SimSci-Esscor®
PRO/II™ 9.0 Keyword Manual
December 6, 2010
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Table of Contents 1 – INTRODUCTION ...................................................................................................... 1 Overview ...................................................................................................................... 1 Who Should Use This Manual? ................................................................................... 2 How Is This Manual Organized?................................................................................. 2 PRO/II Software Upgrades.......................................................................................... 4 Customer Support Centers .......................................................................................... 4 2 – RUNNING PRO/II SOFTWARE .............................................................................. 7 3 – INPUT CONVENTIONS ........................................................................................... 9 Basic Concepts ............................................................................................................ 9 Data Categories ........................................................................................................ 13 Rules and Conventions .............................................................................................. 14 Input Statements ........................................................................................................ 14 Delimiters .................................................................................................................. 15 Dimensional Units ..................................................................................................... 16 Stream and Unit Operation Identifiers and Names ................................................... 17 Read Statement (Optional) ........................................................................................ 17 Annotating Objects with Notes .................................................................................. 18 Examples ................................................................................................................... 19 4 – DIMENSIONAL UNITS .......................................................................................... 21 5 – GENERAL DATA .................................................................................................... 31 Keyword Summary .................................................................................................... 31 General Information .................................................................................................. 33 Input Description ....................................................................................................... 33 Example ..................................................................................................................... 49 6 – COMPONENT DATA KEYWORD SUMMARY ................................................................ 51 Keyword Summary .................................................................................................... 51 General Information .................................................................................................. 55 Input Description ....................................................................................................... 59 7 – REGRESS ................................................................................................................. 61 Keyword Summary .................................................................................................... 61 Input Description ....................................................................................................... 62 8 – THERMODYNAMIC KEYWORD SUMMARY ................................................................. 71 Keyword Summary .................................................................................................... 71
Table of Contents I
Property Statements (optional) .................................................................................. 73 Examples ................................................................................................................... 80 9 – STREAM DATA ....................................................................................................... 83 Keyword Summary .................................................................................................... 83 General Information .................................................................................................. 86 Input Description ....................................................................................................... 88 9.1 – STREAMS WITH DEFINED COMPOSITION ............................................................... 89 Keyword Summary .................................................................................................... 89 Input Description ....................................................................................................... 90 Examples ................................................................................................................... 93 9.2 – STREAMS WITH ASSAY DATA ................................................................................. 95 Keyword Summary .................................................................................................... 95 General Information .................................................................................................. 97 Input Description ....................................................................................................... 98 Examples ................................................................................................................. 111 9.3 – REFERENCE STREAMS........................................................................................... 115 Keyword Summary .................................................................................................. 115 General Information ................................................................................................ 115 Input Description ..................................................................................................... 115 Examples ................................................................................................................. 118 9.4 – STREAMS WITH SOLIDS ........................................................................................ 121 Keyword Summary .................................................................................................. 121 General Information ................................................................................................ 121 Input Description ..................................................................................................... 121 Examples ................................................................................................................. 123 9.5 – STREAM DOCUMENTATION ................................................................................... 125 Keyword Summary .................................................................................................. 125 General Information ................................................................................................ 126 Examples ................................................................................................................. 151 10 – UNIT OPERATIONS: OVERVIEW ............................................................................. 154 10.1 – FLOWSHEET TOPOLOGY ..................................................................................... 156 10.2 – UNIT OPERATION INPUT DATA ........................................................................... 158 Keyword Summary .................................................................................................. 158 Input Description ..................................................................................................... 159 10.3 – FLOWSHEET PARAMETERS ................................................................................. 166 Keyword Summary .................................................................................................. 167 Keyword Description ............................................................................................... 172 Examples: ................................................................................................................ 189 10.4 – SPECIFICATIONS, CONSTRAINTS, AND OBJECTIVES........................................... 190 Keyword Summary .................................................................................................. 190 General Information ................................................................................................ 191 Input Description ..................................................................................................... 192 SPECIFICATION Statements: Stream Standard Volume Rates .............................. 195 Keyword Interface ................................................................................................... 195 Examples ................................................................................................................. 197
Table of Contents II
10.5 – DEFINE .............................................................................................................. 200 Keyword Summary .................................................................................................. 200 General Information ................................................................................................ 200 Input Description ..................................................................................................... 201 DEFINE Statements: Stream Standard Volume Rates ............................................ 203 Examples of Unit Operation DEFINE’s .................................................................. 204 10.6 – CHANGE AND VARY STATEMENTS ................................................................. 206 Keyword Summary .................................................................................................. 206 General Information ................................................................................................ 207 Input Description ..................................................................................................... 208 Examples ................................................................................................................. 210 10.7 – PROCEDURE DATA .............................................................................................. 214 Keyword Summary .................................................................................................. 214 General Information ................................................................................................ 215 Input Description ..................................................................................................... 215 FORTRAN Statements ............................................................................................. 223 Examples ................................................................................................................. 227 10.8 – REACTION DATA ................................................................................................. 231 Keyword Summary .................................................................................................. 231 General Information ................................................................................................ 232 Input Description ..................................................................................................... 233 Example ................................................................................................................... 241 11 – GENERAL UNIT OPERATIONS ................................................................................ 243 Introduction ............................................................................................................. 243 11.1 – FLASH DRUM ....................................................................................................... 245 Keyword Summary .................................................................................................. 245 General Information ................................................................................................ 247 Input Description ..................................................................................................... 247 Examples ................................................................................................................. 251 11. 2 – PUMP ................................................................................................................... 255 Keyword Summary .................................................................................................. 255 General Information ................................................................................................ 255 Input Description ..................................................................................................... 256 Examples ................................................................................................................. 257 11.3 – VALVE .................................................................................................................. 259 Keyword Summary .................................................................................................. 259 General Information ................................................................................................ 259 Input Description ..................................................................................................... 259 Examples ................................................................................................................. 260 11.4 – MIXER .................................................................................................................. 261 Keyword Summary .................................................................................................. 261 General Information ................................................................................................ 261 Input Description ..................................................................................................... 262 Examples ................................................................................................................. 263 11.5 – SPLITTER ............................................................................................................. 265 General Information ................................................................................................ 266
Table of Contents III
Input Description ..................................................................................................... 266 Examples ................................................................................................................. 268 11.6 – COMPRESSOR ...................................................................................................... 269 Keyword Summary .................................................................................................. 269 General Information ................................................................................................ 270 Input Description ..................................................................................................... 271 Examples ................................................................................................................. 275 11.7 – EXPANDER ........................................................................................................... 277 Keyword Summary .................................................................................................. 277 General Information ................................................................................................ 278 Input Description ..................................................................................................... 278 Examples ................................................................................................................. 280 11.8 – PIPE UNIT ............................................................................................................ 281 General Information ................................................................................................ 282 Input Description ..................................................................................................... 283 Examples ................................................................................................................. 291 11.9 – BLEND UNIT......................................................................................................... 295 General Information ................................................................................................ 295 Input Description ..................................................................................................... 295 Examples ................................................................................................................. 297 11.10 – RESET UNIT ....................................................................................................... 299 Keyword Summary .................................................................................................. 299 General Information ................................................................................................ 299 Input Description ..................................................................................................... 300 Examples ................................................................................................................. 301 11.11 – COMPONENT PROPERTY REPORTER ................................................................ 303 Keyword Summary .................................................................................................. 303 General Information ................................................................................................ 303 Input Description ..................................................................................................... 303 11.12 – CAPE-OPEN ....................................................................................................... 305 Keyword Summary .................................................................................................. 305 General Information ................................................................................................ 305 Keyword Description ............................................................................................... 306 Examples ................................................................................................................. 306 11.13 – MEMBRANE SEPARATOR ................................................................................... 309 Keyword Summary .................................................................................................. 309 General Information ................................................................................................ 309 Input Description ..................................................................................................... 310 11.14 – POLYMER ELECTROLYTE FUEL CELL ............................................................. 313 Keyword Summary.................................................................................................. 313 General information ................................................................................................ 314 Terminology............................................................................................................. 315 12 – DISTILLATION......................................................................................................... 317 Introduction ............................................................................................................. 317 12.1 – COLUMN INPUT ................................................................................................... 321 Keyword Summary .................................................................................................. 321
Table of Contents IV
Conventions ............................................................................................................. 330 Input Description ..................................................................................................... 332 Column Parameters (required) ............................................................................... 333 Examples ................................................................................................................. 364 12.2 – IO ALGORITHM .............................................................................................. 369 Keyword Summary .................................................................................................. 369 Thermodynamic Set Selection.................................................................................. 375 General Information ................................................................................................ 375 Input Description ..................................................................................................... 377 Examples ................................................................................................................. 385 12.3 – SURE ALGORITHM ............................................................................................. 387 Keyword Summary .................................................................................................. 387 General Information ................................................................................................ 391 Input Description ..................................................................................................... 392 Examples ................................................................................................................. 394 Example ................................................................................................................... 395 12.4 – CHEMDIST ALGORITHM .................................................................................. 397 Keyword Summary .................................................................................................. 397 General Information ................................................................................................ 402 Input Description ..................................................................................................... 402 Examples ................................................................................................................. 411 12.5 – REACTIVE DISTILLATION ................................................................................ 413 Keyword Summary .................................................................................................. 413 Reaction Data Category .......................................................................................... 414 General Information ................................................................................................ 415 Input Description ..................................................................................................... 417 Examples ................................................................................................................. 426 12.6 – ENHANCED IO ALGORITHM ............................................................................... 431 Keyword Summary .................................................................................................. 431 General Information ................................................................................................ 437 Input Description ..................................................................................................... 438 Examples ................................................................................................................. 444 12.7 – COLUMN HYDRAULICS........................................................................................ 445 Keyword Summary .................................................................................................. 445 General Information ................................................................................................ 448 Input Description ..................................................................................................... 449 Examples ................................................................................................................. 457 General Information - Random Packing ................................................................. 458 Input Description ..................................................................................................... 460 Examples ................................................................................................................. 467 General Information - Structured Packing .............................................................. 469 Input Description – Structured Packing .................................................................. 473 12.8 – SHORTCUT DISTILLATION................................................................................... 481 Keyword Summary .................................................................................................. 481 General Information ................................................................................................ 482 Input Description ..................................................................................................... 483
Table of Contents V
Examples ................................................................................................................. 487 12.9 – LIQUID-LIQUID EXTRACTION ............................................................................. 491 Keyword Summary .................................................................................................. 491 General Information ................................................................................................ 493 Input Description ..................................................................................................... 494 Examples ................................................................................................................. 504 12.10 – RATEFRAC® ALGORITHM .............................................................................. 505 General Information ................................................................................................ 511 Input Description ..................................................................................................... 519 Performance Specifications and Variables ............................................................. 530 13 - HEAT TRANSFER ..................................................................................................... 537 13.1 – SIMPLE HEAT EXCHANGER ................................................................................ 539 Keyword Summary .................................................................................................. 539 General Information ................................................................................................ 541 Input Description ..................................................................................................... 541 Examples ................................................................................................................. 552 13.2 – RIGOROUS HEAT EXCHANGER ........................................................................... 555 Keyword Summary .................................................................................................. 555 General Information ................................................................................................ 558 Input Description ..................................................................................................... 558 Examples ................................................................................................................. 579 13.3 – LNG HEAT EXCHANGER .................................................................................... 583 Keyword Summary .................................................................................................. 583 General Information ................................................................................................ 584 Input Description ..................................................................................................... 585 Examples ................................................................................................................. 590 13.4 – AIR COOLED HEAT EXCHANGER .................................................................... 593 Keyword Summary .................................................................................................. 593 General Information ................................................................................................ 593 Input Description ..................................................................................................... 593 Examples ................................................................................................................. 602 13.5 – FURNACE ............................................................................................................. 605 Keyword Summary .................................................................................................. 605 Input Description ..................................................................................................... 606 Examples ................................................................................................................. 610 14 - REACTORS ............................................................................................................... 611 14.1 – EQUILIBRIUM REACTOR ..................................................................................... 613 Keyword Summary .................................................................................................. 613 General Information ................................................................................................ 614 Input Description ..................................................................................................... 615 Examples ................................................................................................................. 621 14.2 – CONVERSION REACTOR ...................................................................................... 625 Keyword Summary .................................................................................................. 625 General Information ................................................................................................ 626 Input Description ..................................................................................................... 627 14.3 – GIBBS REACTOR ................................................................................................ 635
Table of Contents VI
Keyword Summary .................................................................................................. 635 General Information ................................................................................................ 636 Input Description ..................................................................................................... 637 Examples ................................................................................................................. 645 14.4 – PLUG FLOW REACTOR ........................................................................................ 649 Keyword Summary .................................................................................................. 649 General Information ................................................................................................ 651 Input Description ..................................................................................................... 653 Examples ................................................................................................................. 664 14.5 – CSTR ................................................................................................................... 667 Keyword Summary .................................................................................................. 667 General Information ................................................................................................ 669 Input Description ..................................................................................................... 669 Examples ................................................................................................................. 678 15 – SOLIDS .................................................................................................................. 683 15.1 – SOLIDS DRYER ................................................................................................ 685 Keyword Summary .................................................................................................. 685 Input Description ..................................................................................................... 686 Examples ................................................................................................................. 690 15.2– ROTARY DRUM FILTER........................................................................................ 691 Keyword Summary .................................................................................................. 691 General Information ................................................................................................ 692 Input Description ..................................................................................................... 692 Examples ................................................................................................................. 695 15.3 – FILTERING CENTRIFUGE..................................................................................... 697 Keyword Summary .................................................................................................. 697 General Information ................................................................................................ 698 Input Description ..................................................................................................... 698 Examples ................................................................................................................. 701 15.4 – COUNTER- CURRENT DECANTER ........................................................................ 703 Keyword Summary .................................................................................................. 703 General Information ............................................................................................... 704 Input Description ..................................................................................................... 705 Examples ................................................................................................................. 707 15.5 – DISSOLVER........................................................................................................... 709 Keyword Summary .................................................................................................. 709 General Information ................................................................................................ 710 Input Description ..................................................................................................... 710 Examples ................................................................................................................. 713 15.6 – CRYSTALLIZER .................................................................................................... 715 Keyword Summary .................................................................................................. 715 General Information ................................................................................................ 716 Input Description ..................................................................................................... 717 Examples ................................................................................................................. 721 15.7 – MELTER / FREEZER ............................................................................................. 723 Keyword Summary .................................................................................................. 723
Table of Contents VII
General Information ................................................................................................ 724 Input Description ..................................................................................................... 724 Examples ................................................................................................................. 727 15.8 – SOLIDS SEPARATOR............................................................................................. 729 Keyword Summary .................................................................................................. 729 General Information ................................................................................................ 729 Input Description ..................................................................................................... 729 15.9 – CYCLONE ............................................................................................................. 731 Keyword Summary .................................................................................................. 731 General Information ................................................................................................ 731 Keyword Description ............................................................................................... 733 Example ................................................................................................................... 741 15.10 – SOLIDS REMOVAL ............................................................................................. 742 Keyword Summary .................................................................................................. 742 General Information ................................................................................................ 743 Input Description ..................................................................................................... 743 16 – UTILITY UNITS ....................................................................................................... 745 Overview .................................................................................................................. 745 16.1 – CALCULATOR ...................................................................................................... 747 Keyword Summary .................................................................................................. 747 General Information ................................................................................................ 748 Input Description ..................................................................................................... 748 Fortran Statements .................................................................................................. 752 Examples ................................................................................................................. 761 16.2 – STREAM CALCULATOR ....................................................................................... 765 Keyword Summary .................................................................................................. 765 General Information ................................................................................................ 767 Input Description ..................................................................................................... 768 Examples ................................................................................................................. 775 16.3 – HEATING/COOLING CURVES .............................................................................. 777 Keyword Summary .................................................................................................. 777 General Information ................................................................................................ 779 Input Description ..................................................................................................... 779 Examples ................................................................................................................. 786 16.4 – PHASE ENVELOPE................................................................................................ 787 Keyword Summary .................................................................................................. 787 General Information ................................................................................................ 787 Input Description ..................................................................................................... 788 Examples ................................................................................................................. 790 16.5 – HYDRATE ANALYSIS............................................................................................ 791 Keyword Summary .................................................................................................. 791 General Information ................................................................................................ 791 Input Description ..................................................................................................... 791 Evaluation Conditions ............................................................................................. 791 Example ................................................................................................................... 793 16.6 – BINARY VLE/ LLE DATA ................................................................................... 795
Table of Contents VIII
Keyword Summary .................................................................................................. 795 General Information ................................................................................................ 795 Input Description ..................................................................................................... 796 Examples ................................................................................................................. 797 16.7 – HEXTRAN PROPERTY DATA GENERATOR....................................................... 799 Keyword Summary .................................................................................................. 799 General Information ................................................................................................ 800 Input Description ..................................................................................................... 800 Example ................................................................................................................... 804 16.8 – COMPONENT LUMPING UNIT .............................................................................. 805 Keyword Summary .................................................................................................. 805 General Information ................................................................................................ 805 Input Description ..................................................................................................... 806 Examples ................................................................................................................. 807 16.9 – CHECK SOLIDS................................................................................................ 809 Keyword Summary .................................................................................................. 809 General Information ................................................................................................ 809 Input Considerations ............................................................................................... 809 Calculation Considerations ..................................................................................... 810 Examples ................................................................................................................. 811 16.10 – UPSTREAM UNIT OPERATION ........................................................................... 813 Keyword Summary .................................................................................................. 813 General Information ................................................................................................ 814 Input Description ..................................................................................................... 815 Mode-Specific Input................................................................................................. 819 Examples ................................................................................................................. 821 17 – CONTROLLERS & EXECUTION CONTROL ............................................................. 826 Overview .................................................................................................................. 827 17.1 – FEEDBACK CONTROLLER ................................................................................... 829 Keyword Summary .................................................................................................. 829 General Information ................................................................................................ 830 Input Description ..................................................................................................... 830 Examples ................................................................................................................. 833 17.2 – MULTI-VARIABLE CONTROLLER ....................................................................... 835 Keyword Summary .................................................................................................. 835 General Information ................................................................................................ 836 Input Description ..................................................................................................... 836 Examples ................................................................................................................. 839 17.3 – FLOWSHEET OPTIMIZER ..................................................................................... 841 General Information ................................................................................................ 843 Input Description ..................................................................................................... 844 Examples ................................................................................................................. 852 17.4 – RECYCLE ............................................................................................................. 859 Keyword Summary .................................................................................................. 859 General Information ................................................................................................ 859 Input Description ..................................................................................................... 863
Table of Contents IX
Examples ................................................................................................................. 865 18.1 – RESTART ........................................................................................................... 867 Keyword Summary .................................................................................................. 867 General Information ................................................................................................ 869 Input Description ..................................................................................................... 869 Examples ................................................................................................................. 873 18.2 – CASE STUDY ..................................................................................................... 877 Keyword Summary .................................................................................................. 877 General Information ................................................................................................ 879 Input Description ..................................................................................................... 880 Guidelines................................................................................................................ 888 Example ................................................................................................................... 894 18.3– INTERACTIVE EXECUTION ................................................................................... 897 VIEW and CHANGE Flowsheet Data ..................................................................... 900 CHANGE Stream Considerations ........................................................................... 905 CHANGE Column Considerations .......................................................................... 905 19 – BATCH PROCESSING ........................................................................................ 907 19.1 – DEPRESSURING UNIT .................................................................................... 909 Keyword Summary .................................................................................................. 909 General Information ................................................................................................ 911 Input Description ..................................................................................................... 912 Examples ................................................................................................................. 925 19.2 – BATCH DISTILLATION ................................................................................. 927 General Information ................................................................................................ 934 Input Conventions.................................................................................................... 936 Input Description ..................................................................................................... 938 Operation Policy ..................................................................................................... 954 SPECIFICATION and VARIABLE Statements ........................................................ 964 19. 3 – BATCHFRAC® ALGORITHM ....................................................................... 967 Keyword Summary .................................................................................................. 967 Operation Policy Specifications (required) ............................................................. 972 General Information ................................................................................................ 979 Input Description ..................................................................................................... 980 20 – PIPEPHASE UNIT OPERATION (PPUOP) .................................................... 1007 Keyword Summary ................................................................................................ 1007 General Information .............................................................................................. 1007 Input Description ................................................................................................... 1007 Example:................................................................................................................ 1010 21 – TAGGED DATA ...................................................................................................... 1011 General Information .............................................................................................. 1011 21.1 –TAG / RAW DATA FILES ............................................................................... 1013 Process Tag/Raw Data .......................................................................................... 1013 Entering the Date .................................................................................................. 1013 Example ................................................................................................................. 1013 Entering the Tags .................................................................................................. 1013 Comments .............................................................................................................. 1013
Table of Contents X
Keyword Summary ................................................................................................ 1014 21.2 – TAG DATA INPUT REQUIREMENTS ................................................................... 1015 Keyword Summary ................................................................................................ 1015 General Information .............................................................................................. 1016 Input Description ................................................................................................... 1017 Examples ............................................................................................................... 1023
Table of Contents XI
1 – Introduction Overview PRO/II™ software is a comprehensive computer simulation system targeted for process engineers in the chemical, petroleum, natural gas, solids processing, and polymer industries. It combines the data resources of a large chemical component library and extensive thermodynamic property prediction methods, with the most advanced and flexible unit operations techniques. It provides the process engineer with the computational facilities to perform all mass and energy balance calculations needed to model most steady-state processes. PRO/II software supports two basic user interfaces. Keywords and a Graphical User Interface (GUI for short). This manual presents an extensive description of the keyword data input requirements for Version 9.0 of the PRO/IIP simulation program. Keyword data allow direct entry of instructions in a language understood by both the user and the program. It is suitable for both batch and interactive execution. ®
PROVISION software is the interactive Windows™ compliant Garphical User Interface for PRO/II software. It is described in the PRO/II User Guide.
Where Can I Find Additional Help? If You Want To . . . Learn how to install PRO/II software on your computer Quickly learn the basics of PRO/II software Quickly learn how to simulate a simple flowsheet using PRO/II software Obtain detailed information on the capabilities and use of PRO/II software Obtain basic information on the calculation methods used in PRO/II software Read more detailed information on the calculation methods used in PRO/II software See simulation examples for chemical, solid processing, petrochemical, batch, and electrolyte applications
Chapter 1
See . . . The PRO/II PC/LAN Installation Guide The PRO/II Quick Reference Card The PRO/II Tutorial Guide The PRO/II User’s Guide
The Online help
The PRO/II Reference Manual
The PRO/II Application Briefs Manual
INTRODUCTION--1 1
Who Should Use This Manual? Anyone executing PRO/II software using keyword data entry should use this manual. The MS Windows graphical user interface version of PRO/II software generates a keyword file as part of the output of a simulation. This keyword file is an ASCII representation of the simulation and can be archived or transferred from one user to another or from one operating system or platform to another. Users of PRO/II’s graphical user interface will find this manual useful as a reference in interpreting the keyword representation of the simulation. New users should find this book easy to master. The introductory and general information chapters and examples are especially helpful. Experienced users will appreciate the comprehensive coverage and expert advice. Those who wish to explore the full capabilities of the program will find a vast array of features to investigate. Proficient users usually use the manual as a desktop reference. For users of an earlier version of PRO/II software (or its predecessor, PROCESS), this manual will help make a smooth transition to the current version. Users should note that there are no radical changes to the keyword interface.
How Is This Manual Organized? Overall, the organization of the manual reflects the steps typical in the creation of a keyword input file. Tabs partition the manual into subjects that correspond to major chapters of an input file. Smaller chapters subdivide the major subjects into manageable, readily available parts. Each chapter focuses on the input requirements of a particular feature. Early chapters deal with data required by all input files, including General, Component, Thermodynamic, Stream, and general Unit Operations Data. An effective user must be familiar with the minimum requirements in these chapters. Later chapters deal with individual types of unit operations. The user may skip chapters describing unit operations that are not of current interest. Chapters near the end of the manual describe advanced features such as optimizers, controllers, recycle control, restart, and case studies. The following is an example of a typical problem. It illustrates the correspondence between the organization of the manual and the structure of an input file. Sample Keyword TITLE PROJECT=KW MANUAL, PROB=DEMO1 DESCRIPTION FLASH F2 TEMP= 10 DEGREES DIMENSIONS ENGLISH
Chapter 1
Keyword Manual Chapter 5
INTRODUCTION--2 2
Sample Keyword
Keyword Manual
COMPONENT DATA LIBID 1, N2/ 2, CO2 / 3, C1 / 4, C2 / & 5, C3/ 6, IC4/ 7, NC4/ 8, NC5/ 9, NC6 PETRO 10, BP135, 120, 0.757, 135 / & 11, BP260, 200, 0.836, 260
Chapter 6 and Chapters 1.2 - 1.4 of the SIMSCI Component and Thermodynamic Data Input Manuals
THERMODYNAMIC DATA METHOD SYSTEM= SRK, SET=SET01
Chapter 8, and Chapters 1 -.9 of the Thermodynamic Data Keyword Manual
STREAM DATA PROP STREAM= 1, TEMP= 200, & PRESSURE= 2000, & COMP= 180 / 190.9 / 1443 / 902.1 / 721.9 / & 76.57 / 279.4 / 94.77 / 162.4 / 153.3 /1191 PROP STREAM= FD-1, TEMP= 40, & PRESSURE= 2000, & COMP(M)= 4, 4000 / 5, 8000 / 6, 4000 NAME 1, MAIN FEED / FD-1, SEC-FEED
Chapters 9, 9.1
UNIT OPERATIONS
Chapter 10.2
HX UID= HX1, NAME= AFTERCOOL-1 HOT FEED= 1, 7, V= 4, METHOD= SET01 COLD FEED= FD-1, V= PR-2, METHOD= SET01 OPER HTEMP= 90 CONFIG AREA= 5000, FT= 0.95
Chapter 13.1
FLASH UID= F2, NAME= STAGE 1 SEP FEED 4 PROD V= 6, L= 5 ISO TEMP= 10, PRESSURE = 1000
Chapter 11.1
SPLITTER UID= SP1, NAME= UNIT-SP1 FEED 5 PROD M= 7, M= 8 SPEC STREAM= 7, RATE(M), RATIO, & REFFEED, RATE(M), VALUE= 0.1
Chapter 11.5
Each chapter provides complete information about a specific program feature. First is a summary of all available keywords. Next is some general information, followed by a detailed discussion of the input requirements. Usually, each chapter ends with a few illustrative examples. After becoming familiar with a PRO/II feature, the user normally needs to refer only to the Keyword Summary, and less frequently to the in-depth information that follows. The Keyword Summary presents the form of all keyword statements described in a chapter. It serves as a quick overview of input requirements without having to
Chapter 1
INTRODUCTION--3 3
refer to the detailed material that follows. A quick inspection reveals all valid combinations of statements, keywords, and data entries. It shows all available options and indicates which data is required, optional or conditional. General Information is the second part of each chapter. This is the introductory material that imparts a general understanding of the purpose and capabilities of the feature. Input Description is a detailed explanation of all statements shown in the Keyword Summary. It discusses every available keyword and data entry. It is an in-depth presentation of the do’s and don’ts of using the feature and clearly describes the purpose and use of every entry on each statement. Examples, the last part of each chapter includes instructive demonstrations of typical applications. Normally, each example begins with a statement of problem conditions. Next comes a sample of the actual keyword input that satisfies the stated conditions. Comparing the sample input to the problem statement is often a quick way to become familiar with a new feature.
PRO/II Software Upgrades PRO/II software is constantly evolving through continuous development work that enhances existing capabilities and adds new ones. While great effort is made to maintain compatibility with earlier versions, complete agreement is not always possible. These considerations make it important to use the version of the manual that applies to the version of the program in use. Input manual updates are available with each release. This manual is based on Version 9.0, released in 2010. The best source of information about programs, manuals, and other SimSci™ products is a SimSci representative.
Customer Support Centers Invensys SimSci personnel, agents, and representatives provide technical support for the PRO/II simulation program around the world. Please contact any SimSci service center, agent, or representative for information, and consultation about PRO/II software or any other SimSci products. USA and Canada Invensys Process Systems (SimSciEsscor) 10900 Equity Drive Houston, TX 77041 Tel: +1 800 SIMSCI 1 + 1 713 329 1700
[email protected]
Chapter 1
USA East Coast Invensys Process Systems (SimSci-Esscor) Gateway Corporate Center, Suite 304, 223, Wilmington-West Chester Pike, Chaddsford, PA 19317 Tel: +1 800 SIMSCI 1 +1 484 840 9407
[email protected]
INTRODUCTION--4 4
Invensys Systems, Inc. (SimSci-Esscor) 26561 Rancho Parkway South Suite 100 Lake Forest, CA 92630 Tel: +1 800 SIMSCI 1
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United Kingdom Invensys Process Systems (UK) Ltd. Invensys Systems (UK) Limited The Genesis Centre, Birchwood Science Park, Birchwood, Warrington United Kingdom WA3 7BH Tel: + 44 (0) 1925 811469
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Chapter 1
Calle 100 # 36-39 Int. 4-203, Bucaramanga, SDER Tel: +57 315 384 5955
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INTRODUCTION--5 5
India
Asia-Pacific
Tel: +91 243 3762
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Invensys Software Systems (S) Pte Ltd 15, Changi Business Park Central 1 Singapore 486057 Tel: +65 6829 8657
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Australia and New Zealand
China
Invensys Performance Solutions Level 2-4, 810 Elizabeth Street Sydney 2017, Australia Tel: +61 2 8396 3626
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Invensys Process Systems (China) Co., Ltd Invensys Process Systems (China),No. 211, Huancheng Road East, Fengpu Industrial Park, Shanghai 201400 Tel: + 86 21 3718 0000, Ext. 5912
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Japan
Korea
Invensys Systems Japan nd 2 Fl. HarborOne Building, 2-5-5 Higashi Shinagawa, Shinagawa-ku Tokyo 140-0002, Japan Tel: +81 3 5793 4856
[email protected]
Invensys Systems Korea 6F, Dongsung B/D, 17-8, Yeouido-dong, Seoul, 150-874 Tel: + 82-32-540-0665 support.kr @invensys.com Home Page: http://www.simsci.com
Chapter 1
INTRODUCTION--6 6
2 – Running PRO/II Software General Information PRO/II software operates on a broad range of computer platforms. The PRO/II keyword file is the common input language that allows transferring input data to any computer. Within the tolerances afforded by the compilers used on each computer, the same input file will always produce the same results, regardless of where the calculations are executed. PRO/II software usage may be divided into two broad classes of users: 1. PRO/II Graphical User Interface (GUI) users 2. Keyword users.
GUI Users Refer to the PRO/II 9.0 Installation Guide for usage and system requirements.
Keyword Users (PC and Workstation) Please refer to the installation guide, which accompanies your particular version.
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RUNNING PRO/II 8
3 – Input Conventions Basic Concepts This section defines a few basic terms required to discuss keyword input. The following sections present the syntactical rules of the input language.
Data Entries Data entries (or simply “entries”) are the basic constructs used to enter input data. An entry may consist of a keyword, numeric data, or a combination of both. Most entries begin with a keyword. Entries enclosed in braces are always optional. Entries having a default value or default setting are optional, even when no braces are present.
Numeric Data Numeric data are integer or floating-point (“real”) numbers. A floating-point value may include a decimal fraction, while an integer cannot. In this manual, an argument or entry represented by the word “value” may be a floating-point number of any value (subject to any imposed constraints). Other markers, such as “i”, “j”, “cno”, “idno”, etc., indicate integer values. An integer entered for a floating-point value is converted to its floatingpoint form; but a floating-point value entered in place of an integer causes an error. When you do not supply any value, the specific numeric value shown is the default value used. Any entry having a default is optional, even when not otherwise shown (such as by enclosing the entry in braces). Decimal points are not required for whole numbers, and scientific (E) notation may be used for any floating-point number. For example: PROP STREAM= 1, TEMP=100, PRESSURE= 14.7E0, COMP=1, 1E2
Keywords A keyword is a mnemonic word that identifies a category, a statement, or a datum in the input. Most keywords may be abbreviated to the first four characters and only these four characters need to be spelled correctly. There are a few exceptions to this rule, but they are well documented in this manual. For example, the following two statements are equivalent and valid, despite the misspelling of ‘‘METRIC’’. DIMENSION METRIC DIME METRISCH
Chapter 3
(valid) (valid)
INPUT CONVENTIONS 9
Keywords less than four characters are interpreted as complete when the full key word is read. OPERATION PRESSURE(PASCAL)= 1.0 Is read as: OPERATION PRESSURE(PA)= 1.0 since PA is a valid keyword for Pascal. A keyword that stands alone is a complete entry that acts as a switch. The mere presence of the keyword ‘‘turns on’’ the option it represents. If underlined, the keyword is the default choice and is optional. Some keywords require one or more arguments. An equal sign (=) and a representation of the argument immediately follow all keywords that require arguments. Sometimes keywords act as arguments to other key words. Normally in this case, one keyword selected from a set of choices serves as the argument. If a default exists, it usually appears underlined as the first keyword in the set. Underlined keywords, shown as arguments, indicate default settings and consequently are always optional. For example:
Documented Form PRINT RATE= M or WT or LV, {TBP}
Sample Input PRINT RATE= WT
The only choices for the argument of RATE are the keywords M, WT, or LV. The entire “RATE= M or WT or LV” entry is optional, since RATE=M is used by default when the entire entry is missing. Since a default is present, no braces appear to show that the entry is optional. The TBP entry is optional (because of the braces). Omitting this entry turns “off” the TBP option, since TBP is not underlined and not a default selection.
Qualifiers A qualifier modifies or enhances a keyword. It always follows immediately after the keyword and precedes an equal sign. It is always optional and always appears enclosed in parentheses. Qualifiers may be keywords, perhaps representing dimensional units, or integers, depending upon the usage. Some qualifiers may include several items, but rarely allow a floating-point value. As an example:
Documented Form OPERATION DP(upres)= 0.0
Sample Input OPER DP(PSI)= 5.0
In this example, the word “upres” in parentheses following keyword DP shows the availability of an optional dimensional units qualifier. Since DP represents pressure drop
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INPUT CONVENTIONS 10
(or pressure difference), “upres” is used to represent any keyword from the “pressure” class (actually the “pressure difference” class) of dimensional units (see Table 4.2). When the user omits the DP entry (or the entire statement) from the input file, the default value for pressure drop is zero. This is shown in the documented form of the keywords. The above sample input specifies a pressure drop of five pounds per square inch instead of the default value of zero (shown in the documented form). Each qualifier of this type is described in the “Input Description” section that defines the particular keyword. Some of the more commonly used qualifiers are: unit
This should be replaced by a keyword representing a dimensional unit from an appropriate dimensional unit class. Alternate entries take the form “uxxxx” where “xxxx” are characters that represent the dimenisonal class. For example, “utemp” indicates a temperature unit while upres represents a pressure unit.
basis
This qualifier represents a pseudo-class of dimensional unit that includes keywords M (molar), WT (weight), LV (liquid volume), and GV (gas or vapor volume). Normally, the default basis is M (molar).
i, j
Component numbers are assigned in the Component Data section of input.
Idno
An integer value assigned to identify an item such as a cell in an LNG heat exchanger, or a heater/cooler in a distillation column.
Arguments An argument supplies additional data required by certain keywords. In these cases, the argument always follows the equal sign after the keyword. Specific numeric values shown as arguments represent default values. When no default value exists, “value”, “i”, “text”, “option”, or another indefinite marker shows the type of argument required. For example: DOCUMENTED FORM TITLE {PROJECT= text}
SAMPLE OF ACTUAL INPUT TITLE PROJ= Sample One
TITLE is a required stand-alone keyword that identifies the statement and does not require an argument. The “PROJECT= text” entry is optional, as shown by the braces. Keyword PROJECT could be truncated to PROJ, the first four characters. The equal sign separates keyword PROJECT from its argument, while “text” shows that any text may serve as the argument. When the entries on a data line must follow a fixed order, keywords are not needed (and therefore not used). For example: DOCUMENTED FORM LIBID i, name {/ j,name/...} SEQUENCE uid, {uid, ...}
Chapter 3
SAMPLE OF ACTUAL INPUT LIBID 1,CO2/ 2,H2S/3,C1 SEQU F1, F2, E1, T101
INPUT CONVENTIONS 11
Defaults Defaults are assumed values or settings for essential data that otherwise are missing from an input file. They usually are reasonable assumptions for typical applications and are available for many data entries. Depending on the type of data, a default may be a specific numeric value, either integer or fractional, or a keyword indicating a default option. Any entry having a default is always optional. When a default is acceptable, no input is required for that entry. In this manual, the following conventions indicate defaults: 1.
An underlined stand-alone keyword,
2.
A single argument to a keyword,
3.
An underlined keyword argument, in a list, or
4.
The presence of a specific numeric value.
For example: DIMENSION
ENGLISH or METRIC or SI ...
Each keyword in this example stands alone, and does not have an argument or a qualifier. As the first keyword shown, DIMENSION is required to identify the statement. ENGLISH is the default system of dimensional units, as indicated by the underline. OPERATION
XOPTION=CONTINUE
Entry XOPTION is optional, since it includes a default argument “CONTINUE”. This setting indicates that calculations continue even after errors occur. OPERATION
TMIN (K) =0.0
The minimum allowable temperature is 0.0 K by default. HX
{ZONES= 5}
The keyword ZONES is optional and defaults to “off”, as indicated by the brackets. Entering ZONES without an argument value defaults to five zones used for zone analysis.
Dependency and Mutual Exclusion Text in italics is not part of the input language, and appears only to show dependency or mutual exclusion among entries. This applies most often to the words “or” and “and.” Entries separated by “or” are mutually exclusive. Entries separated by “and” must all appear if any are used. When neither “or” nor “and” separates entries, no dependency or exclusion exists. A group of entries may exclude (or require) other entire groups of entries. Entries in each group appear together, and are single spaced when they occupy more than one line. Blank lines separate each group from other groups. The presence of “or” or “and” on the blank line indicates exclusion or dependency between the groups.
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INPUT CONVENTIONS 12
Data Categories Input data are divided into the categories listed in Table 3.1. Each category of data and each unit operation are discussed in a separate section of this manual. Each section contains a list of the available keywords and a discussion of their use. Refer to Section 18.1, “Restart”, for alternate input requirements when restarting a problem using keyword input.
TABLE 3.1 CATEGORIES OF INPUT DATA Data Category
Category Heading Statement
Status
General Data
TITLE
required
Component Data
COMPONENT DATA
required
Thermodynamic Data
THERMODYNAMIC DATA
required
Stream Data
STREAM DATA
required
Reaction Data
RXDATA
optional
Procedure Data
PROCEDURE DATA
optional
Unit Operations Data
UNIT OPERATIONS DATA
required
Recycle Data
RECYCLE DATA
optional
Case Study
CASESTUDY
optional
The categories must appear in the order shown in Table 3.1. Statements within each category may appear in any order, subject to the following restrictions: 1. The first statement of each data category must be the category heading statement. Refer to Table 3.1. 2. For thermodynamic data, all statements used to describe each thermodynamic set must be grouped together. 3. For stream data, all assay data for a stream must be grouped together (after the PROPERTY statement for the stream). 4. For unit operations data, the first statement of each module must be the module heading statement. All other statements that define the module must be grouped together immediately following the heading statement. 5. An optional statement consisting only of the word END terminates the input file. Any data after the END statement are ignored.
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INPUT CONVENTIONS 13
Rules and Conventions This section discusses the rules and conventions of the keyword input language. Below is a sample of a keyword input file that illustrates the order of keyword data entry: TITLE PROJ=COMPRESSOR, PROBLEM=TEST RUN, & USER=SIMSCI,DATE=9-18-97 DIMENSION METRIC COMP DATA LIBID 1, WATER / 2, METHANE / 3, ETHANE / 4, PROPANE THERMODYNAMIC METHOD SYSTEM=SRK STREAM DATA PROP STREAM=1, PHASE=V, PRESSURE(PSIA)=400, & COMPOSITION(M)=82 / 1043/813 / 412 UNIT OPERATION DATA HX UID=1, NAME=FEED COOLER HOT FEED=1, V=2, L=3, DP=10 OPERATION HTEMP(F)=40 $ COMPRESSOR UID=2, NAME=1ST STAGE FEED 2 PROD V= 4 OPER POUT=1200, EFF=79 END
Input Statements Entries are grouped together to form statements. Within each category, there are one or more statements. Each statement includes one or more lines of data; each line may consist of one or more data entries. The term “line” refers to an 80-column line of data. If an input statement requires more than 80 characters, continuation lines must be used. The first keyword shown on each statement is required to identify the type of statement, and must always be followed by a space. Other keywords and entries may occur in any order; those shown enclosed in braces (i.e., { }) are always optional. For example, the following two lines are equivalent: PROPERTY STREAM=1, TEMP=100, PRESSURE=100, COMP=1,100 PROP COMP=1,100, PRESSURE=100, TEMP=100, STREAM=1 The exceptions to this rule are the SPECIFICATION, CONSTRAINT, and OBJECTIVE statements, which are order dependent. Blanks may be inserted before or after any keyword or data entry, but not inside the keyword or entry. For example:
Chapter 3
INPUT CONVENTIONS 14
DIME PRESSURE=KG/CM2, TEMP=F DIME PRESSURE= KG/CM2, TEMP= F DIME PRESSURE=KG/ CM2, TEMP=F
(valid) (valid) (invalid)
One exception to this rule is that alphanumeric entries used for names and descriptions may have embedded blanks. These include all entries on the TITLE statement, the DESCRIPTION statement, and all NAME entries. For example: TITLE PROJECT=INPUT MANUAL, DATE=TODAYS DATE 2009 DESC INPUT CONVENTIONS EXAMPLE STREAM DATA NAME 1, FEED STREAM / 2, TOP PRODUCT Any entry that exceeds the maximum length allowed by the program is truncated. For example, the DATE is limited to 12 characters (including blanks); therefore, the entry in the previous example would be truncated to “TODAYS DATE ”. For multiple data entries in a predefined order, embedded commas must be used as placeholders for omitted intermediate entries. For example: PETROLEUM 1, TBP285, 103.4, 49.2, 295.0 / & 2 ,,, 48.4, 300.0 / ... In this case, the name and molecular weight are missing for component 2. The embedded commas must be present to maintain the proper sequential order of information. In a few places where an unambiguous interpretation is possible, there are exceptions to this rule noted at appropriate places in this manual.
Delimiters Seven special characters act as delimiters for keyword input. These delimiters are a required part of the input syntax and must be used only for the purposes described below.
=
The equal sign associates an argument with a keyword. In the Procedure Data Category and CALCULATOR module, the equal sign separates the left and right-hand sides of assignment statements.
,
The comma separates entries from each other. Often a blank space may serve the same purpose, but the use of commas helps avoid ambiguity.
/
The slash (or virgule) separates groups of data in the same entry. Use commas to separate individual items in a group.
&
An ampersand entered at the end of a line indicates continuation of a statement on the following line. Any data appearing on the same line to the right of the ampersand are ignored.
When continuing a statement onto a subsequent line, place the ampersand after a complete entry or group, never between a keyword and its argument, or in the middle of a keyword. The continuation line must begin with a new keyword or data entry, and
Chapter 3
INPUT CONVENTIONS 15
must not begin with a delimiter, part of a keyword, or part of a numeric value. For example:
VALID PROP & STREAM=1, TEMP=100, & PRESSURE=14.7,COMP=1, 100 / & 3, 25 / 66.3 / 33.1
INVALID PROP ST& REAM=1, TEMP & =10& 0,PRESSURE=14.7, COMP=1, 10 & 0 / 3, 25 / 66 & .3 / 33.1
*
Within the body of the PROCEDURE section of a CALCULATOR module, an asterisk indicates multiplication, while two asterisks together (i.e., ** ) indicate exponentiation. Anywhere else in the input file, an asterisk may appear in place of an ampersand to show continuation.
$
A dollar sign marks the beginning of a comment, and anything to the right of the “$” is ignored. Therefore, any continuation mark (“&” or “*”) appearing on the same line to the right of the “$” is ignored. When the dollar sign appears as the first character of a line, the entire line is treated as a comment.
( )
Parentheses enclose qualifiers of keywords. They are required whenever a qualifier is entered.
In the absence of a delimiter, the input processor interprets blank spaces between a keyword and its arguments (or between two entries) as an “=” or “,”. The use of delimiters is recommended for clarity, especially when entering descriptive text containing embedded blanks.
Dimensional Units Any keyword that has units of measurement allows an optional qualifier that defines the dimensional units used for data entry. The qualifier appears in parentheses after the keyword. For example: PROP STREAM=1, TEMP(C)=100, PRESSURE(PSIA)=14.7, & COMP(M)=100 In the General Data Category, the user defines a default set of dimensional units that are used globally when the units are not supplied as a part of an entry. These global units often are referred to as problem units, input units, or problem input units. Dimensional units declared as keyword qualifiers act as local overrides to the global set. Complete tables of all keywords for all classes of dimensional units are shown in Section 4, “Dimensional Units”.
Chapter 3
INPUT CONVENTIONS 16
All heater-cooler duties are entered in millions of energy units per time. All enthalpy data is entered either in energy units per weight unit or in thousands of energy units per mole.
Stream and Unit Operation Identifiers and Names Each stream must have an identification label assigned to it. This stream identifier (or “sid”) uniquely identifies the stream and may contain up to twelve alphanumeric characters. Each character may be alphabetic (A to Z), numeric (0 to 9), or one of the special characters “+” (plus sign), “-” (minus sign), or “_” (underline). PRO/II software does not distinguish between upper and lower case letters. All other characters, including embedded blanks and the delimiters defined above, are invalid. Each unit operation module should have a unique unit identifier (“uid”) assigned using the same conventions as for stream labels above. Strictly speaking, the “uid” is optional for keyword input; but it is required by the Graphical User Interface, so this manual always lists it as required. Each stream and unit operation optionally may have a descriptive name containing up to twelve alphanumeric characters. These names often help clarify program output. Unlike a stream “sid” or a unit operation “uid”, names may include embedded blanks and do not have to be unique.
Read Statement (Optional) The READ statement allows the user to read sections of data into a keyword input file from remote data files. The sections of data appear in the remote files exactly as they would appear in the keyword file. These files are then inserted into the keyword input file at the READ statement locations. For example, consider the following files: File name= R1.DAT TITLE READ SOUR.DAT STREAM DATA PROP STREAM=1,TEMP=100,PRESSURE=100,& COMP=50/25/25/25 UNIT OPERATION ... File name=SOUR.DAT COMPONENT DATA LIBID 1,H2S/2,CO2/3,H2O/4,C1 THERMO METHOD SYSTEM=SOUR
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INPUT CONVENTIONS 17
The resulting file as interpreted by the PRO/II input processor would be: TITLE COMPONENT DATA LIBID 1,H2S/2,CO2/3,H2O/4,C1 THERMO METHOD SYSTEM=SOUR STREAM DATA PROP STREAM=1,TEMP=100,PRESSURE=100,& COMP=50/25/25/25 UNIT OPERATION ... The rules for file names are as follows: 1.
Any valid file name for the computer being used is accepted if the name is given in full.
2.
When an extension is not given for the file name, the extension defaults to the input file extension. For example, on VAX VMS, all input files have a .DAT extension. By default, remote files also have a .DAT extension.
3.
When the prefix is omitted for the file name, the input file name prefix is assumed.
For example, if the input file name is C1.DAT, the following remote files are read: Input File
Action Taken
READ SOUR
Reads remote file SOUR.DAT.
READ .THR
Reads remote file C1.THR.
READ SOUR.THR
Reads remote file SOUR.THR.
READ C1.DAT
Error. Input file cannot read itself.
Annotating Objects with Notes PRO/II software supports object annotation for a variety of flowsheet objects. These include individual streams, unit operations, and thermodynamic METHOD sets. Additionally, a single Note is supported that applies to the entire component slate used in the problem. Notes for individual components are not supported. Notes may be viewed and edited interactively through the PRO/II graphical user interface. Except for input processing, Notes are not otherwise supported through keywords. Notes may be viewed and edited interactively through the PRO/II graphical user interface. Except for input processing, Notes are not otherwise supported through keywords.
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INPUT CONVENTIONS 18
Because of the descriptive nature of object annotation, many of the usual keyword rules and delimiters do not apply to Notes. This is necessary because of the length of the Note and the restrictions imposed by keyword syntax. Typically, entering Notes using PROVISION software is not subject to keyword syntax limitations. The following rules apply when entering the text of a Note in a keyword input data file: 1.
The TEXT keyword is required on each NOTES statement (not on each continuation statement of a Note).
2.
No line may extend beyond column 80 (normal keyword restriction).
3.
The body of the Note begins with the first non-blank character following the TEXT keyword. An optional “equals” sign (=) immediately following the TEXT keyword is ignored. Except for ampersands and quotation marks used in the specific situations described below, there are no restrictions on the characters allowed in the text.
4.
The text of the Note may be continued on a succeeding line by inserting an ampersand (&) as the last non-blank character on the current line. Such ampersands are not included as part of the text of the Note. However, ampersands anywhere else in the text are considered part of the text.
5.
On each line, leading blanks are ignored. Trailing blanks (before a final ampersand) are retained as part of the text of the Note.
6.
Approximately the first 4096 characters are saved as the body of the Note. Additional characters are processed but discarded.
7.
When the first non-blank character is not a quotation mark (“), any number of quotation marks may appear in the remainder of the Note body.
8.
When the first non-blank character is a quotation mark (“), the Note text extends to the next quotation mark. Characters that follow the second quotation mark are not part of the Note. They are processed according to normal keyword conventions. When no second quotation mark is present, the Note text extends to the end of the statement.
Examples Examples of the Object Annotation feature follow. COMPONENT DATA NOTES TEXT = the component slate for this simulation contains & light hydrocarbons. Only one Note is supported for the entire component slate. LIBID
1, ETHANE/ 2, PROPANE/ 3,IBUTANE/ 4, BUTANE
THERMODYNAMIC DATA
Chapter 3
INPUT CONVENTIONS 19
METHOD SYSTEM = SRK NOTES TEXT = Additional method SRK is defined to be used with BVLE unit. One Note is allowed for each Thermo Method set.
PROP STREAM=S1, ... NOTE TEXT= “This note documents & Stream S1.”, SID=S1 This saves the following text as the note for stream S1: This Note documents Stream S1. The quotation marks enclosing the body of the Note are not saved as part of the Note, but allow the SID=S1 entry to appear on the statement after the Note. One note is allowed for each stream PROPERTY statement.
FLASH UID=FL1 NOTE TEXT= Flash “FL1” & Stream “S1” & are used together. The keyword entry above stores the following text for this unit operation (including ampersands and quotation marks): Flash “FL1” & Stream “S1” are used together. One Note is allowed for each unit operation.
Chapter 3
INPUT CONVENTIONS 20
4 – Dimensional Units PRO/II software offers great flexibility in the dimensional units available for supplying data and printing results. Although the program uses a consistent set of units internally to perform most calculations, the user isn’t required to use them, or even be aware of them. Since PRO/II software recognizes most of the more common units (and many of the less common as well) the user usually can use any available data directly, without having to convert it to dimensions recognized by the program. There are three mechanisms by which the program identifies dimensional units. 1.
The DIMENSION statement in the General Data Category declares the default dimensions used for all input and output processing. Any data entered without a specific dimensional unit qualifier uses the units declared on the DIMENSION statement. This statement allows the user to declare a system of units, individual units, or a mixed set consisting of a system modified by individual unit declarations. If not used, the ENGLISH system (Table 4.1) serves as the default. Refer to Section 5, “General Data”, for further discussions. Example: Set the default dimensions to SI, but override the temperature units to C, and the time units to seconds. TITLE DIMENSION SI, TEMP=C, TIME=SEC
2.
The OUTDIMENSION statement controls the dimensional units used for printing all results, and has no effect on the dimensional units used to input data. This statement can generate printout in place of or in addition to results printed using the units from the DIMENSION statement. If the OUTDIMENSION statement is omitted, all results appear in the units declared on the DIMENSION statement. See Section 5, “General Data”, for more information. Example: Generate an additional output report in ENGLISH units, but override the standard liquid volume units to barrels. TITLE DIMENSION... OUTDIMENSION ENGLISH, LIQV=BBL
3.
Individual dimensional unit qualifiers are available on most entries that define dimensional quantities, and apply only to the input data supplied by each entry. When used, these qualifiers supersede the DIMENSION statement or any other relevant default unit. When omitted, the dimensions of the data are those declared on the DIMENSION statement. These qualifiers are discussed throughout the manual. Example: Set the temperature of stream FD at 100 C, the pressure at 50 psig, the rate at 9000 pounds per hour, and give the composition on a standard liquid volume basis: PROPERTY STREAM=FD, TEMP(C)=100, & PRESSURE(PSIG)=50, RATE(LB/HR)=9000, & COMP(LV)=100/50/35, NORMALIZE
Chapter 4
DIMENSIONAL UNITS 21
Providing the qualifier LB/HR on the RATE keyword automatically changes the basis from M (molar, default) to WT. Table 4.1 lists the default dimensions included in each available system of units (ENGLISH, METRIC, and SI).
Table 4.1 Systems of Default Dimensional Units Dimensional Class Temperature, dTemp
ENGLISH F
METRIC C
SI K
2P
Pressure, dPres,Pabs
psia
kg/cmP
Weight
lb
kg
kg
Time
hr
hr
hr
Length
ft
m
m
Fine Length
in
mm
mm
Velocity
ft/sec
m/sec
m/sec
Energy
Btu
kcal
kJ
Enthalpy
Btu/lb
Kcal/kg
kJ/kg
Work
hp
kW
kW
6P
6P
kPa
6
Duty
10P Btu/hr
10P kcal/hr
10P P kJ/hr
Heat Capacity, Cp, Specific heat
Btu/lb_F
kcal/kg_C
kJ/kg_K
Thermal Conductivity Btu/hr_ft_F
kcal/hr_m_C
W/m_K
Viscosity
cp
cp
Pa_sec
Kinematic Viscosity
centistoke
centistoke
centistoke
Surface Tension
dyne/cm
dyne/cm
N/m
Liquid Volume
ftP
3P
mP
3P
mP
3P
Vapor Volume
ftP
3P
mP
3P
mP
3P
Specific Volume, Liquid or Vapor
ftP P/lb_mol
3
mP P/kg_mol
3
mP P/kg_mol
Vapor Density
lb/ftP
3P
kg/mP
Liquid & Petro Density lb/ftP3P Inverse Length (1/len) Equivalent Volume
Chapter 4
ft 3P
ftP /ft
3
3P
kg/mP
3P
kg/mP
3P
kg/mP
3P
m
m
3P
mP /m
3
mP P/m
DIMENSIONAL UNITS 22
Table 4.1 Systems of Default Dimensional Units Dimensional Class
ENGLISH 3
Heating Value
Btu/ft
Entropy
Btu/lb_mol_F
METRIC kcal/m
3
kJ/m
Kcal/kg_mol-C
2P
kcal/hr_mP _C
4
Heat Transfer Coef.
Btu/hr_ftP _F
Radiative HTC
Btu/hr_F
HX Configuration (UA)
Btu/hr_F
SI 3
kJ/kg_mol_K 2_
2P
kW/mP K
kcal/hr_CP
4P
kJ/hr_K
kcal/hr_C
kW/K
2
m _hr_K/kJ
2
mP
4
2
m _K/kW
2
2
mP
Fouling Coefficient
ft _hr_F/Btu
Area
ft
Fine Area
in
mmP
mmP
Rate, mole
lb_mole/hr
kg_mole/hr
kg_mole/hr
Rate, weight (mass)
lb/hr
kg/hr
kg/hr
3
2
2
2 2
3
m /hr
m /hr
3
Rate, volume (liqvol)
ft /hr
Rate, vapor volume
ft /hr
3
m /hr
3
m /hr
Cake Resistance
ft/lb
m/kg
m/kg
Dipole Moment
Debye
Debye
Debye
Angle
radian
radian
radian
3
The dimensional classes appearing as bold text in Table 4.1 are those that may be specified on input DIMENSION statement. The later classes are composite classes that are adjusted to agree with the input classes. For example, area is set to be length squared, and volume is set to be length cubed.
Chapter 4
DIMENSIONAL UNITS 23
Table 4.2 lists all dimensional units in all dimensional classes available through individual entry qualifiers. Refer to the discussion of the DIMENSION and OUTDIMENSION statements in Section 5, “General Data”, for more information and examples.
Table 4.2 Available Dimensional Units Class: TEMPERATURE or TEMPERATURE DIFFERENCE
(utemp)
Keyword
Dimensional Units
Keyword
Dimensional Units
K C
Kelvin Celsius
F R
Fahrenheit Rankine
Class: PRESSURE or PRESSURE DIFFERENCE
(upres)
Keyword
Dimensional Units
Keyword
Dimensional Units
D/CM2 N/M2 PA KPA KPAG MPA BAR BARG MMHG TORR KG/CM2 ATA
dyne/cm2 Newton/m2 Pascal kiloPascal kiloPascal (gauge) megaPascal Bar (absolute) Bar (gauge) Millimeters of Hg Millimeters of Hg Kilogram/cm2 Technical atm (abs)
ATE ATM PSIA PSIG PSF INH2 MMH INHG MBAR MBARG MPAG KG/CMG
Technical atm (gauge) atmosphere pound/inch2 (abs) pound/inch2 (gauge) pound/foot2 inches of water millimeter of Hg Inches of HG millibar millibar (gauge) megaPascal (gauge) kilogram/cm2 (gauge)
P
P
P
P
P
P
P
P
P
P
P
P
Class: WEIGHT
(uwt)
Keyword
Dimensional Units
Keyword
Dimensional Units
G or GR* KG TONM KTONM
gram kilogram Metric tonne 1000 Metric tons
OZ LB TON TONL MLB
ounce pound short ton long ton 1000 pounds
* In this case, where multiple classes create a conflict, the alias “G” still will not work. Class: TIME
(utime)
Keyword
Dimensional Units
Keyword
Dimensional Units
SEC MIN HR DAY
second minute hour day
WK MON YR
week month year
Chapter 4
DIMENSIONAL UNITS 24
Table 4.2 (Continued) Available Dimensional Units Class:
LENGTH or FINE LENGTH
(uleng) or (uflen)
Keyword
Dimensional Units
Keyword
Dimensional Units
ANG MMIC MIC MM CM DM
Angstrom millimicron micron millimeter centimeter decimeter
M KM IN FT YD MI
meter kilometer inch foot yard mile
Class:
AREA or FINE AREA
(uarea)
Keyword
Dimensional Units
Keyword
Dimensional Units
ANG2 MMIC2 MIC2 MM2 CM2 DM2 M2
Angstrom2 millimicron2 micron2 millimeter2 centimeter2 decimeter2 meter2
KM2 HECT IN2 FT2 YD2 MI2 ACRE
kilometer2 hectare Iich2 foot2
Class:
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
Py
P
yard2 mile2 acre P
P
P
P
VELOCITY
(uvelo)
Keyword
Dimensional Units
Keyword
Dimensional Units
M/S MM/S FT/S IN/S CM/S M/MIN FT/M MM/M IN/M CM/M
meter/second millimeter/second foot/second inch/second centimeter/second meter/minute foot/minute millimeter/minute inch/minute centimeter/minute
M/HR FT/HR MM/HR IN/HR CM/HR M/DA FT/DA MM/DA IN/DA CM/DA
meter/hour foot/hour millimeter/hour inch/hour centimeter/hour meter/day foot/day millimeter/day inch/day centimeter/day
Class:
LIQUID VOLUME or VAPOR VOLUME
Keyword 3
MM CM3, CC DM3 LIT M3 KM3 IN3 FT3 YD3 P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
Dimensional Units 3
millimeter centimeter3 decimeter3 liter meter3 1000 meter3 inch3 foot3 yard3 P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
(uvol, uLvol, uVvol)
Keyword
Dimensional Units
3
MI GAL IGAL BBL MFT3 MMFT MGAL MMGAL MBBL P
Mile3 U.S. gallon* Imperial gallon* API barrel* 1000 feet3 1000000 feet3
P
P
P
P
P
P
P
P
1000 gallons 1000000 gallons 1000 barrels P
* Liquid volume only.
Chapter 4
DIMENSIONAL UNITS 25
Table 4.2 (Continued) Available Dimensional Units Class:
LIQUID SPECIFIC VOLUME or VAPOR SPECIFIC VOLUME1
Keyword CM3/G LIT/G M3/G CM3/KG LIT/KG M3/KG P
P
Class:
Dimensional Units 3
Cm /gram mole Liter/gram mole Meter3/gram mole Cm3/kilogram mole Liter/kilogram mole Meter3/kilogram mole P
P
P
P
P
P
P
P
(uspvol)
Keyword
Dimensional Units
IN3/LB FT3/LB GAL/LB IG/LB BBL/LB
Inch3/pound mole Feet3/pound mole U.S. gallon/pound mole Imp. gallon/pound mole API barrel/pound mole
LIQUID DENSITY or VAPOR DENSITY
P
P
P
P
(udens)
Keyword
Dimensional Units
Keyword
Dimensional Units
G/CM3 G/LIT G/M3 KG/CM3 KG/LIT KG/M3
Gram/cmP Gram/liter 3 Gram/ meterP P 3 Kilogram/cm Kilogram/liter 3 Kilogram/meterP
3
LB/IN3 LB/FT3 LB/GAL LB/IGAL LB/BBL
Pound/cubic inch Pound/cubic foot Pound/U.S. gallon Pound/Imp.gallon Pound/API barrel
Class:
P
P
P
2
ENERGY
(uener)
Keyword
Dimensional Units
Keyword
Dimensional Units
J KJ CAL KCAL GCM KGM
Joule Kilojoule Calorie Kilocalorie Gram-centimeter Kilogram-meter
FTLB BTU CHU PCU KWH
Foot-pound British thermal unit Centigrade heat unit Pound centigrade unit Kilowatt-hour
Class:
3
ENTHALPY (and Specific Enthalpy) P
(uenth)
Keyword
Dimensional Units
Keyword
Dimensional Units
J/G KJ/G MJ/G CAL/G KC/G BTU/LB CHU/K PCU/G PCU/LB
Joule/gram Kilojoule/gram Mega joule/gram Calorie/gram Kilocalorie/gram Btu/pound CHU/kilogram PCU/gram PCU/pound
J/KG KJ/KG MJ/KG CAL/KG KC/KG CHU/G CHU/LB PCU/KG
Joule/kilogram Kilojoule/kilogram Mega joule/kilogram Calorie/kilogram Kilocalorie/kilogram CHU/gram CHU/pound PCU/kilogram
1P
Specific volumes are on a mole basis with units of volume/wt_mole. International Steam Table (IT) calorie, not the Thermochemical calorie. One IT calorie = 1/860 Watt/hour = 1.000654 Thermochemical calories. P3 Activation energy for reactions always is in thousands of energy units per mole units. Use the specific enthalpy keyword qualifiers to specify the units of activation energy. 2
Chapter 4
DIMENSIONAL UNITS 26
Table 4.2 (Continued) Available Dimensional Units Class: HEAT TRANSFER COEFFICIENT Keyword KW/MK KC/H
Dimensional Units 2
Kilowatt/meter _K Kcal/hour_meter2_C P
P
P
P
(uhtco) Keyword
Dimensional Units
KJ/H BTU/H
Kj/hour_meter2_K Btu/hour_foot2_F P
P
P
P
Class: FOULING COEFFICIENT Keyword MK/KW HMC/K
Dimensional Units 2
Meter _K/kilowatt Hour_meter2_C/Kcal P
P
P
P
(ufoul) Keyword
Dimensional Units
HMK/K HFF/B
Hour_meter2_K/Kj Hour_foot2_F/Btu P
P
P
P
Class: HEAT EXCHANGER CONFIGURATION
(uhxcfg)
Keyword
Dimensional Units
Keyword
Dimensional Units
KW/K KC/HC
Kilowatt/K Kcal/hour_C
KJ/HK BTU/HF
KJ/hour_K Btu/hour_F
Class: Work or DUTY (Multiply values by 1,000,000 for DUTY)1
(uwork) or (uduty)
Keyword
Dimensional Units
Keyword
Dimensional Units
WATT J/S J/M J/H J/D KW KJ/S KJ/M KJ/H KJ/D CAL/S CAL/M CAL/H CAL/D KC/S KC/M KC/H KC/D GCM/S GCM/M GCM/H GCM/D
Watt Joule/second Joule/minute Joule/hour Joule/day Kilowatt Kilojoule/second Kilojoule/minute Kilojoule/hour Kilojoule/day Calorie/second Calorie/minute Calorie/hour Calorie/day Kilocalorie/second Kilocalorie/minute Kilocalorie/hour Kilocalorie/day Gram_cm/second Gram_cm/minute Gram_cm/hour Gram_cm/day
KGM/S KGM/M KGM/H KGM/D FTLB/S FTLB/M FTLB/H FTLB/D BTU/S BTU/M BTU/H BTU/D CHU/S CHU/M CHU/H CHU/D PCU/S PCU/M PCU/H PCU/D HP
Kg_meter/second Kg_meter/minute Kg_meter/hour Kg_meter/day Foot_pound/second Foot_pound/minute Foot_pound/hour Foot_pound/day Btu/second Btu/minute Btu/hour Btu/day CHU/second CHU/minute CHU/hour CHU/day PCU/second PCU/minute PCU/hour PCU/day Horsepower
1P P
International Steam Table (IT) calorie, not the Thermochemical calorie. One IT calorie = 1/860 Watt/hour = 1.000654 Thermochemical calories.
Chapter 4
DIMENSIONAL UNITS 27
Table 4.2 (Continued) Available Dimensional Units Class: HEAT CAPACITY (Cp)
(uCp)
Keyword
Dimensional Units
Keyword
Dimensional Units
J/G CAL/G KJ/K
Joule/gram_K Calorie/gram_C kilojoule/kilogram_K
KC/K BTU/L
kilocalorie/kilogram_C Btu/pound_F
Class: WEIGHT (mass) FLOW RATE
(urate, uwrate)
Keyword
Dimensional Units
Keyword
Dimensional Units
G/S G/M G/H G/D KG/S KG/M KG/H KG/D TM/S TM/M TM/H TM/D TS/S TS/M TS/H TS/D
Gram/second Gram/minute Gram\hour Gram/day Kilogram/second Kilogram/minute Kilogram/hour Kilogram/day Metric tonne/second Metric tonne/minute Metric tonne/hour Metric tonne/day Short ton/second Short ton/minute Short ton/hour Short ton/day
LB/S LB/M LB/H LB/D MLB/S MLB/M MLB/H MLB/D TL/S TL/M TL/H TL/D KTM/S KTM/M KTM/H KTM/D
Pound/second Pound/minute Pound/hour Pound/day 1000 pounds/second 1000 pounds/minute 1000 pounds/hour 1000 pounds/day Long ton/second Long ton/minute Long ton/hour Long ton/day 1000 Metric tons/second 1000 Metric tons/minute 1000 Metric tons/hour 1000 Metric tons/day
Class: MOLE FLOW RATE
(urate, umrate)
Keyword
Dimensional Units
Keyword
Dimensional Units
GMOL/S GMOL/M GMOL/H GMOL/D KGM/S KGM/M KGM/H KGM/D MKGM/S MKGM/M MKGM/H MKGM/D KTMM/S
Gram_mole/second Gram _mole/minute Gram _mole/hour Gram _mole/day Kg_mole/second Kg_mole/minute Kg_mole/hour Kg_mole/day 1000 Kg_mole/sec 1000 Kg_mole/min 1000 Kg_mole/hour 1000 Kg_mole/day 1000 Metric Ton_mole/sec 1000 Metric Ton_mole/min 1000 Metric Ton_mole/hour 1000 Metric Ton_mole/day
LBM/S LBM/M LBM/H LBM/D MLBM/S MLBM/M MLBM/H MLBM/D TSM/S TSM/M TSM/H TSM/D TLM/S TLM/M TLM/H TLM/D
Pound_mole/second Pound_mole/minute Pound_mole/hour Pound_mole/day 1000 Pound_mole/second 1000 Pound_mole/minute 1000 Pound_mole/hour 1000 Pound_mole/day Short Ton_mole/second Short Ton_mole/minute Short Ton_mole/hour Short Ton_mole/day Long Ton_mole/second Long Ton_mole/minute Long Ton_mole/hour Long Ton_mole/day
KTMM /M KTMM /H KTMM /D
Chapter 4
DIMENSIONAL UNITS 28
Table 4.2 (Continued) Available Dimensional Units Class:
VOLUMETRIC FLOW RATE
(urate, uvrate, ugvra, ulbra)
The following volume rates are available as either liquid or vapor (gas) volume rates. Liquid volume is the default. Use the GV qualifier to specify gas volume rates Keyword
Dimensional Units
Keyword
Dimensional Units
M3/S M3/M M3/H M3/D L/S L/M L/H L/D
Meter /second Meter3/minute Meter3/hour Meter3/day Liter/second Liter/minute Liter/hour Liter/day
FT3/S FT3/M FT3/H FT3/D MFT3/S MFT3/M MFT3/H MFT3/D
Feet3/second Feet3/minute Feet3/hour Feet3/day 1000 Feet3/second 1000 Feet3/minute 1000 Feet3/hour 1000 Feet3/day
GAL/S GAL/M GAL/H GAL/D IG/S IG/M
U.S. gallon/second U.S. gallon/minute U.S. gallon/hour U.S. gallon/day Imp. gallon/second Imp. gallon/minute
IG/H IG/D BBL/S BBL/M BBL/H BBL/D
Imp. gallon/hour Imp. gallon/day API barrel/second API barrel/minute API barrel/hour API barrel/day
Class:
3 P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
P
1
THERMAL CONDUCTIVITY
P
(ucond)
Keyword
Dimensional Units
Keyword
Dimensional Units
W/MK W/MC KW/MK KW/MC
Watt/meter_Kelvin Watt/meter_Celsius Kilowatt/meter_K Kilowatt/meter_C
CAL/S CAL/H KC/H BTU/H
Calorie/sec_cm_C Calorie/hr_meter_C kilocalorie/hr_meter_C Btu/hr_foot_F
Class:
VISCOSITY
(uvisc)
Keyword
Dimensional Units
Keyword
Dimensional Units
CP POISE PAS K/MS K/MM K/MH
centiPoise Poise Pascal_second Kg/meter_second Kg/meter_minute Kilogram/meter_hour
K/MD LB/FS LB/FM LB/FH LB/FD LBS/F
Kilogram/meter_day Pound/foot_second Pound/foot_minute Pound/foot_hour Pound/foot_day Pound_second/foot2 P
Class: KINEMATIC VISCOSITY
(ukvis)
Keyword
Dimensional Units
Keyword
Dimensional Units
CST IN/S
Centistoke Inch/second
ST
Stoke
1P P
P
International Steam Table (IT) calorie, not the Thermochemical calorie. One IT calorie = 1/860 Watt/hour = 1.000654 Thermochemical calories.
Chapter 4
DIMENSIONAL UNITS 29
Table 4.2 (Continued) Available Dimensional Units Class:
SURFACE TENSION
(usurf)
Keyword
Dimensional Units
Keyword
Dimensional Units
G/CM DYNE
Gram/centimeter Dyne/centimeter
N/M PDL/I
Newton/meter poundal/inch
Class: DIPOLE MOMENT
(udipo)
Keyword
Dimensional Units
Keyword
Dimensional Units
DEB COUL
Debye Coulomb_meter
EU
Electrostatic Unit
Class: HEATING VALUE Keyword KJ/M3 BTU/FT3 Class:
(uhval)
Dimensional Units 3
kiloJoule / meter P 3 Btu / ft P
Keyword
Dimensional Units
KCAL/M3
Kilocalorie / meter3 P
P
P
BASIS
(basis)
Keyword
Dimensional Units
Keyword
Dimensional Units
M WT (aka W)
Mole basis Weight basis
LV(alias V) GV
Liquid Volume basis Gas volume basis
Class:
PHASE
(phase)
Keyword
Dimensional Units
Keyword
Dimensional Units
M L V
Mixed Liquid Vapor
W S
Decant (water) Solid
Class:
1
FRACTION
(ufrac) or (upct) or (uppm)
Keyword
Dimensional Units
Keyword
Dimensional Units
FRAC PCT
Fraction Percentage
PPM
Parts per million
1 Classes FRAC, PCT, and PPM have identical unit entries but different defaults. Class FRAC expects fractions, class PCT expects percentages, and class PPM expects values to be entered as parts per million by default.
Chapter 4
DIMENSIONAL UNITS 30
5 – General Data Keyword Summary Heading Statement (required) TITLE{NEWFILE= fileid, OLDFILE= fileid, CASEID= caseid}, {PROJECT= text, PROBLEM= text, USER= text}, {DATE= text, SITE= siteid}
Dimensional Units (required) The individual defaults shown here are ENGLISH units. See Table 5.1 for METRIC and SI defaults. DIMENSION ENGLISH or METRIC or SI, TEMP= F, PRESSURE= PSIA, WT= LB, TIME= HR, LENGTH= FT, FLENGTH= IN, ENERGY= BTU, WORK= HP, DUTY= BTU/HR, HTCOEF=BTU/HR, FOUL=HFF/B, CONDUCT=BTU/HR, VISCOSITY= CP, SURFACE= D/CM, LIQVOL= FT3, (1) VAPVOL= FT3, SPVOL= FT3/LB, SPVVOL= FT3/LB, DENSITY= LB/FT3, XDENSITY=API or SPGR or DENSITY, PBASIS(PSIA)= 14.696, (1) { STDVAP(FT3/LB)= 379.49 (cubic feet per pound_mole), STDTEMP(F)=60 and STDPRESSURE(ATM)=1.0 } The individual defaults shown here are ENGLISH units. See Table 5.1 for METRIC and SI defaults. OUTDIMENSION ENGLISH or METRIC or SI, ADD or REPLACE, TEMP= F, PRESSURE= PSIA, WT= LB, TIME= HR, LENGTH= FT, FLENGTH= IN, ENERGY= BTU, WORK= HP, DUTY= BTU/HR, HTCOEF=BTU/HR, FOUL=HFF/B, CONDUCT= BTU/HR, VISCOSITY= CP, SURFACE= D/CM, LIQVOL= FT3, (1) VAPVOL= FT3, SPVOL= FT3/LB, SPVVOL= FT3/LB, DENSITY= LB/FT3, XDENSITY=API or SPGR or DENSITY, (1)
{ STDVAP(FT3/LB)=379.49 (cubic feet per pound_mole), STDTEMP(F)=60 and STDPRESSURE(ATM)=1.0 }
{ } entries are optional ( ) keyword qualifiers Values given are defaults Underlined keywords are default (1) Specific volume and standard vapor volume are volume per weight mole Chapter 5
GENERAL DATA 31
Calculation Options (optional) CALCULATION TRIALS= 20, RECYCLE= ALL or TEAR, TVPBASIS(F)= 100, RVPBASIS= APINAPHTHA or APICRUDE or P323 or D323 or D4953 or D5191, {INCHECK}, COMPCHECK=CALC or INPUT, MAXOPS= 1,000,000, {CDATA=VARIABLE,} FLASH=DEFAULT or VER5 or ALTERNATE, DVARIABLE= ON or OFF TOLERANCE STREAM= 0.01, -1.0, 0.01, 0.01, TEMP= -0.1, PRESSURE= 0.005, DUTY= 0.001, MISC= 0.003 FLASH=0.000003 SEQUENCE SCALE CHECK
SIMSCI or PROCESS or ASENTERED or DEFINED=uid, uid, uid ...
STREAM=sid, RATE (M or WT or LV or GV)=value, {COMP=i,j} SOLID
Printout Options (optional) DESCRIPTION text PRINT
INPUT= PART or ALL or NONE or COMPONENT, THERMO, SEQUENCE, REFPROP, RPIN, RPBO, STREAM= ALL or COMPONENT or SUMMARY or NONE, RATE= M, WT, LV, GV, {FRACTION= M, WT, LV, GV}, {ASTD} {PERCENT= M, WT, LV, GV}, {TBP, WTFRAC}, {TRIAL=1 or 100}, {MBAL or MBALANCE=ON or OFF,} { KVT1(utemp)=temp1, KVT2(utemp)=temp2 }, { SEQMAP or SEQMAP=ON or OFF } {CPTIME, CAPTURE, INTERMEDIATE}, WIDTH= 80 or WIDTH=120 or 132, PLENGTH= 60, NOWARNING, SPTP=ON/OFF
DBASE
DATA= {SEQUENCE, STREAM, PETRO, PROFILE, PDS or ALL}
Exergy Analysis (optional) EXERGY {TZERO(utemp)=value}, {PZERO(upres)=value}
{ } entries are optional ( ) keyword qualifiers Values given are defaults Underlined keywords are default (1) Specific volume and standard vapor volume are volume per weight mole Chapter 5
GENERAL DATA 32
General Information General Data is always the first category of data in a keyword input file. With the exception of the TITLE statement, all statements in this category are optional. Input requirements for restarting a problem differ from those described here. Refer to Section 18.1, “Restart”, for instructions in using the problem restart facilities. Data supplied in this section acts as global defaults for the problem as a whole. For example, dimensional units declared here affect all input data that follow. Similarly, the calculation options apply to all unit operations, streams, or recycle loops. Printout options modify the reports of results for all streams and unit operations. Specific data supplied later in the input file may override many of the General Data options that act as default settings. For example, most entries that define numeric data allow qualifiers that specify the dimensional units used for input. The dimensions declared on the DIMENSION statement apply only when explicit individual qualifiers are omitted. Calculation options provide alternative approaches for obtaining solutions to problems. Tightening tolerances may achieve a solution to a difficult simulation that otherwise fails. On the other hand, loosening the tolerances may save substantial computer time for a less rigorous application. The SEQUENCE statement often allows the decomposing of a complex flowsheet into manageable pieces without extensive modification to an input file, and allows for the selection of alternate sequencing techniques. The SCALE statement scales a selected product stream to a desired flow rate. Other streams and unit operations are scaled accordingly.
Input Description Heading Statement (required) TITLE{NEWFILE= fileid, OLDFILE= fileid, CASEID= caseid}, {PROJECT= text, PROBLEM= text, USER= text}, {DATE= text, SITE= siteid} The TITLE statement is always the first statement in an input file. Keyword TITLE must be the first entry on the statement; all other entries are optional.
NEWFILE, OLDFILE
These entries are used in conjunction with the restart feature. See Section 18.1, “Restart”.
CASEID
This entry is used with the case study feature. See Section 18.2, “Case Study”.
PROJECT, PROBLEM, USER, DATE
Each of these entries is optional but if used, the supplied text appears as part of the heading on each page of the results printout. Each entry allows up to 12 characters of alphanumeric text, including embedded blanks but excluding delimiters. The
Chapter 5
GENERAL DATA 33
DATE field allows slashes, so a date may appear in the form “1/1/07”. If DATE is omitted, PRO/II software reads and reports the computer system date. SITE
When using the optional SimSci Royalty Program, the SITE entry identifies the operating site or department that accrues charges for running PRO/II software. Otherwise, the SITE entry is ignored. Refer to the PRO/II Installation Guide for more information about the SimSci Royalty Program.
Dimensional Units (optional) The individual defaults shown here are ENGLISH units. See Table 5.1 for METRIC and SI defaults. DIMENSION ENGLISH or METRIC or SI, TEMP= F, PRESSURE= PSIA, WT= LB, TIME= HR, LENGTH= FT, FLENGTH= IN, ENERGY= BTU, WORK= HP, DUTY= BTU/HR, HTCOEF=BTU/HR, FOUL=HFF/B, CONDUCT=BTU/HR, VISCOSITY= CP, SURFACE= D/CM, LIQVOL= FT3, VAPVOL= FT3, SPVOL= FT3/LB, SPVVOL= FT3/LB, DENSITY= LB/FT3, XDENSITY=API or SPGR or DENSITY, PBASIS(PSIA)= 14.696, { STDVAP(FT3/LB)= 379.49 and/or STDTEMP(F)=60 and/or STDPRESSURE(ATM)=1.0 } The DIMENSION statement defines the default dimensional units used for problem input. The ENGLISH, METRIC, and SI keywords each select a complete predefined system of dimensional units, as shown in Table 5.1. PRO/II software uses the ENGLISH system of units for program input when the DIMENSION statement is missing. Defining a mixed system of units is possible by selecting a predefined system (ENGLISH, METRIC, or SI) and then using appropriate keywords to override individual dimensional units. Table 4.2 contains a complete list of keywords for all available dimensions of each dimensional class. For example, to use the SI system of units with temperature input in degrees Celsius and time in minutes, use: DIMENSION
SI, TEMP=C, TIME=MINUTE
For displaying dimensional units of measure, the user should note that the following output report conventions apply: 3 1. For ENGLISH units of measure, thousands (i.e., 10 ) of units are labeled as “M”, 6 while millions of units (i.e., 10 ) are labeled as “MM”. 3 2. For SI or METRIC units of measure, thousands (i.e., 10 ) of units are labeled as 6 “K*”, while millions of units (i.e., 10 ) are labeled as “M*”.
Chapter 5
GENERAL DATA 34
Table 5.1 Systems of Default Dimensional Units Units Class ENGLISH METRIC Temperature F C 2 Pressure psia kg/cm Weight lb kg Time hr hr Length ft m Fine Length in mm Velocity ft/sec m/sec Energy Btu kcal Work hp kW 6 6 Duty 10 Btu/hr 10 kcal/hr 2 2 Heat Transfer Coefficient Btu/hr-ft -F kcal/hr-m -C Thermal Conductivity Btu/hr-ft-F kcal/hr-m-C Viscosity cp cp Surface Tension dyne/cm dyne/cm 3 3 Liquid Volume ft m 3 3 Vapor Volume ft m Specific Volume, 3 3 m /kg Liquid ft /lb 3 3 ft /lb m /kg Vapor 3 3 Molar Density Lb_mole/ft kg_mole /m 3 3 Vapor Density lb/ft kg/m 3 Petro Density API gravity kg/m
SI K kPa kg hr m mm m/sec kJ kW 6 10 kJ/hr 2 kW/m -K W/m-K Pa-sec N/meter 3 m 3 m 3
m /kg 3 m /kg 3 kg_mole /m 3 kg/m 3 kg/m
In later sections of input, certain keywords allow qualifiers (selected from Table 4.2) that override the dimensions declared on the DIMENSION statement. Such overrides apply only to the input values supplied by the specific data entry that declares the override. Problem output ignores these override dimensions, and consistently reports results in the dimensions specified on the DIMENSION and OUTDIMENSION statements (or set by default). For example: TITLE DIMENSION SI, TEMP=C ... OPERATION TEMP(F)= 200, PRESSURE(ATM)= 1.0 ... In this case, the SI unit of pressure is kiloPascal (PRESSURE=KPA), with temperature in degrees Kelvin (see Table 5.1). The “TEMP=C” entry on the DIMENSION statement redefines the default temperature unit as degrees Celsius. The OPERATION statement includes “TEMP(F)= 200” and “PRESSURE(ATM)= 1.0” that supply a temperature of 200 F and a pressure of 1.0 atmosphere (refer to Table 4.2 for available options). These local overrides do not apply to any other data entries. See Section 4, “Dimensional Units”, for a complete description of all dimensions available for use within PRO/II software. DENSITY
Chapter 5
This defines the units of measure for density input data. The
GENERAL DATA 35
default for English units of measure is lb/ft3. XDENSITY
This defines the basis of the DENSITY entry (API — the default, SPGR — specific gravity, or DENSITY). These two entries, DENSITY and XDENSITY, are linked. For English units of measure, XDENSITY overrides DENSITY, i.e., values input for DENSITY will be taken as API unless the XDENSITY keyword is changed to DENSITY. When XDENSITY is set to DENSITY, you can adjust the density units for input density values by changing the DENSITY keyword unit options. For SI and Metric units of measure, input DENSITY values are in the units specified by the DENSITY entry. PBASIS
This defines the standard atmosphere of pressure used as the basis for converting between gauge and absolute pressure. By default, PBASIS = 14.696 psia. The equation used is: P(absolute) = P(gauge) + PBASIS
STDTEMP
These three key words allow users to redefine the standard conditions used to compute standard properties. This may be useful when comparing results reported in different sets of dimensional units, since in PRO/II software English, metric, and SI systems of units define standard conditions at different reference points. Refer to the topic Adjusted Standard Conditions and Properties (optional below.
STDPRES STDVAP
The individual defaults shown here are ENGLISH units. See Table 5.1 for METRIC and SI defaults. OUTDIMENSION ENGLISH or METRIC or SI, ADD or REPLACE, TEMP= F, PRESSURE= PSIA, WT= LB, TIME= HR, LENGTH= FT, FLENGTH= IN, ENERGY= BTU, WORK= HP, DUTY= BTU/HR, HTCOEF=BTU/HR, FOUL=HFF/B, CONDUCT= BTU/HR, VISCOSITY= CP, SURFACE= D/CM, LIQVOL= FT3, VAPVOL= FT3, SPVOL= FT3/LB, SPVVOL= FT3/LB, DENSITY= LB/FT3, XDENSITY=API or SPGR or DENSITY, { STDVAP(FT3/LB)= 379.49 and/or STDTEMP(F)=60 and/or STDPRESSURE(ATM)=1.0 } The OUTDIMENSION statement selects the dimensional units used to report results. When no OUTDIMENSION statement appears in the keyword file, PRO/II software prints results in the units used for problem input as defined in the DIMENSION statement. ADD
The ADD keyword instructs PRO/II software to generate a report in the default units, and an additional report using the dimensional units specified on the OUTDIMENSION statement. This is the default when an OUTDIMENSION statement is given.
or REPLACE
The REPLACE keyword on the OUTDIMENSION statement reports all results in the dimensions defined on the OUTDIMENSION statement. This replaces the default report that prints results in the dimensions used for problem input.
Chapter 5
GENERAL DATA 36
Adjusted Standard Conditions and Properties (optional)Error! Reference source not found. Two keywords define the standard conditions for both liquid and vapor phases. Prior to PRO/II software version 8.3.2, they applied only to vapor and did not affect liquid phase standard conditions. Refer to technical bulletin P2TB-10-1, Adjusted Standard Conditions and Adjusted Standard Properties, for a thorough discussion of applying these options. STDTEMP and/or Specifying one or both of STDTEMP and STDPRESSURE redefines STDPRESSURE the standard conditions used to compute molar vapor volume and adjusted standard specific volumes of liquids. STDPRESSURE defaults to 1.0 atmosphere. STDTEMP defaults to 60 F (ENGLISH) or 0.0 C (METRIC, SI). See STDVAP below to modify the standard vapor mole volume. and/or STDVAP This entry defines the standard volume occupied by one mole of vapor at standard temperature and pressure. Supplying this entry supersedes any value computed using supplied STDTEMP or STDPRES data. By default, this value is 379.49 cubic feet per pound-mole at 60 F, 1.0 atmosphere for ENGLISH units, or 22.414 cubic meters per kilogram-mole at 0.0 C, 1.0 atmosphere for METRIC or SI units. As in all previous versions of PRO/II software, this entry does not affect liquid phase calculations.
Calculation Options (optional) CALCULATION TRIALS= 20, RECYCLE= ALL or TEAR, TVPBASIS(F)= 100, RVPBASIS= APINAPHTHA or APICRUDE or P323 or D323 or D4953 or D5191, {INCHECK}, COMPCHECK=CALC or INPUT, MAXOPS= 1,000,000, {CDATA=VARIABLE} FLASH=DEFAULT or VER5 or ALTERNATE DVARIABLE= ON or OFF This optional statement specifies default options for the entire run. TRIALS
The TRIALS entry globally limits the number of iterations through each recycle loop. The default value is 20. See Section 17.4, “Recycle”, for information on setting the iteration limits separately for each recycle.
RECYCLE
This entry allows selection of the recycle streams considered to determine calculation convergence. The available options are: ALL All streams must meet convergence criteria to reach a successful solution of the problem. TEAR
TVPBASIS
Chapter 5
Only recycle tear streams must meet the convergence criteria to reach a solution.
This entry is relevant only when True Vapor Pressure calculations are requested; otherwise, it is ignored. The argument value defines the
GENERAL DATA 37
default temperature used as the basis for computing TVP. (This requires a TVP entry on a Thermodynamic METHOD statement.) RVPBASIS
INCHECK
This entry is relevant only when requesting Reid Vapor Pressure calculations; otherwise, it is ignored. (This requires an RVP entry on a Thermodynamic METHOD statement.) The available methods are: This method calculates RVP from the API Data Book APINAPHTHA Figure 5B1.1. This is the default method. APICRUDE
This method calculates RVP from the API Data Book Figure 5B1.2.
P323
This method calculates RVP using the ASTM D32379 rigorous simulation procedure.
D323
This method calculates RVP using the ASTM D32394 rigorous simulation procedure. This method requires the presence of air in the component list.
D4953
This method calculates RVP using the ASTM D495391 rigorous simulation procedure. It is intended to provide a consistent method for handling gasoline oxygenates. This method requires air in the component list.
D5191
This method calculates RVP using the ASTM D519191 rigorous simulation procedure. This method requires air in the component list.
Presence of this keyword prevents any calculations from occurring. All input processing and checking proceeds normally, generating error messages for any invalid data found in the input file. No further action occurs, and program execution terminates.
COMPCHECK
Presence of this keyword selects the option for checking if components are compatible with the thermodynamic methods and/or unit operations. The available options are: CALC
Check is made as each thermodynamic method or unit operation is used. Only components with non-zero values are checked. This is the default.
INPUT
Check at input processing only.
For example, if thermodynamic requires ENTHALPY(S), and data is not available, this will be flagged as an error during INPUT processing only if COMPCHECK=INPUT is enabled. This tests whether components contain sufficient data to work with solid handling unit operations. It may be necessary to switch the default data bank to SIMSCI on the LIBID statement in the Component Data Category to pass this test. MAXOPS
Chapter 5
This entry sets the maximum number of unit operations and branching decisions made during calculation time. The purpose of this feature is to
GENERAL DATA 38
protect against infinite or essentially infinite calculation loops. Very large input files with many unit operations and calculation loops may encounter the default limit of 1,000,000. If that occurs, increase the limit and run again. CDATA
This entry enables the various thermodynamic methods to have different component properties.
FLASH
This entry selects the flash algorithm to use throughout the entire simulation. The available options are:
DEFAULT
This entry uses the most current algorithm implemented beginning with PRO/II software v. 5.5. It allows the user to adjust the flash tolerance. This is the default method.
VER5
This selects the default algorithm available in PRO/II software v. 5.11 and earlier. It provides for the duplication of previous solutions. In general, the DEFAULT method solves to a tighter tolerance and is recommended over the VER5 method.
ALTERNATE
This entry selects an alternative flash algorithm, which is recommended when the DEFAULT method fails, especially when two liquid phases are expected.
DVARIABLE
This option enhances the accuracy of certain solutions in so-called “flat” situations, where the dependent (y) variable is somewhat insensitive to changes in the independent (x) variable. Refer to Figure 5-1. Figure 5-1: Effects of the DVARIABLE Option
ON
This activates the DVAR option and is the default setting. When a flat correlation is detected in the calculations, this forces changes in the independent variable to exceed changes in the dependent variable using the relationship: dx/dy < tolerance, which effectively drives the calculations toward an optimal solution. It is implemented selectively throughout PRO/II software for many calculations.
OFF
This setting disables the DVARIABLE option so a calculation that converges the dependent variable alone (within tolerance) is accepted as a solution. Use the OFF setting only in rare special circumstances when non-optimal solutions are desired.
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GENERAL DATA 39
Tolerances (optional) Many of the calculations in PRO/II software are iterative, and require certain relationships to be satisfied within specified tolerances to reach a solution. Some of the tolerances, such as those for flash calculations, are built into the program. Use these entries to enter custom tolerances for column calculations, product and unit performance specifications, and recycle convergence. Defaults exist for each of these tolerances. Individual tolerance values may be provided for columns (Section 12.1), “Specs, Constraints and Objectives”, (Section 10.4), and “Recycle” (Section 17.4). TOLERANCE STREAM= 0.01, -1.0, 0.01, 0.01, TEMP= -0.1, PRESSURE= 0.005, DUTY= 0.001, MISC= 0.003 FLASH=0.000003 This statement is optional. All specification tolerances may be expressed on either an absolute or relative basis. All except temperature default to a relative tolerance. To override a default tolerance, the following conventions are used. Positive values represent relative tolerances, and negative values represent absolute tolerances.
S calculated − S specified ≤ absolute tolerance
(5-1)
S calculated − S specified ≤ relative tolerance S specified
(5-2)
where S is the specification value.
Recycle Stream Convergence Tolerances STREAM dx, dt, dmin, dp 1.
This entry defines the tolerances for recycle stream convergence. The four arguments (in order) are:
The dx entry sets the component balance error tolerance. The default is 0.01.
2. The dt entry sets the stream temperature error tolerance. The default is -1.0 F. (The negative value indicates an absolute tolerance of 1.0 F or equivalent.) 3. The dmin entry sets the threshold for trace components. Components having a molar fraction less than this value are not considered in the error evaluation. The default is 0.01 of total stream composition. 4.
The dp entry sets the stream pressure error tolerance. The default is 0.01.
Convergence on a recycle stream is reached when changes in its component rates, temperature, and pressure fall within specified tolerances. Components, having a mole fraction greater than “c”, are only checked.
MAX
Chapter 5
C lt,r − C lt,−r1 C
t l ,r
≤ tolerance " a" for all components with xlt,r ≥ , " c"
(5-3)
GENERAL DATA 40
Trt − Prt −1 ≤ tolerance " b"
(5-4)
PrT − Prt −1 ≤ tolerance " d " Prt
(5-5)
where:
C lt,r
=
moles of component i in recycle stream r at trial t,
xlt,r
=
corresponding mole fraction
Trt
=
temperature of stream r at trial t
PrT
=
pressure of stream r at trial t
Example: E5-1: This statement sets the recycle component error tolerance to 5 percent for all components having a molar concentration greater than two percent. TOLERANCE STREAM= 0.05, , 0.02
Specification Tolerances (typically apply in unit operations) TEMP
This sets the absolute error tolerance for unit operation temperature specifications. The default is -0.1.
PRESSURE
This sets the absolute error tolerance for unit operation pressure specifications. The default is 0.005.
DUTY
This sets the absolute error tolerance for heater or cooler duty specifications. The default value is 0.001.
MISC
This sets the error tolerance on all other types of specifications, including unit operation parameter specifications. The default is 0.003. The absolute temperature, pressure, or duty tolerances are given in the current units of measure.
Global Flash Tolerance FLASH
Chapter 5
This sets the global error tolerance when the DEFAULT flash algorithm option is used. There are several embedded convergence loops in the PRO/II software flash algorithm. Each level uses this value to set an appropriate tolerance. A tighter tolerance tends to increase CPU time and, if tightened too much, will result in flash failures. A looser tolerance will solve the flash faster but may result in
GENERAL DATA 41
noisy derivatives for the controllers, optimizers, and recycle convergence algorithms. This entry is not valid if either the VER5 or the ALTERNATE methods are used. In these cases the user cannot change the tolerance of the flash unit operation. The default is: TOLERANCE FLASH=0.000003
Scale (optional) SCALE
STREAM=sid, RATE (M or WT or LV or GV)=value, {COMP=i,j}
This optional statement allows the user to scale a selected product stream to a desired flow rate. All other streams are scaled accordingly. PRO/II software will also scale most of the unit operations in the flowsheet. However, Table 5.2 gives the unit operations that will not be scaled by PRO/II software. Table 5.2 Non-SCALEable Unit Operations PIPE DEPRESSURING PLUGFLOW REACTOR HXRIG ROTARY DRUM FILTER
FILTERING CENTRIFUGE DISSOLVER CRYSTALLIZER COLUMNS WITH HYDRAULICS
PRO/II software generates an input error if any of the unit operations shown in Table 5.2 are present in a flowsheet that also includes a SCALE statement.
Sequencing (optional) SEQUENCE SIMSCI or PROCESS or ASENTERED or DEFINED=uid, uid, uid ... This optional statement allows the user to define the sequence in which unit operation calculations are performed to reach a solution to the problem. SIMSCI
This is the default sequencing method. It uses improved, state-ofthe-art algorithms developed by SimSci to determine the best sequence for calculation purposes.
PROCESS
This method originally appeared in the PROCESS (the predecessor of PRO/II software) simulation program. It determines the sequence based partially on the order in which the unit operations appear in the input file.
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GENERAL DATA 42
Before simulating a large flowsheet using either the PROCESS or SIMSCI sequencing methods, it is suggested that the INCHECK keyword be first used on the CALCULATION statement and the INPUT=SEQUENCE option selected on the PRINT statement in the General Data Category. The user can then provide estimates for the tear streams identified by this initial step before rerunning the problem.
ASENTERED
This is selected when the user wishes to execute the unit operations in the exact order listed in the Unit Operation Category.
DEFINED
This is selected when the user wishes to define the order in which the unit operations should be executed. If this keyword is selected, the calculation sequence of unit operations (uid, uid, ...) must be selected. Any units omitted from the list will be excluded from the flowsheet calculations. The format prior to PRO/II software version 3.3 for this feature was SEQUENCE
uid, uid, ...
This is still accepted and is equivalent to SEQUENCE DEFINED = uid, uid If the SEQUENCE statement is omitted from the input file, PRO/II software uses the SIMSCI sequencing method. Note that if the ASENTERED or DEFINED keyword is selected, PRO/II software never overrides the SEQUENCE unit operation order, even if it is incorrect.
Example E5-2: A PRO/II keyword file is coded as follows: TITLE SEQUENCE DEFINED=HX2, C1, F1 ... UNIT OPERATIONS FLASH UID=F1 ... HX UID=HX2 ... COLUMN UID=C1 ... SPLITTER UID=SP1 When the SEQUENCE statement is omitted, the calculation sequence F1, HX2, C1, SP1, is chosen by the default SIMSCI method. Using the SEQUENCE statement in Example E5-2, the calculated sequence is HX2, C1, and F1. The splitter, SP1, is skipped because it is missing from the sequence declaration.
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GENERAL DATA 43
This feature is useful for exploring alternate flow paths and zooming in on small subsets of larger flow sheets without disassembling the input file.
Solid Checking (optional) CHECK
SOLID
The CHECK statement is used to request checking for the presence of solids in hydrocarbon and hydrocarbon/water mixtures. When this option is selected, PRO/II software checks each stream in the final flowsheet solution. Solids forming components tested includes: CO2, H2S, and Benzene. Solids are reported as percent of total stream. Thus, if the stream is 80 moles H2S and 20 moles CO2, 20 percent solid means all the CO2 is solid.
Description of Simulation (optional) DESCRIPTION {text} Each keyword file allows up to ten DESCRIPTION statements, each containing descriptive text in the first 80 columns. Any text in column 81 or beyond is ignored. Text entered on DESCRIPTION statements appears on the first page of the results printout. Each statement begins with the keyword DESCRIPTION followed by a space. Any text may follow, including embedded blanks and delimiters. Each DESCRIPTION statement defines a single line of text, and continuation onto subsequent lines is not possible. Ampersands and asterisks only represent text, and do not indicate continuation on subsequent lines. Each line of descriptive text must appear on a separate DESCRIPTION statement.
Printout Options (optional) PRINT
Chapter 5
INPUT= PART or ALL or NONE or COMPONENT, THERMO, SEQUENCE, REFPROP, RPIN, RPBO, STREAM= ALL or COMPONENT or SUMMARY or NONE, RATE= M, WT, LV, GV, {FRACTION= M, WT, LV, GV}, {ASTD} {PERCENT= M, WT, LV, GV}, {TBP, WTFRAC}, {TRIAL=1 or 100}, {MBAL or MBALANCE=ON or OFF,} { KVT1(utemp)=temp1, KVT2(utemp)=temp2 }, { SEQMAP or SEQMAP=ON or OFF } {CPTIME, CAPTURE, INTERMEDIATE}, WIDTH= 80 or WIDTH=120 or 132, PLENGTH= 60, NOWARNING, SPTP=ON/OFF
GENERAL DATA 44
The PRINT statement provides many options that control printout by suppressing or requesting various sections of the final report. INPUT
This entry controls the reprinting of input data. Options include: NONE
When used, NONE disables all other printout options on the INPUT entry.
or PART
This is the default. It prints the COMPONENT input and SEQUENCE summaries.
or ALL
Prints the COMPONENT, THERMO, and SEQUENCE summaries.
COMPONENT Presence of this keyword prints data for all defined pure components.
STREAM
THERMO
This option reprints all data supplied in the Thermodynamic Data Category of input.
SEQUENCE
This option prints the unit operation calculation sequence. Starting in version 9.0, it is ON by default.
REFPROP
This option reprints the special refinery property values input by the user.
RPIN
This option reprints the special refinery properties generated by PRO/II software or those supplied by the user.
RPBO
This option reprints the special refinery properties generated by PRO/II software and input by the user.
This entry can suppress sections of stream results printout. By default, all sections of stream results are printed. Options include: ALL or COMPONENT or
This option prints all standard stream component rates and stream summary report (default). This prints the stream component rates report, but deletes the stream summary report.
SUMMARY or
This prints the stream summary report, but deletes the stream component rates report.
NONE
This deletes all reports of stream data from the results printout.
RATE
This prints stream component flow rates on a mole (M), weight (WT), liquid volume (LV), or gas volume (GV) basis. Specifying more than one basis results in multiple reports. The default report is on a mole basis only.
FRACTION
This prints stream component fractions on a mole (M), weight (WT), liquid volume (LV), or gas volume (GV) basis. Specifying more than one basis results in multiple reports.
PERCENT
This prints stream component percentages on a mole (M), weight
Chapter 5
GENERAL DATA 45
(WT), liquid volume (LV), or gas volume (GV) basis. Specifying more than one basis results in multiple reports. ASTD
Entering this key word adds adjusted standard properties to stream reports. The labels of properties at standard conditions explicitly include STD as part of the description. Labels of adjusted properties are identified with ADJ. For example, STD VAP RATE and ADJ VAP RATE report the vapor volume rate at (default) standard conditions and at user-adjusted (standard) conditions. The presence of this entry also automatically generates footnotes in the report that declare the standard conditions and the adjusted standard conditions used for the reported properties.
TBP
Presence of this keyword prints ASTM and TBP distillation reports for all appropriate streams in the flowsheet.
WTFRAC
This option causes each unit operation to print additional results on a weight basis, as if solids were present, even when no solids appear in the flowsheet.
TRIAL
This option prints intermediate stream compositions for all recycle loop streams at every trial through the loop if the value given is 1. This is the default if no value is given. If a value of 100 is given, the comprehensive recycle convergence tables are given for recycle tear streams only at every loop iteration. If the TRIAL keyword is not given, no intermediate results are given.
KVT1, KVT2
These entries provide the default reference temperatures (t1 and t2) for KVIS output.
MBALANCE
This option reports the overall mass balance on both molar and weight bases. It is included in the printed report by default.
ON
OFF
This default setting adds the material balance summary to the printed report. Starting with version 8.3.2, this setting is exported explicitly when generating a keyword input file from PROVISION software. Specifying this option excludes the sequence map from the printed report. When generating a keyword input file from PROVISION software, this setting is exported explicitly as MBALANCE=OFF.
CPTIME
This option reports the CPU time required for each unit operation.
CAPTURE
This option writes a full report of the calculation path used during flowsheet convergence to the history file. If omitted, only a partial trace is produced.
INTERMEDIATE WIDTH
Chapter 5
When selected, this option captures the Calculation history and interleaves it with the intermediate printout. This entry controls the width of the page used for printout. The options are 80, 120 or 132 columns wide. By default, a page width of 80 columns is used. If the WIDTH keyword appears without an argument, the page width is 132 columns.
GENERAL DATA 46
PLENGTH
The PLENGTH entry controls the maximum number of lines printed on a page. It does not define the physical length of the page. Any number of lines greater than zero may be specified. The default is 60.
NOWARNING
This entry will suppress all the warning messages in the output.
SEQMAP
This optional keyword generates an ASCII line diagram in the output report that displays the calculation order of all the units and the recycle loops used in the solution of the flowsheet. Options are: ON
This default setting adds the execution sequence map to the printed report. Starting with version 8.3.2, this setting is exported explicitly as SEQMAP=ON when generating a keyword input file from PROVISION software.
OFF
Specifying this option excludes the sequence map from the printed report. When generating a keyword input file from PROVISION software, this setting is exported explicitly as SEQMAP=OFF. ON – This is default option and enables printing the stream property table (SPT) or stream report writer (SRW) data in output.
SPTP
OFF- Selecting this option stops printing the SPT or SRW data in output.
Data Base Files (optional) DBASE DATA= {ALL or SEQUENCE, STREAM, PETRO, PROFILE, PDS} The DBASE statement writes selected data to files that may be used for a variety of purposes. Data files are named using the convention “fileid.P2I”, where “fileid” is the same as the current problem input file. fileid.P2I
This file is created whenever any of the SEQUENCE, PETRO, STREAM, PROFILE, or PDS options are selected. The file is a readable text file. When any of the DATA entry options SEQUENCE, PETRO, STREAM, PROFILE, or ALL are used, the selected data are written in the image of input statements. These statements may be inserted directly into another PRO/II input file.
DATA
This entry instructs PRO/II software to generate readable ASCII files that contains the data specified by the keyword arguments. At least one argument is required, but several may be specified. Using the DATA entry with no arguments produces an error. ALL
Chapter 5
or
This option writes a file “fileid.P2I” containing all data available by using the SEQUENCE, PETRO, STREAM, PROFILE, and PDS options.
SEQUENCE
Generates a SEQUENCE statement
GENERAL DATA 47
PETRO
Generates PETRO, NBP, SPGR, MW, PC, TC, and ACENTRIC statements for all pseudo components.
STREAM
Generates PROPERTY statements for all streams.
PROFILE
Generates statements defining temperature, pressure, vapor, and liquid profiles for distillation columns.
PDS
Generates a stream data file in “Load File Format” for importation into the Intergraph Process Design System.
Exergy Analysis (optional) EXERGY {TZERO(utemp)=value}, {PZERO(upres)=value} The EXERGY statement requests exergy (availability) calculations. The EXERGY keyword must be the first entry on the statement. All other entries are optional. Exergy calculations are performed after the flowsheet has solved, and therefore do not affect convergence.
TZERO
This entry specifies the reference or “zero” temperature used for the basis of exergy comparisons. If a value is omitted, a default value of 288.89 K (or 15.74°C, or 60.33°F) is used.
PZERO
This entry specifies the reference or “zero” pressure to be used for the basis of exergy comparisons. If a value is omitted, a default value of 1.01 bar (or 1 atmosphere, or 14.6959 psia) is used.
The availability function, B, is defined as: B = H – TS
(5-6)
where: H = enthalpy T = temperature S = entropy Exergy results are provided in the output report after the Stream Summary section in the form of two tables. The first table is the stream availability table. This table contains the following information: 1. 2. 3. 4. 5. 6. 7.
Stream flow rate Enthalpy Entropy Availability at the actual stream conditions - B(EXS) Availability at the reference temperature and actual stream pressure - B(TES) Availability at the reference temperature and reference pressure - B(EVS) Availability at a modified environmental state - B(MES)
Chapter 5
GENERAL DATA 48
The second table is the unit operations availability table, which contains the following information for each unit operation: 8. Availability balance 9. External work supplied 10. Heat duty
Example E5-3: Determine the availability for a 50/50 mixture of normal butane and normal hexane at 100 psia that is expanded through a pressure valve to 50 psia. The reference pressure for exergy calculations is specified as 14.7 psia. TITLE PROB=EXERGY EXERGY PZERO(PSIA)=14.7 COMPONENT DATA LIBID 1,NC4/2,NC6 THERMODYNAMIC DATA METHOD SYSTEM=SRKM STREAM DATA PROP STREAM=1,TEMP=100,PRESSURE=100, & COMP=50/50 UNIT OPERATION VALVE FEED 1 PROD V=2,L=3 OPERATION PRESSURE=50
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GENERAL DATA 50
6 – Component Data Keyword Summary This section provides a summary of the keyword input available in the Component Data category of input. Detailed documentation, along with examples of common usage of all the component features, is contained in a separate document, the Component Data Keyword Manual. Unless noted otherwise, references cited in this section refer to sections of the Component Data Keyword Manual.
Keyword Summary Category Heading Statement (required) COMPONENT DATA
Component Definition (conditional – Comp & Thermo Manual, Section 1.2) LIBID
i, library name, library number, alias/..., BANK= libid:bankid, ... (required, typically SIMSCI, PROCESS) {FILL=SIMSCI} The BANK entry now is required. See PRO/II Component Libraries and Additional Component Libraries under General Information later in this chapter for information about the new conventions for declaring libraries.
NONLIBRARY i, name/.., {FILL=SIMSCI} PETROLEUM(udens, utemp) i, name, MW, std liquid density, NBP/ ... PHASE DEFAULT= VL or LS or S or VLS, {VL= i, j,..., LS= i, j,..., S= i, j,..., VLS= i, j,...} The phase is declared individually for each component in the component libraries. The PHASE and DEFAULT entries modify the phase only in each simulation, not in the library files.
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 6
values given are defaults
COMPONENT DATA KEYWORD SUMMARY 51
Petroleum Component Characterizations (optional – Section 1.6) ASSAY
FIT= ALTERNATE or SPLINE or QUADRATIC or PDF(NONE, IP, EP, BOTH) CHARACTERIZE= SIMSCI or CAVETT or LK or CAV80 or EXTAPI or HEAVY MW= SIMSCI or CAVETT or LK or CAV80 or EXTAPI or HEAVY CONVERSION= API87 or API63, or EDOK or API94, CURVEFIT= CURRENT or VER6 or VER8, GRAVITY= WATSONK or PRE301, {TBPIP= 1, TBPEP= 98}, {NBP=LV or MID}, KVRECONCILE= TAIL or CURVE
CUTPOINTS
TBPCUTS= to, t1, ncuts {/t , ncuts/...}, {CUTSET=SIMSCI}, {BLEND=name}, {DEFAULT}
Component Definition for Synfuel Components (optional-Sec. 1.6) SYNCOMP
COMP#, {NAME, MW, DENS}, NBP, {TYPE, ZNUM, CNUM}
SYNLIQ(W or V or M)
COMP#, NAME, MW, DENS, NBP, P, O, N, A
Solid Attributes (optional - Section 1.7) ATTR
COMP= i, {PSD= s0, s1,...,} GENERAL=10, {GNAME=text1,text2,...}
Component Properties (optional - Section 1.8) Component Invariant Properties and Constants MW i, value/... SPGR i, value/… API i, value/… NBP(utemp) i, value/… ACENTRIC i, value/… VC(uspvol, uLvol, M or WT) i, value/… TC(utemp) i, value/… PC(upres) i, value/… ZC i, value/… RACKETT i, value/… CNUM i, value/… ZNUM i, value/… DIPOLE(udipo) i, value/… RADIUS(ulen) i, value/…
Chapter 6
COMPONENT DATA KEYWORD SUMMARY 52
SOLUPARA i, value/… MOLVOL(uspvo,uLvol,M or WT) i, value/… STDDENSITY(udens,uwt,uLvol) i, value/… HCOMBUST(uenth,uener,uwt, M or WT) i, value/… HVAPORIZE(uenth,uener,uwt, M or WT) i, value/… HFUSION(uenth,uener,uwt, M or WT) i, value/… NMP(utemp) i, value/… PTP(upres) i, value/… TTP(utemp) i, value/… GHV(uenth,uener,uwt, M or WT) i, value/... LHV(uenth,uener,uwt, M or WT) i, value/… SVTB i, value/… SLTB i, value/… SLTM i, value/… HVTB i, value/… HLTB i, value/… HLTM i, value/…
Component Invariant Special Properties The special refinery properties that may be defined in the Component Data Category are given in Table 8.3 of the Component Data Keyword Manual. property(qualifiers) {GAMMA=value, REFINDEX=value, REFVALUE(uprop)=value,} DATA(uprop) i,datvalue/... , INDEX i, indvalue/ ... For user-defined special refinery properties: SPROP(i) {GAMMA=1.0, REFINDEX=value, REFVALUE=value, NAME=text}, DATA i, datvalue/... , INDEX i, indvalue/ ... The SPROP qualifier i is any integer from 1 to 9999. Up to 60 SPROP statements may be given in any one problem.
Multi-property entries FORMATION(V or L or S, uenth, uener, uwt, M or WT) VANDERWAALS
Chapter 6
i, enthalpy, Gibbs/...
i, area, volume/...
COMPONENT DATA KEYWORD SUMMARY 53
Component Temperature-dependent Properties General format:
(phase, utemp, uprop, M or WT) CORRELATION= icorr, LN or LOG or EXPFAC=ipos, DATA= i, tmax, tmin, C1, ..., C8 /... or TABULAR= t1, t2, ....,/i, p1, p2, ..., /... types may be: VP(L or S, uprop, utemp), ENTHALPY(I or L or S, uprop, utemp, M or WT), CP(uprop, utemp, M or WT) LATENT(uprop, utemp, M or WT), DENSITY(L or S, uprop, utemp, M or WT), VISCOSITY(V or L, uprop, utemp), CONDUCTIVITY(V or L, uprop, utemp), SURFACE(L, uprop, utemp)
Component temperature dependent special properties KVIS(M or WT or LV) {GAMMA=value, REFINDEX=value, REFVALUE(ukvis)=value,} DATA(utemp, ukvis) t1, t2, /i, p1, p2, /... , INDEX(utemp) t1, t2, /i, p1, p2, /... If data or index values are not supplied, the kinematic viscosity is computed using the Twu method. Refer to Table 8.3 in the Component Data Keyword Manual for a complete list of available special properties. See the KVRECONCILE option on the ASSAY statement in the Component Data Input Data section for selecting the method for computing the end points of the KVIS curves.
Component Structural Data for UNIFAC (optional - Section 1.9) STRUCTURE GROUP
i, igroup(n)/...
igroup, Qj, Rj
Component Data Comments (optional) NOTES
Chapter 6
TEXT= descriptive text
COMPONENT DATA KEYWORD SUMMARY 54
General Information The Component Data Category defines the pure and pseudo components in the problem and, if necessary, defines or modifies component properties. All components encountered in a problem, except for assay stream components, must be defined in the Component Data category. All methods for processing assay data must be selected on the ASSAY statement of Component Data. Streams defined by distillation assay curves in the Stream Data Category are broken into pseudo-components based on the assay methods specified in the Component Data Category. Using keyword input, PRO/II software accepts an unlimited number of components.
PRO/II Component Library PRO/II software comes with extensive pure component databases containing thermodynamic property data for over 1,750 components. The components are tabulated in Chapters 3 through 5 of the Component Data Keyword Manual. The library contains several data banks that may contain different data for any specific component. The PROCESS data banks generally contain newer data values for the components present in the older SIMSCI data banks. The order of appearance of the data banks in the BANK entry determines the search order used to find data for components. Data for a specific component are extracted from the first databank in the search order where data for the component are found. Using different data results in different values for component properties, which in turn affect the results of the simulation calculations. All components capable of vapor-liquid phase behavior have sufficient information to be used with generalized K-value predictors and density calculations. Most components have built in transport property correlations. A majority of PRO/II simulations with pure components use (the data banks in) this library exclusively, and require no additional pure component data. Refer to the PRO/II Reference Manual for additional details on the structure of the pure component database and the information it contains. Beginning with PRO/II software version 8.0, the default order of component data libraries was changed to SIMSCI, PROCESS. Previously, the order was the reverse. To run keyword files from older versions of PRO/II software and continue to obtain the same results, ensure that the LIBID statement contains the entry: “BANK= PROCESS, SIMSCI”.
(for compatibility with PRO/II 7.x and earlier)
These entries (PROCESS and SIMSCI) still are valid keyword entries in this form. They are the default when creating a simulation using the PROVISION Graphical User Interface, but are required entries in keyword input files. The full form currently in use (originally implemented in PRO/II version 8.0) is: BANK= PROII9.0:PROCESS, PROII9.0:SIMSCI
Registering Component Data Libraries Libraries of component data may be created by users or obtained from other sources. Before they can be used, they must be registered so PRO/II software can find them. Registering libraries using the Thermodynamic Data Manager (TDM) may be accomplished as follows:
Chapter 6
COMPONENT DATA KEYWORD SUMMARY 55
1.
2. 3.
On the PRO/II menu bar, navigate to OptionsSimulation Defaults Component Databank…. This displays the Component Selection – Default Databank Search Order dialogue. Click the Thermo Data Manager… button to open the TDM program. Select FileOpen from the TDM menu bar. This opens the Select the library file dialogue shown in Figure 6-1.
.Figure 6-1: Registering The BioFuels Library in TDM 4. 5. 6.
Use the Directories list box to navigate to the directory containing the library. Highlight the library in the Files list box, then click OK. The library now is registered and is available for use or modification. Exit TDM to return to PRO/II application.
Chapter 6
COMPONENT DATA KEYWORD SUMMARY 56
Accessing Additional Component Libraries The format for declaring additional data banks changed to the current form starting with PRO/II version 8.0. Use the full form to identify any other libraries for use within PRO/II software. (the colons are required). PRO/II software now requires databank names in the form: libraryname:databankname in which the databankname contains up to 8 characters. The overall combination of libraryname: databanknameis limited to 256 characters or less. PRO/II software stores the entire libraryname:databankname text string for each data bank.These changes are the result of implementing the Thermodynamic Data Manager (TDM) subsystem in PRO/II software. As an example, the BIOFUELS databank in the BioLib library should be declared in the form: BioLib:BIOFUELS To include a library in the library search order used by PRO/II software, follow these steps. 1.
From the PRO/II menu bar, navigate to OptionsSimulation Defaults Library Selection…. This opens the PRO/II – Library Selection for Components and Thermodynamics dialogue shown in Figure 6-2.
Figure 6-2: Availability of Registered Libraries: Highlight the desired library in the Available System Libraries: list box and click the Include button. PRO/II software now is able to access the library.
Chapter 6
COMPONENT DATA KEYWORD SUMMARY 57
BIOFUELS Component Databank Installed with PRO/II Software Starting with version 8.3, PRO/II software includes a new library of biofuel components. The initial version includes a minimum amount of data for 49 components that commonly appear in many applications. The BioLib library includes a single databank named BIOFUELS. It is more fully described in the Although the library may be installed, it is not automatically registered by the PRO/II installation program. Register it and use it in the same manner as a user-defined databank, as described above.
User-defined Component Data Libraries The Thermodynamic Data Manager (TDM) allows users to create and maintain their own (user) libraries. Each library contains one or more databanks of component data. Each library must be registered before PRO/II software can use it. Refer to the (separate) TDM documentation for information about registering libraries.
Non-library Components Components not found in the PRO/II library may be entered as NONLIBRARY components. The format for entering user components is straightforward, however PRO/II users who do this regularly or need help in estimating unknown required properties should use SIMSCI’s Property Data Management functionality present in PRO/II to assist the user in determining all necessary component properties and develop a keyword file segment in PRO/II software ready form.
Petroleum Components PRO/II software handles petroleum components using industry standard characterization techniques. PRO/II software estimates all required component data given two out of three of molecular weight, boiling point, or gravity. Refer to the Component Data Keyword Manual for instructions on how to enter basic PETROLEUM data, how to change the default characterization procedures, and entering stream assay data.
Solid Components PRO/II software handles solids with particle size distributions and user-defined attributes. See the Component Data Keyword Manual for information on property data requirements for solid components and associated input format. The Component Data Keyword Manual also defines particle size intervals and GENERAL attributes. It also describes available methods for entering actual solid component attribute values.
Chapter 6
COMPONENT DATA KEYWORD SUMMARY 58
Component Properties The user may define or override component properties for all components in the simulation. This includes components in the PRO/II software component library, userdefined components, petroleum pseudo-components and solid forming components. The properties include constants (such as molecular weight or critical properties), as well as temperature dependent properties (such as enthalpies in various phase states). Where appropriate, properties may be given on a mole or weight basis. Refer to Chapter 8 of the Component Data Keyword Manual for supplying component properties.
UNIFAC Data Chapter 9 of the Component Data Keyword Manual discusses the methods for assigning UNIFAC structural groups and van der Waals parameters for pure components. As discussed starting in Section 2.1 and in the PRO/II Reference Manual, UNIFAC provides a means of estimating liquid activity coefficients when actual VLE or LLE data are unavailable.
Input Description Category Heading Statement (required) COMPONENT DATA The COMPONENT DATA statement has no entries and is required for all PRO/II simulations.
Remaining COMPONENT Data Category Statements The remaining Component Data Category statements are discussed in the Component Data Keyword Manual. A few additions that changed PRO/II software first appeared in version 8.2 or later. They are highlighted here.
Component Definition Petroleum Component Characterizations ASSAY FIT = ALTERNATE (changed in version 9.0 option) CURVEFIT= CURRENT or VER6 or VER8, (changed in version 8.2) KVRECONCILE= TAIL or CURVE, (additional option) FIT=ALTERNATE This option specifies the curve fitting procedure for user-supplied assay data. The default was changed to the ALTERNATE cubic spline method in version 9.0. Previously the default was SPLINE. The ALTERNATE method generally is considered to be an improved version of the SPLINE method. Refer to the ASSAY statement in chapter 6, Petroleum Component Properties, of the Component Keyword Input Manual. for information about all available curve fitting options for assay data. CURVEFIT
Chapter 6
The options for this entry were first changed in version 8.2 as follows:
COMPONENT DATA KEYWORD SUMMARY 59
The CURVEFIT entry specifies the method used to determine the end points of petro cuts. There no longer is a default method, so the assay statement now requires the CURVEFIT key word with one of the three available options. If either the keyword or the option is missing, PRO/II software generates an error. When importing a keyword file, PROVISION software displays a dialog and requires the user to specify one of the available options. VER6
This was the only method available prior to PRO/II software version 7.0. It curve-fits the three points at each end of the supplied data, then uses the slope of the curve to determine the end points (0% and 100% points).
VER8
Introduced in PRO/II software version 7.0 as the IMPROVED method, this was the default in versions 8.0 and 8.1. This option uses a cubic spline to determine the end points (0% and 100% points). A disadvantage of this is that the presence of zero-rate components corrupts the curve fitting.
CURRENT
Introduced in PRO/II software version 8.2, this enhances the cubic spline method of VER8 by omitting all components having a zero flow rate.
Chapter 6 in Volume 1 of the Component Data Keyword Manual discusses the CURFIT options in slightly more detail.
Component Data Comments (optional) NOTES
TEXT= descriptive text
The NOTES statement supplies an optional comment about the entire slate of components used in the simulation. Refer to Annotating Objects with Notes in Chapter 3, Input Conventions. TEXT
This entry specifies the actual Note. The body of the Note may be specified on multiple lines, but only the first 4096 characters are stored. Additional characters are processed and discarded. Only one comment regarding the component slate is permitted per input file.
Examples E6-1: An example of the Component Data section containing a NOTE follows. COMPONENT DATA NOTES TEXT= The component slate for this simulation contains & light hydrocarbons. LIBID 1, METHANE/ 2, ETHANE/ 3, IBUTANE/ 4, BUTANE .
Chapter 6
COMPONENT DATA KEYWORD SUMMARY 60
7 – REGRESS PRO/II’s REGRESS feature may be used to produce thermodynamic property binary interaction parameters from experimental or plant phase equilibrium data.
Keyword Summary Data Sets (one statement required, multiple statements allowed) DATASET SETID=setid, {DESCRIPTION=text*60,} TYPE=VLE or LLE or VLLE or HMIX or GAMMA or PROPERTY, FORMAT=frmkey, {COMPONENTS=cnoi /…,} {EXPLICIT_COMPS= cnoi /…,} =datid, {PCONST(upres)=value,} {TCONST(utemp)=value,} EXPDATA= val1, val2 {,val3, val4,...} /... , (Property Data) {PRVP(L or S, upres) or PRDENS(L or S, udens, basis) or PRCP(SOL, uCp) or PRENTH(V or L or S, basis) or PRLATENT(uenth, basis) or PRCOND(V or L or S, utcond) or PRVISC(V or L, uvisc) or PRSURF(usurf)} (Property or Equilibrium Data) {TUNIT(utemp)} (Equilibrium Data) {PUNIT(upres) or ENTHUNIT(uenth, basis) or VOLUNIT(uspvol, basis)}
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 7
values given are defaults
REGRESS 61
Analyses (one statement required, multiple allowed) ANALYSIS ANID=anlsid, {DESCRIPTION=text,} DATAID=datid, (Thermo Set for Equilibrium Data) METHOD=setid{,nparam} (Property Correlation) or CORR=corrno{,cno}, (Equilibrium Data) {ESTIMATE(K or KCAL or KJ or NO) = i,j,{par1}{,{par2},{par3},....}/... (Property Correlation) or CESTIMATE={{par1},{par2},....} & } {AZEOTROPE(M or W, upres, utemp)=i, j, pressure, temp, xi/...,} {MUTUAL(M or W, utemp)=i, j, temp, xiI, xjII /..., } {INFINITE(utemp)=i,j,temp,i,j/..., } {FIX(K or KCAL or KJ or NO)={value},parno{,i,j}/...,} {OBJECTIVE=objno, } {ITER=50, TOLERANCE=.000001, } {VERIFY,}{PRINT=NONE or PART or ALL, } {STORE}
Input Description Data Sets (one statement required, multiple statements allowed) DATASET SETID=setid, {DESCRIPTION=text*60,} TYPE=VLE or LLE or VLLE or HMIX or GAMMA or PROPERTY, FORMAT=frmkey, {COMPONENTS=cnoi /…,} {EXPLICIT_COMPS= cnoi /…,} =datid, {PCONST(upres)=value,} {TCONST(utemp)=value,} EXPDATA= val1, val2 {,val3, val4,...} /... , (Property Data) {PRVP(L or S, upres) or PRDENS(L or S, udens, basis) or PRCP(SOL, uCp) or PRENTH(V or L or S, basis) or PRLATENT(uenth, basis) or PRCOND(V or L or S, utcond) or PRVISC(V or L, uvisc) or PRSURF(usurf)} (Property or Equilibrium Data ) {TUNIT(utemp)} (Equilibrium Data) {PUNIT(upres) or ENTHUNIT(uenth, basis) or VOLUNIT(uspvol, basis)}
{ } entries are optional ( ) keyword qualifiers underlined keywords are default.
Chapter 7
values given are defaults
REGRESS 62
There may be an unlimited number of data sets or analyses in any one keyword file. However, each analysis may treat only a single data set. SETID
This required entry defines the data set ID. Dated
The data set ID, a unique name for the data set, of one to twelve alphanumeric characters.
DESCRIPTION
A textual description of the data set of up to 60 characters.
TYPE
This required entry defines the type of the data in the data set. Possible values are VLE, LLE, VLLE, HMIX, GAMMA and PROPERTY.
FORMAT
This required entry defines the format of the data to be supplied. frmkey
Valid entries for this format key are PT (Property-Temperature) for a property correlation, or, for equilibrium data, PTXY, TXX, PTXXY, PXY, PTX, TXY, HTX or TXG. These codes indicate the identity and order of the data in the columns of experimental data (see EXPDATA keyword below). The letters in the equilibrium data codes denote the following data types: P T H X Y G
COMPONENTS
pressure temperature excess enthalpy liquid composition vapor composition gamma (liquid activity coefficient)
This optional entry provides the subset of components from the COMPONENT DATA Category of input, present for the given data set. No component designation is necessary for a property correlation; if a component is identified, the component name will be reported with the correlation. For equilibrium-property data sets, the component set will default to the whole set from the COMPONENT DATA Category of input in the absence of this COMPONENTS keyword.
EXPLICIT_COMPS This optional entry specifies the explicit order of composition fractions or activity coefficients appearing in the data set as entered with EXPDATA. This is only applicable to equilibrium data sets. The number of explicit fractions entered can be, but is not required to be, one less than the number of components in the data set (with TXG data, one less is not allowed). When EXPLICIT_COMPS is not present, the number of components for which composition fractions are to be given with EXPDATA defaults to the number of components in the data set, and the component order for EXPDATA is ascending numerical order as in the COMPONENT DATA section.
Chapter 7
REGRESS 63
For the PTXY format, each data point of experimental data would be laid out with EXPDATA as P, T, x6, x3, y6, y3. x2 and y2 would each be calculated by difference. Example: To indicate a ternary system for which only two composition fractions of each type are given, you need to provide the following statements: …. COMP=2/3/6, EXPL= 6/3 & ... PCONST or TCONST
PCONST or TCONST sets temperature or pressure to a constant value for every point of the data set. When one of these keywords is used, the corresponding data column is eliminated from the experimental data to be entered with EXPDATA.
EXPDATA
This entry provides the experimental data.
val1, val2 {,val3, val4,...} /...
Data must be entered in tabular form, with slashes separating the rows of data.
The columns are in the order of the corresponding symbol. If data are supplied, at least two data points must be provided. Property type PRVP(phase, upres) Vapor pressure PRDENS Density PRCP Heat capacity PRENTH Enthalpy PRLATENT Latent heat PRCOND Thermal conductivity PRVISC Viscosity PRSURF Surface tension TUNIT
TUNIT is used to identify units for temperatures entered in EXPDATA. The default is the system temperature in-units. The units specified here are also used in all tables of the report. For Equilibrium Data and Excess Property regressions, the correlation temperature unit is always the SimSci internal unit, Kelvin. For Property Correlation regressions, however, the correlation temperature unit is influenced by the TUNIT specification. Certain correlation types, such as a polynomial, use the temperature in the units given with TUNIT. Other types, such as those involving ln(T) or 1/T terms, use the corresponding absolute temperature, i.e., K for TUNIT C or K, and R for TUNIT F or R.
PUNIT(upres) or ENTHUNIT (uenth, basis)
Chapter 7
These keywords are used for specifying units for pressure or enthalpy data entered with EXPDATA for Equilibrium Data regressions. The defaults are the system in-units. With enthalpies, only the molar basis is allowed.
REGRESS 64
Analyses (one statement required, multiple allowed) ANALYSIS ANID=anlsid, {DESCRIPTION=text,} DATAID=datid, (Thermo Set for Equilibrium Data) METHOD=setid{,nparam} (Property Correlation) or CORR=corrno{,cno}, (Equilibrium Data) {ESTIMATE(K or KCAL or KJ or NO) = i,j,{par1}{,{par2},{par3},....}/... (Property Correlation) or CESTIMATE={{par1},{par2},....} & } {AZEOTROPE(M or W, upres, utemp)= i, j, pressure, temp, xi /...,} {MUTUAL(M or W, utemp)=i, j, temp, xiI, xjII /..., } {INFINITE(utemp)=i,j,temp,i,j/..., } {FIX(K or KCAL or KJ or NO)={value},parno{,i,j}/...,} {OBJECTIVE=objno, } {ITER=50, TOLERANCE=.000001, } {VERIFY,}{PRINT=NONE or PART or ALL, }{STORE} Keywords ANID, DATAID and either METHOD or CORR are required. All others are optional. ANID
This required entry defines the analysis id. Anlsid
The analysis ID, anlsid, is a unique name for the analysis, one to twelve alphanumeric characters.
DESCRIPTION
A textual description of the data set of up to 60 characters.
DATAID
This required entry defines which data set will be used in the preset example. datid
METHOD
The dataset that corresponds to the desired SETID entry in the DATASET statement.
For equilibrium data or excess property regressions, the model to be fitted is identified in the Thermodynamic Data section of the input file, where it is part of a thermo set. Any model with binary parameters may be treated (see the Component Data Keyword Manual, chapters 4 and 5). METHOD identifies which thermo set, of possibly several, is to be used for the present regression analysis. If the model is NRTL or UNIQUAC, there is a choice of number of parameters. Choices other than the default are given on the METHOD statement with nparam.
Chapter 7
Model
Possible Number of Parameters
Default Number
NRTL
3, 5, 6, 8
5
UNIQUAC
2, 4
2
REGRESS 65
CORR
With regressions for Property Correlations, CORR enables input of the correlation number. Possible values are given in Table 17.5 of the PRO/II Keyword Manual. Those correlations which involve critical properties or the boiling point will require specification of the component number, cno. If the input file involves only a single component, cno will default to 1.
ESTIMATE(K or KCAL or KJ or NODIME)
ESTIMATE is used for input values, usually initial estimates, for the binary parameters of models for Equilibrium Data or Excess Property regressions.
i,j,{par1} {,{par2}, {par3},....}/...
Values for each i,j binary pair, where i and j are component numbers, are separated by slashes.
The number of parameters given for a particular binary pair has no effect on the number of parameters used per binary pair, this is a set value for the model or has been specified with the METHOD statement. All parameters for which (1) the value is missing or zero on the ESTIMATE statement, and for which (2) an initial estimate is not to be calculated from azeotrope, mutual solubility, or infinite-dilution activity coefficient data, and for which (3) the value is not fixed (see FIX below), will be estimated together by the SimSci nonlinear least squares algorithm (NONLN) in a preliminary initial estimation step. The FIX specification cannot be changed between the preliminary initial estimation step and the main regression procedure. Note that parameter values may be entered on either the ESTIMATE or the FIX statement. CESTIMATE
CESTIMATE is used with Property Correlation regressions, both to indicate the number of correlation parameters to use and also to enter parameter values. {{par1}, {par2}, ....} & }
The number of parameters given with CESTIMATE will be taken as the number of correlation parameters to use.
If a CESTIMATE statement is not present, the maximum number of parameters for the particular correlation type will be used. If the parameter value is missing on the CESTIMATE statement (blanks or nothing between commas), the parameter will be given an initial value of zero. If the last parameter value is missing, a final comma is required. All parameters for which the value is not fixed (see FIX below), will be taken as initial estimates. There is no preliminary initial estimation step. Note that parameter values may be entered on either the CESTIMATE or the FIX statement.
Chapter 7
REGRESS 66
AZEOTROPE (basis, upres, utemp) or MUTUAL(basis, utemp) or INFINITE(utemp)
REGRESS may calculate initial estimates for the liquid-activity (LACT) model parameters for a given binary i,j pair from data entered for the composition of a homogeneous azeotrope, for mutual solubilities in a liquid-liquid system, or for infinite-dilution activity coefficients. The keyword input for this is identical to that described in chapter 5 of the Component Data Keyword Manual for each of the various LACT methods. These initial parameter estimates will not be affected by any preliminary initial estimation step by the SIMSCI NONLN procedure (see ESTIMATE above). Any of parameter estimates from AZEOTROPE, MUTUAL or INFINITE may be fixed during the main regression calculation (see FIX below).
FIX(K or KCAL or KJ or NODIME)
FIX specifies which model parameters are to be held unchanged during the regression calculations. It may also be used to enter parameter values. Data entry is based on the parameter number parno. In the case of binary parameters, parno is the ordinal parameter number for the given binary pair. The default for the binary pair i,j specification is all binary pairs.
OBJECTIVE
OBJECTIVE is used to specify the objective function to be minimized in the regression. The statement is necessary only when there are alternative objective functions available (at present, only for Property Correlations or for PTXY data) and the user makes other than the default choice. The available objective function forms are listed as equations 71 through 7-11. Table 7.1 lists the identifiers of these forms. N
S = ∑ ( Proplexpt −Proplcalc ) 2
(7-1)
i =1
N
S = ∑ (1.0 − Proplcalc / Proplexpt ) 2
(7-2)
i =1
N
S = ∑ (1.0 − Proplcalc / Proplexpt ) 2
(7-3)
i =1
Chapter 7
REGRESS 67
N
NOC
i =1
j =1
S =∑
N
S =∑ i =1
NOC ∑ j =1
N
NOC
i =1
j =1
∑
N
NOC
i =1
j =1
S =∑
NOC
i =1
j =1
S =∑
∑
′ K ijcalc 1.0 = ′ K ijexpt
∑
Yijcalc 1.0 = Yijexpt
S =∑
N
Yijcalc 1.0 − Yijexpt
2
∑
2
2
P +1.0 − lcalc Plexpt
K ijcalc 1.0 = K ijexpt
K Dijcalc 1.0 = K Dijexpt
′′ K ijcalc +1.0 = ′′ K ijexpt
2
(7-4)
2
(7-5)
2
(7-6)
2
(7-7)
K Dijcalc +1.0 = K Dijexpt
2
(7-8)
N
S = ∑ ( H iexpt − H icalc ) 2
(7-9)
i =1
N
S = ∑ (Viexpt − Vicalc ) 2
(7-10)
i =1
N
NOC
i =1
j =1
S =∑
∑
γ ijcalc 1.0 = γ ijexpt
2
(7-11)
The objective functions available for each data format are listed in Table 7-1.
Chapter 7
REGRESS 68
Table 7-1: Objective Function and Data Formats Data Type
Data Format
Objective Function
PT
1 2 (default)
PTX
3
PXY
4
PTXY
4 5 (default) 6
LLE
TXX
7
VLLE
PTXXY
8
GAMMA
TXG
11
HMIX
HTX
9
VMIX*
VTX
10
Property Correlation Property Equilibrium Data VLE
Excess Property
* Data type VMIX is not yet implemented in PRO/II software
ITER
Maximum number of iterations allowed before the regression is terminated. The default is 50. The ITER limit applies to each separate call to the NONLN or ODR routines.
TOLERANCE
The value to which the objective function must be reduced before the regression problem is considered solved. The default is 0.000001.
VERIFY
VERIFY specifies that the model evaluation using the initial parameter values is to be reported. No regression calculations will be performed other than initial parameter calculations from azeotrope, mutual solubility, or infinite-dilution activity coefficient data.
PRINT
PRINT controls the amount of information in the calculation history.
Chapter 7
REGRESS 69
The PART option, which is the default, produces a table of parameter and objective-function progress during NONLN calculations, and a table of objective-function progress during ODR calculations. The ALL option produces the maximum information available. STORE
Chapter 7
When STORE is specified, the parameter values resulting from REGRESS will be stored with the other thermo set information for use in a subsequent flowsheet simulation (specified in the same keyword input file).
REGRESS 70
8 – Thermodynamic Keyword Summary Keyword Summary This section provides only a summary of the options available in the Thermodynamic Data Category. Detailed documentation, along with examples of common usage of all the thermodynamic features, is contained in a separate document, the Thermodynamic Data Keyword Manual. Unless noted otherwise, sections referenced in this chapter refer to sections in that manual.
Heading Statement (required) THERMODYNAMIC DATA
The METHOD Statement (required) Selecting a Predefined System of Methods METHOD SYSTEM(VLE or VLLE)= option, {SET=setid, DEFAULT}, {KVALUE(SLE)= option}, {L1KEY= i and L2KEY= j}, {KVALUE(VLE or LLE or VLLE)=option, {MEOH=ON or OFF} ENTHALPY=option, DENSITY=option, ENTROPY=option}, {RVPMETHOD}, {TVPMETHOD} {PHI= option}, {HENRY} or
TRANSPORT= NONE TRANSPORT= PURE or NONE or PETRO or TRAPP or TACITE or U1 or U2 or U3 or U4 or U5 property(qualifier)=method}
(Special Properties Volume II, Chapter 8)
Selecting Individual Methods METHOD SET= setid, {DEFAULT}, KVALUE(VLE)= option, {KVALUE(SLE)=option}, {KVALUE(LLE)= option}, {L1KEY= i and L2KEY= j}, {PHI= option}, {HENRY}, {MEOH=ON or OFF}
or
or KVALUE(VLLE)= option, {L1KEY= i and L2KEY= j}, {KVALUE(SLE)= option}, {PHI= option}, {HENRY}, ENTHALPY(VL)= option ENTHALPY(V)= option and ENTHALPY(L)= option,
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 8
values given are defaults
THERMODYNAMIC DATA KEYWORD SUMMARY 71
DENSITY(VL)= option or DENSITY (V)= option and DENSITY (L)= option, ENTROPY(VL)= NONE or ENTROPY(V)= option and ENTROPY(L)= option, {RVPMETHOD}, {TVPMETHOD}, TRANSPORT= NONE or TRANSPORT=PURE or PETRO or TRAPP or TACITE or U1 or U2 or U3 or U4 or U5 or VISCOSITY(VL)= NONE or VISCOSITY(VL)= PURE or PETRO or TRAPP or U1 or U2 or U3 or U4 or U5 or VISCOSITY(V)= PURE or PETRO or TRAPP or BW or U1 or U2 or U3 or U4 or U5 and/or VISCOSITY(L)= PURE or PETRO or TRAPP or SIMSCI or API or KVIS or LBC or TWUB or APIT or HEAVY or TWOE or MWOE or LWOE or STWOE or SMWOE or SLWOE or U1 or U2 or U3 or U4 or U5 and/or CONDUCTIVITY(VL)=NONE or CONDUCTIVITY(VL)=PURE or PETRO or TRAPP or U1 or U2 or U3 or U4 or U5 or CONDUCTIVITY(V)= PURE or PETRO or TRAPP or U1 or U2 or U3 or U4 or U5 and/or CONDUCTIVITY(L)= PURE or PETRO or TRAPP or LATINI or 8API or API96 or API96H or NBS or U1 or U2 or U3 or U4 or U5 and/or SURFACE= PURE or PETRO or PARACHOR or API82 or APIH or U1 or U2 or U3 or U4 or U5 and/or DIFFUSIVITY (L) = NONE or DIFFUSIVITY(L)=WILKE or DIFDATA
Chapter 8
THERMODYNAMIC DATA KEYWORD SUMMARY 72
Method-Specific Water Options (Volume II: Chapter 1) WATER DECANT= ON or OFF, {GPSA}, SOLUBILITY= SIMSCI or EXTSIMSCI or KEROSENE or EOS or LUBE or NAPH or APIKERO or PARA or GASO or JP3 or JP4 PROPERTY= IF97 or STEAM or SATURATED ENTHALPY= PROPMETHOD or USER
Property Statements (optional) Vapor-Liquid Equilibrium Options (optional) KVALUE(VLE) POYNTING= OFF or ON, MOLVOL= STANDARD or RACKETT or RCK2 or LIBRARY, {BANK= SIMSCI or ALCOHOL or GLYCOL or NONE or bankid} or {BANK=PROII_9.0:SIMSCI, PROII_9.0:ALCOHOL, PROII_9.0:GLYCOL, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} AZEOTROPE= SIMSCI or NONE or bankid {WRITE= fileid} FILL = NONE or GAO or GOR or CPHC or UNIFAC or CIUNIFAC or UFT1, etc., {ALPHA= ACENTRIC or SIMSCI or bankid} or or FILL=PR, and ALPHA=ACEN {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} (default depends on method) ... Only the STANDARD option is available for molar liquid volume (MOLVOL) calculations when the WILSON K-value method is selected. With METHOD SYSTEM=PRH, the KVAL(VLE) statement allows only the form: KVAL(VLE) ALPHA=ACEN, FILL=PR The ALPHA=ACEN entry is required with FILL=PR to ensure that the fill calculations use the same alpha formulation as the base PR method, since by default the PRH method uses ALPHA=SIMSCI.
Liquid-Liquid Equilibrium Options (optional) KVALUE(LLE) {BANK= SIMSCI or ALCOHOL or GLYCOL or NONE or bankid} or { BANK=PROII_9.0:SIMSCI, PROII_9.0:ALCOHOL, PROII_9.0:GLYCOL LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} FILL= NONE or UNIFAC or CIUNIFAC or UFT1 or REGULAR or FLORY, AZEOTROPE= SIMSCI or NONE or bankid {WRITE= fileid} {ALPHA= ACENTRIC or SIMSCI or bankid} or { } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 8
values given are defaults
THERMODYNAMIC DATA KEYWORD SUMMARY 73
{BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} (default depends on method) ... PRO II supports a library:databank name of up to 256 characters. The databank name may have 8 characters and the combination of libraryname: databankname must be 256 characters or less. The full libraryname:databank text string is stored in the PRO/II database.
Solid-Liquid Equilibrium Options (optional –Volume II: Chapter.7) KVALUE(SLE) FILL=VANTHOFF or ONE or FREE SOLUTE i, j, ..... SOLDATA(utemp) i, l, c1, c2, c3, / ...
Diffusivity Options (optional - Chapter.7) DIFFUSIVITY(L) DIFDATA (utemp)
i, j, c1, c2, c3 / ...
Vapor Fugacity Options (optional - Volume II :Chapter.6, pg II-6.68 to ii-6-76) PHI
{BANK= SIMSCI or NONE or bankid} or { BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, DIPPR, bankid...} {ALPHA= ACENTRIC or SIMSCI or bankid} or BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} ...
Henry's Law Options (optional - Volume II :Chapter.6, page II-6-62) HENRY
{BANK= SIMSCI or NONE or bankid} or { BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} SOLUTE i, j, ... HENDATA(upres, utemp) i, l, c1, c2, c3, c4 / ...
Density Options (optional) DENSITY(VL) {BANK= SIMSCI or NONE or bankid} or { BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} {ALPHA= ACENTRIC or SIMSCI or bankid} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} or DENSITY(V) {BANK= SIMSCI or NONE or bankid} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} {ALPHA=ACENTRIC or SIMSCI or bankid} or
Chapter 8
THERMODYNAMIC DATA KEYWORD SUMMARY 74
{BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} and/or DENSITY(L) {BANK= SIMSCI or NONE or bankid} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, DIPPR, bankid...} {ALPHA= ACENTRIC or SIMSCI or bankid} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} ...
Enthalpy Options (optional) ENTHALPY(VL)
or ENTHALPY(V)
and/or ENTHALPY(L)
{BANK= SIMSCI or NONE or bankid,} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} {ALPHA=ACENTRIC or SIMSCI or bankid} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} HMIX= IDEAL or GAMMA or RK1 or RK2 {BANK= SIMSCI or NONE or bankid,} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} {ALPHA=ACENTRIC or SIMSCI or bankid} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} {BANK= SIMSCI or NONE or bankid,} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} {ALPHA=ACENTRIC or SIMSCI or bankid} or {BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} HMIX= IDEAL or GAMMA or RK1 or RK2
...
Entropy Options (optional) {ENTROPY(VL) BANK= SIMSCI or NONE or bankid} or { BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} {ALPHA=ACENTRIC or SIMSCI or bankid} or { BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} or {ENTROPY(V) BANK= SIMSCI or NONE or bankid} or { BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} {ALPHA= ACENTRIC or SIMSCI or bankid} or { BANK=PROII_9.0:SIMSCI,
Chapter 8
THERMODYNAMIC DATA KEYWORD SUMMARY 75
LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} and/or {ENTROPY(L) BANK= SIMSCI or NONE or bankid} or { BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} {ALPHA= ACENTRIC or SIMSCI or bankid} or { BANK=PROII_9.0:SIMSCI, LIBRARY1:USER1, LIBRARY1:USER2, LIBRARY1:bankid...} ...
User-Supplied K-value Data (optional – Volume II: page II-3-32) (Use with KVALUE statements) KVALUE(VLE or LLE) KDATA
CORR=icorr, LN or LOG or EXPFAC=ipos, PREF(upres)=value DATA=i, tmax, tmin, c1, ...c8/ ...
KDATA
TABU=t1, t2, .../ i, p1, p2, .../ ..., PREF(upres)=value
or Binary Interaction Data (optional) (Use with KVALUE, PHI, DENSITY, ENTHALPY, or ENTROPY statements)
BWRS Equation Of State Data (optional - Volume II: Ch. 4, pg II-4-33) BWRS
i, j, kij / ...
HEXAMER Equation of State Data (optional – Vol. II: Ch. 4, pg II-4-33) HEXA(K or R)
i, j, kija, kija, kijb, kjib, kijc, kjic, cij, cii / ...
LKP Equation Of State Data (optional - Volume II: Chapter 4, pg II-4-41) LKP
i, j, kij / ...
Hayden-O'Connell Data (optional - Volume II: Chapter 6, pg II-6-68) (For vapor fugacity, vapor density, vapor enthalpy, and vapor entropy) HOCV
i, i, nii / i, j, nij/ ...
Truncated Virial Data (optional - Volume II: Chapter 6, pg II-6-72) (For vapor fugacity) TVIRIAL
i, ηi
IDIMER Data (optional - Volume II: Chapter 6, pg II-6-76) (For vapor fugacity, vapor density, vapor enthalpy and vapor entropy)
Chapter 8
THERMODYNAMIC DATA KEYWORD SUMMARY 76
IDIMER
i, i, Aii, Bii/ i, j, Aij, Bij/ ...
Redlich-Kister Excess Properties Data (optional - Volume II: pg II-6-80) (Currently for heat of mixing only) RK1(K or KCAL or KJ) i, j, aij, bij, cij, dij, eij, fij, gij, hij, / ... or RK2(K or KCAL or KJ) i, j, aij, bij, cij, dij, eij, fij, gij, hij, / ...
Soave-Redlich-Kwong or Peng-Robinson Equation of State Interaction Parameters (optional - Volume II: Chap. 4 ) SRK(K or R) or PR(K or R) or SRKKD(K or R) or SRKP(K or R) or PRP(K or R) or SRKM(K or R) or PRM(K or R) or
i, j, kija, kijb, kijc / ...
i, j, kija, kijb, kijc / ... i, j, kija, kjia, kijb, kjib, kijc, kjic / ...
i, j, kija, kjia, kijb, kjib, kijc, kjic cij, cji / ...
SRKH(K or KCAL or KJ) or PRH(K or KCAL or KJ) or SRKS(K or R)
i, j, aij, bij, cij, aji, bji, cji, αij, βij / ...
i, j, kija, kjia, kijb, kjib, kijc, kjic cij, cji / ...
Liquid Phase Activity Binary Interaction Data (Vol. II: Chap.6) NRTL Data (optional – Volume II, Chapter 6, page II-6-2) NRTL3(K or KCAL or KJ)
i, j, bij, bji, αij, / ...
NRTL(K or KCAL or KJ)
i, j, aij, bij, aji, bji, αij, / ...
or or NRTL6(K or KCAL or KJ)
i, j, aij, bij, aji, bji, αij, βij / ...
NRTL8 (K or KCAL or KJ)
i, j, aij, bij, cij, aji, bji, cji, αij, βij / ...
or
UNIQUAC Data (optional - Volume II, Chapter 6, page II-6-7) UNIQUAC(K or KCAL or KJ) i, j, aij, aji / ... and/or UNIQ4(K or KCAL or KJ) i, j, aij, aji, bij, bji / ...
Chapter 8
THERMODYNAMIC DATA KEYWORD SUMMARY 77
Wilson Data (optional - Volume II, Chapter 6, page II-6-31) WILSON(K or KCAL or KJ or NODIME)
i, j, aij, aji / ...
Van Laar Data (optional - Volume II, Chapter 6, page II-6-36) VANLAAR
i, j, aij, aji / ...
Margules Data (optional - Volume II, Chapter 6, page II-6-42) MARGULES
i, j, aij, aji, dij, / ...
Flory-Huggins Data (optional – Volume II, Chapter 6, page II-6-50) FLORY
i, j,
χ ij
/ ...
Other Binary Data For Liquid Activity Methods (Vol. II: Chap. 1) (For use with liquid activity methods, such as all forms of NRTL, UNIQUAC, Wilson, van Laar, and the Margules methods.) AZEOTROPE(basis, upres, utemp)
i, j, pressure, temp, xi / ...
INFINITE(utemp)
γ i∞ , γ ∞j
i, j, temp,
MUTUAL(basis, utemp) i, j, temp, IDEAL
xill , x llj
/ ...
/ ...
i, j / ...
Henry's Law Data (optional – Volume II :Chapter 1) SOLUTE
i, {j ...}
HENDATA(pres, temp)
i, l, c1, c2, c3, c4 / ...
UNIFAC Group Contribution Data (optional – Volume II, Chapter 6, pg II-6-15) (For K-value calculations only) UNIFAC(K or KCAL or KJ) l, k, Alk, Akl / ... UNIFT1(K) l, k, alk, akl, blk, bkl, clk, ckl / ... or UNIFT2(K)
l, k, alk, akl, blk, bkl, clk, ckl / ...
or UNIFT3(K) l, k, alk, akl, blk, bkl, clk, ckl / ... UNFV(K or KCAL or KJ) l, k, alk, akl / ...
UNIWAALS Modified Group Contribution Interaction Data (Vol. II, Chap 4) UNIFT1(K) l, k, alk, akl, blk, bkl, clk, ckl / ... UNIFAC(K or KCAL or KJ) l, k, Alk, Akl / ...
Chapter 8
THERMODYNAMIC DATA KEYWORD SUMMARY 78
Pure Component Alpha Formulations (optional – Volume II :Chapter 4) (Used with PR, SRK, or UNIWAALS methods) PA01 or SA01 or VA01 PA02 or SA02 or VA02 PA03 or SA03 or VA03 PA04 or SA04 or VA04 PA05 or SA05 or VA05 PA06 or SA06 or VA06
i, c1 / ... i, c1, c2, c3 / ... i, c1, c2 / ... i, c1, c2 / ... i, c1, c2 / ... i, c1, c2, c3 / ...
PA07 or SA07 or VA07 PA08 or SA08 or VA08 PA09 or SA09 or VA09 PA10 or SA10 or VA10 PA11 or SA11 or VA11
i, c1 / ... i, c1, c2, c3 / ... i, c1, c2, c3 / ... i, c1, c2 / ... i, c1, c2 / ...
User Supplied Woelflin Liquid Viscosity Data (optional – Vol. II : Chap. 8) (Only for VISCOSITY(L)= TWOE, STWOE, MWOE, SMWOE, LWOE or SLOWE) VISCOSITY(L) INVERSION value (range 0.0 through 100.0) RATIO valuect1, wfval1 { / valuect2, wfval2 / ... / valuectn, wfvaln } valuect = cut point fraction, wfval = fraction water st cut point
Special Property Methods Data (optional – Volume II : Chapter 8) property(qualifier) {GAMMA=value, REFINDEX=value, REFVALUE(uprop)=value}, {NCFILL=ncfill}, {NCBLEND=ncblend} DATA(uprop) i,datvalue/... INDEX i, indvalue/ ...
Method-Specific Pure Component Data (optional – Volume II :Chap 9) TC(utemp) i, value/... PC(upres) i, value/... VC(uSpVo, M or WT) i, value/... ZC i, value/... ACENTRIC i, value/... NBP(utemp) i, value/... MOLVOL(uSpVo, M or WT) i, value/... DIPOLE(udipo) i, value/... RADIUS(uleng) i, value/... SOLUPARA i, value/... RACKETT i, value/... WDELT i, value/...
Chapter 8
THERMODYNAMIC DATA KEYWORD SUMMARY 79
PARACHOR i, value/... PENELOUX(uSpVo) i, value/...
User-Added Subroutine Data (optional – Vol. II: Chap. 5, pg. II-5-29) (See the PRO/II Data Transfer and User-Added Subroutines User’s Guide.) UDATA i, value / ...
Thermodynamic Method Annotation Notes (optional) NOTES
TEXT=Notes Line
The NOTES statement supplies optional comments for any of your thermodynamic methods. Refer to Annotating Objects with Notes in chapter 3, Input Conventions. TEXT
This entry specifies the actual Note. The body of the Note may extend over multiple lines, but only the first 4096 characters are stored. Additional characters are processed and discarded. This statement must appear after the METHOD statement of the thermodynamic set being annotated.
Examples E8-1: Demonstration of the FILL option This example demonstrates using a FILL option to include binary Kij data when using the SRK cubic equation of state to compute K values. FILL options available when using a liquid activity method are different from the options available for cubic equations of state. Refer to the Thermodynamic Data Keyword Manual for an extensive discussion of all the FILL options available for use in thermodynamic METHOD sets. (FILL options for component data are described in the Component Data Keyword Manual.) THERMODYNAMIC DATA METHOD SYSTEM = SRK KVALUE FILL=GAO
E8-2: Thermodynamic Data sections with NOTES THERMODYNAMIC DATA METHOD SYSTEM = PR, DENS(L) = LK, SET = DEFAULT NOTES TEXT = This is the default thermodynamic set for the & simulation.
Chapter 8
THERMODYNAMIC DATA KEYWORD SUMMARY 80
METHOD SYSTEM = SRK, SET = BVLE NOTES TEXT = ”Additional thermodynamic set for use with BVLE unit 1 && BVLE unit 2.”
Note the final ampersands (&) at the end of the lines are continuation marks not included as part of the note. The next-to-last ampersand in “BVLE unit 1 && BVLE unit 2” is part of the note because it does not appear as the last character on the line of text. The stored note reads: “Additional thermodynamic set for use with BVLE unit 1 & BVLE unit 2.” E8-3: User-Supplied Data for Woelflin Liquid Viscosity of an Emulsion Woelflin correlations calculate the liquid viscosity of water-brine emulsions. The implementation in PRO/II software includes a standard set of all required water fraction data. As an alternative, users may supply their own data to replace the built-in values. First declare a Woelflin correlation for the liquid viscosity on the METHOD statement. Add Woelflin data statements following the METHOD statement. The partial input shown below demonstrates the correct usage of the keyword statements. THERMODYNAMIC DATA METHOD SYSTEM(VLLE)=SRKM, TRANSPORT=PETR, & VISCOSITY(L)=TWOELF, SET=SET01 VISCOSITY(L) INVERSION 0.8 RATIO 1,0/1,0.1/2,0.2/5,0.3/12,0.4/30,0.8
Chapter 8
THERMODYNAMIC DATA KEYWORD SUMMARY 81
9 – Stream Data Keyword Summary Category Heading (required) STREAM DATA
Streams Defined with Pure Components (optional — Section 9.1) (For COLUMN feeds, pressure defaults to feed tray pressure) PROPERTY STREAM=sid, {NAME=text}, {SET=setid} (Temperature and pressure fixed) TEMP(utemp)=value and PRESSURE(upres)=value, {PHASE= M or V or L} or (Phase fixed) TEMP(utemp)= value or PRESSURE(upres)=value, PHASE=L or V or LFRAC(basis)= value, COMPOSITION(basis)=i, value/..., { NORMALIZE } { RATE(basis, urate)=value, or RATE( LV or GV, urate, ASTD) }
Streams With Assay Data (optional — Section 9.2) Overall Stream State (required) (For COLUMN feeds, PRESSURE defaults to feed tray pressure) PROPERTY STREAM= sid, RATE(WT or LV, urate)= value, ASSAY= LV or WT, {BLEND=name or XBLEND=name}, {NAME=text}, (Temperature and pressure fixed) TEMP(utemp)=value and PRESSURE(upres)=value, PHASE= M or V or L, or (Phase fixed) TEMP(utemp)= value or PRESSURE(upres)=value, PHASE=L or V or LFRAC(LV or WT)= value
Distillation Data (required) D86
DATA= pct, value / pct, value / ..., {TEMP= K or C or R or F, STREAM=sid}, PRESSURE(MMHG)=760.0, {CRACKING}
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 9
values given are defaults
STREAM DATA 83
or TBP or DATA= pct, value / pct, value/ ..., D1160 {TEMP= K or C or R or F, STREAM=sid}, {PRESSURE(MMHG)= 760.0}, or D2887 DATA= pct, value / pct, value / ..., {TEMP= K or C or R or F, STREAM= sid}
Gravity Data (required) Standard liquid gravity measured at 60 F (15.5 C). API or AVERAGE= value, {STREAM= sid}, SPGR or {DATA= pct, value / pct, value / pct, value / ...} WATSONK
Molecular Weight (optional) MW DATA= pct, value / pct, value / pct, value / ..., {AVERAGE= value, STREAM= sid}
Light ends Data (optional) LIGHTEND COMPOSITION (M or WT or LV or GV)= i, value/ ..., {RATE (M or WT or LV or GV)= value or FRACTION(WT or LV)= value or PERCENT(WT or LV)= value or MATCH or NOMATCH}, {STREAM= sid, NORMALIZE}
Special Property Data (optional) property {STREAM=sid}, AVERAGE=value, and/or DATA(qualifier)=pct, value/... The special refinery properties that may be given in the Stream Data Category are listed in Table 9.2-2. Additionally, the Thermodynamic Data set must declare a method for calculating each special property. Refer to the sections that discuss Special Properties in the Thermodynamic Data Keyword Manual.
SPROP(i) {STREAM=sid}, AVERAGE=value, and/or DATA=pct, value/... KVIS
{STREAM=sid}, { } entries are optional ( ) keyword qualifiers underlined keywords are default.
Chapter 9
values given are defaults
STREAM DATA 84
{TEMP(utemp)=t1,t2}, AVERAGE(ukvis)=value , value, and/or DATA(utemp, ukvis)= t1, t2 / pct, valuet1, valuet2 / pct, value t1,value t2/... See the KVRECONCILE option on the ASSAY statement in chapter 6, Component Data for selecting the method for computing the end points of the KVIS curves. The SPROP qualifier is any integer from 1 to 9999. The number of SPROP statements given for any one problem must be 60 or less.
Streams That Reference Other Streams (optional — Section 9.3) PROPERTY STREAM= sid, REFSTREAM= sid, {NAME= text}, {TEMP(utemp)= value, PRESSURE(upres)= value}, { RATE(M or WT, urate)= value or RATE(LV or GV, urate, {ASTD}) }
Stream Solids (optional — Section 9.4) Solids Rate and Composition SOLID COMPOSITION(WT or M)= i, value / ..., {RATE(WT or M)= value, STREAM= sid, NORMALIZE} Solids Particle Size Distribution PSD
COMPONENT= i, j, DATA= value, value, ..., {STREAM= sid}
Solids GENERAL Attributes GENERAL COMPONENT= i, j, DATA= value, ..., {STREAM= sid}
Naming Streams (optional — Section 9.5) NAME
sid, name1, {name2, name3} / ...
Industry Specific/User-Defined Stream Printout Requests (optional — Comp & Thermo Section 9.5) OUTPUT
FORMAT=GAS, CHEMICAL, REFINE, PROPLIST, MATERIAL, SHORTPROP, STREAMSUMM, DRYSTREAMSUMM, COMPMOLAR, FREEWATERPROP, DRYREFINERY, COMPWEIGHT, format-id, {NSTREAM= no, DESCRIPTION= text}, {STREAMS= ALL or STREAMS= sid, SPTP=ON/OFF, ...}
Chapter 9
STREAM DATA 85
User-Defined Output Formats (conditional — Section 9.5) FORMAT ID=format-id, {TITLE=text, SID, NAME, NUMBERING=SEQUENCE or COMP or NONE, PAGE, LINE, PHASE, LINK, DOUBLINE, THERMO, TEXT, WET or DRY, STD, NML, XSI, TOTAL or LIQUID or VAPOR or SOLID or AQUEOUS, TEMPERATURE(utemp), PRESSURE(upres), RATE(urate {, ASTD}), ARATE(LV or GV or M or WT), SRATE (urate, MMG), CRATE(urate, i, j), SCRATE( ulvrate or ugvrate, I, j) CPCT(upct, M or WT or LV or GV, i, j), CFRAC(ufrac, M or WT or LV or GV, i, j), FWPCT(upct, M or WT or LV), FWFRAC(ufrac, M or WT or LV), TWPCT(upct, M or WT or LV), TWFRAC(ufrac, M or WT or LV), HCWPCT(M or WT or LV), HCWFRAC(M or WT or LV), FWTH(uduty), FWENTHALPY(M or WT, uenth), FWET(M or WT, uentro), LRATE(urate, i, j)=name, LPCT(upct, M or WT or LV), LFRAC(ufrac, M or WT or LV), VFRACTION(ufrac, M or W ), SFRACTION(ufrac, M), ENTHALPY(M or WT, uenth), HTOTAL (uduty), ENTROPY(M or WT, uentro), STOTAL(uenth, utemp), DENSITY(uLdens), SDENSITY(LV or GV, uLdens {, ASTD}), API, SPGR(WATER or AIR), TBP, TBPWT, TBP10, D86, D86C, D1160, D1078, D1580, D2887, TC(utemp), PC(upres), VC, ZC, TR, PR, VR, ACENTRIC, WATSONK, ZFACTOR, ZKVA, NMWS(WT), TOTS(WT), NMWH(WT, uenth), NBP(utemp, M or WT or LV), ABP(utemp, M or WT or LV), BPAT(upres), BTAP(utemp), DPAT(upres), DTAP(utemp), MW, CP(uCp, M or WT), CV(uCp, M or WT), CPRATIO, TCOND(ucond), VISCOSITY(uvisc), KVIS(utemp), SURFACE(usurf), 1 RVP(basis), TVP(upres), sproperty (qualifier), GHV(uenergy, uvapv), LHV(uenergy, uvapvol), C3PLUS, C2PLUS, PH, IONSTRENGTH}
1
All special refinery properties may be defined in the stream output format. See Table 9.5-3.
General Information The STREAM DATA section of input sets the stream identification, component flow rate, and thermal condition of each external stream that feeds into the flowsheet. Optionally, the user may supply initial estimates for recycle streams, assign a name to any stream in the flowsheet, and request additional reports of stream results.
Chapter 9
STREAM DATA 86
Stream Identification For identification purposes, each stream definition must include an identification label, or “sid”, containing up to 12 alphanumeric characters. The stream label must be unique. Assigning the same sid to two or more streams produces an input error. The user also may supply an optional name, containing up to 40 characters, for each stream in the flow sheet. The stream name is purely descriptive, not necessarily unique, and may include embedded blanks. Up to 40 characters are allowed for Stream names, if the user does not enter any comma delimiters in the name. Stream Component Flowrates There are several ways to define a stream composition and flow rate: (1) define the composition with defined components, (2) supply assay data, or (3) reference another stream. Subsequent sections of this manual describe each method in detail. See Section 9.1 for a description of defining composition streams, Section 9.2 for assay streams, and Section 9.3 for details about referencing one stream to another. Information about solids-forming components appears in Section 9.4. All of the methods for defining streams use a consistent set of input conventions. The remainder of this section describes conventions and features that are common to all these methods. Stream Thermal Conditions Table9-1 describes the available PROPERTY statement thermal condition specifications in terms of the required keyword entries. Table 9-1 Definition of Stream Thermal Data Required Entries Fixed Thermal States
TEMP
PRESSURE
PHASE
LFRAC
Pressure, Temperature Temperature, Bubble pt. Pressure, Bubble point Temperature, Dew point Pressure, Dew point Temperature, Liq. Fraction Pressure, Liq. fraction
R R C R C R E
R C R C R C R
M L L V V F F
C D D D D R R
C D E F
L M R V
- Calculated by PRO/I - Defined by PHASE entry - Optional estimate - Defined by LFRAC entry
Chapter 9
- ‘L’ entry required - Defaults to mixed phase - Required entries - ‘V’ entry required
STREAM DATA 87
Fluid Streams Once the composition is fixed, two degrees of freedom remain to completely define the thermodynamic state. These may be chosen from temperature, pressure, and phase/liquid fraction. Note that PRO/II software defaults column feed stream pressures to the feed tray pressure if the PRESSURE is not given on the PROPERTY statement. Also, streams referenced to other streams are initially defaulted to the reference stream pressure and temperature. Solid Streams Mixed solid/fluid streams are designated as PHASE=M on the PROPERTY statement, and have the same thermal condition requirements as pure fluid (V, L or M) streams. Liquid fractions are calculated on a solids-free basis. Pure solid streams must have PRESSURE and TEMP entries. Their compositions and flow rates must be defined using a SOLID statement (see Section 9.4, Streams with Solids). Alternate Stream Output Reports In addition to the standard stream report summary, special reports formatted to industry specific needs are available. Refer to Section 9.5 for information on how to select special GAS, REFINE, CHEM, PROPLIST, MATERIAL, SHORTPROP, STREAMSUMM, DRYSTREAMSUMM, COMPMOLAR, FREEWATERPROP, DRYREFINERY and/or COMPWEIGHT
reports.
Input Description Category Heading (required) STREAM DATA This statement must be the first statement in the STREAM DATA section of input. Only the keyword STREAM is required. There are no other entries. Remaining Stream Data Category Statements The remaining Stream Data Category statements are discussed in subsequent sections: Streams Defined With Pure Components (optional — Section 9.1) Streams With Assay Data (optional — Section 9.2) Streams That Reference Other Streams (optional — Section 9.3) Stream Solids (optional — Section 9.4) Naming Streams (optional — Section 9.5) Industry Specific/User-Defined Stream Printout (optional Section 9.5) User-Defined Output Formats (optional Section 9.5)
Chapter 9
STREAM DATA 88
9.1 – Streams With Defined Composition Keyword Summary Stream Definition (required) (For COLUMN feeds, PRESSURE defaults to feed tray pressure) PROPERTY STREAM=sid, {NAME=text, SET=setid}, (Temperature and pressure fixed) TEMP(utemp)=value and PRESSURE(upres)=value, {PHASE= M or V or L} or (Phase fixed) TEMP(utemp)= value or PRESSURE(upres)=value, PHASE=L or V or LFRAC(basis)= value, COMPOSITION(ubasis, urate)=i, value/..., NORMALIZE, {RATE(ubasis, urate) or RATE(LV or GV, urate, ASTD ) =value }
Solids Rate, Compositions, and Attributes (optional, Section 9.4) SOLID COMPOSITION(WT or M, urate)= i, value / ... {RATE(WT or M)= value, STREAM= sid, NORMALIZE} PSD
COMPONENT= i, j, DATA=value, value, ..., {STREAM=sid}
GENERAL COMPONENT= i, j, DATA= value, ..., {STREAM= sid}
Chapter 9.1
STREAMS WITH DEFINED COMPOSITION 89
Input Description This section describes the input statements available for initializing streams having defined components.
Stream Definition (required) PROPERTY STREAM=sid, {NAME=text, SET=setid}, (Temperature and pressure fixed) TEMP(utemp)=value and PRESSURE(upres)=value, PHASE= M or V or L, or (Phase fixed) TEMP(utemp)= value or PRESSURE(upres)=value, PHASE=L or V or LFRAC(basis)= value, COMPOSITION(ubasis, urate)=i, value/..., NORMALIZE {RATE(ubasis, urate) or RATE(LV or GV, urate, {ASTD} ) =value }
The PROPERTY statement is required to assign an identification label, define the initial thermal conditions, and specify the rate and initial composition of the overall fluid (vapor and liquid) phases of the stream. Solids data are not supplied on the PROPERTY statement. STREAM
“sid” supplies the identification label required by each stream in the problem. The label must be unique among all streams in the problem. “sid” may contain up to 12 alphanumeric characters, excluding embedded blanks and delimiters.
NAME
“text” is a descriptive name optionally assigned to the stream. It may contain up to 12 alphanumeric characters including embedded blanks, but excluding delimiters. It serves only as an aid to the user in identifying the stream in the results printout, and does not have to be unique. If this entry is used, a name should not be assigned to this stream on the NAME statement. See Table 9-1 for allowed combinations of stream thermal conditions.
SET
When more than one thermodynamic method set appears in the problem, use the setid entry on the SET keyword to choose the set applicable to this stream. Refer to Section 10.2 for information on defining and selecting sets for unit operations.
TEMP
Supplies stream temperature.
PRESSURE
Supply stream pressure. If the stream is a column feed, it defaults to the feed tray pressure.
{ } entries are optional values given are defaults Chapter 9.1
( ) keyword qualifiers underlined keywords are default. STREAMS WITH DEFINED COMPOSITION 90
PHASE
This declares the initial phase condition of the stream. Phase may be mixed (M), vapor only (V), or liquid only (L). When only one of TEMP or PRESSURE is given, PHASE=L sets the stream at its bubble point and PHASE=V sets the stream at its dew point. If TEMP and PRESSURE are both given, PRO/II software calculates the resulting phase and overrides the user provided PHASE.
LFRAC
This entry fixes the initial liquid fraction of the stream. Normally, it serves as an alternative for the PHASE entry. May be given on a mole (M - default), weight (WT), or liquid volume (LV) basis. The COMPOSITION and (optional) RATE entries define the composition and rate of the fluid phase components (vapor and liquid). Solids are not included. When the RATE entry is missing, the total fluid rate is calculated as the sum of the values supplied on the COMPOSITION entry.
COMPOSITION
The COMPOSITION entry is required if the stream contains a vapor or liquid phase. Components not identified here are not included in the stream fluid fraction. COMPOSITION may be given on a mole (M - default), weight (WT), liquid volume (LV), or gas volume (GV) basis and need not match the RATE basis. Omit the COMPOSITION entry if the stream contains only solids. The units may also be specifically provided. When RATE is given: The values entered here are compositions and must sum to 1.00 ± 0.01, 100 ± 1, or RATE ± 1%. Alternatively, the NORMALIZE keyword may be given. If one of these criteria is not satisfied, an error condition results. When RATE is not given: The values entered here are actual component flowing rates.
i
Component number. When omitted, “i” defaults to the next component number in sequence. If none of the components have “i” entries, the first value entry applies to component 1.
value
The rate or composition of component “i”.
RATE
Chapter 9.1
The RATE entry sets the initial overall rate of the stream fluid fraction. When the RATE entry is missing, values entered for the COMPOSITION entry represent actual component flow rates. RATE may be supplied on a mole (M - default), weight (WT), liquid volume (LV), or gas volume (GV) basis. If a dimensional unit keyword is given (for “urate”), the basis defaults to the implied basis; e.g., if KG/HR is supplied, then the basis defaults to WT.
STREAMS WITH DEFINED COMPOSITION 91
Volumetric basis qualifiers LV and GV specify the rate at standard liquid volume and standard vapor volume conditions, respectively. For compatibility with previous versions of PRO/II software, these are the default PRO/II software standard conditions when the ASTD qualifier is omitted. Refer to the ASTD qualifier, immediately below, to switch between PRO/II default standard conditions and useradjusted standard conditions. ASTD
When the rate basis is liquid volume (LV) or gas volume (GV), the ASTD key word may be used to compute the volume rate at the adjusted standard conditions specified by the user. RATE( LV or uLvrate, ASTD) or RATE( GV or uGvrate, ASTD ) Adjusted standard liquid volume rate: Specific volume or density is computed for each component at user-adjusted standard conditions. When a density correlation is supplied for a component, it is solved at the user-adjusted standard temperature and pressure to obtain the standard liquid volume. These then are summed to obtain the final specific liquid volume of the bulk liquid. Adjusted standard gas volume rate: An adjusted value for standard vapor molar volume is used to compute the adjusted bulk vapor volume rate. User-adjusted standard conditions: Users may adjust the standard temperature and/or pressure on the DIMENSION statement using the STDTEMP and STDPRES keywords. When either or both are supplied, an adjusted standard vapor volume is computed by solving the ideal gas law at user-specified standard conditions (temperature and pressure). Additionally, users may specify a value for standard vapor volume using the STDVAP keyword on the DIMENSION statement. Any value supplied by the STDVAP entry overrides the vapor volume value computed using the STDTEMP and STDPRES values. See Chapter 5, Dimensional Units.
NORMALIZE
Chapter 9.1
Instructs PRO/II software to normalize the component flow rate to the specified RATE. This option is ignored unless both the COMPOSITION and RATE entries appear on the PROPERTY statement. By default, NORMALIZE is inactive.
STREAMS WITH DEFINED COMPOSITION 92
Solids Rate, Compositions, and Attributes (optional — Section 9.4) SOLID COMPOSITION(WT or M, urate)= i, value / ... PSD
COMPONENT= i, j, DATA=value, value, ..., {STREAM=sid}
GENERAL COMPONENT= i, j, DATA= value, ..., {STREAM= sid}
Streams with defined components may contain solids. See Section 9.4, for details on stream definition with solid components.
Examples E9.1-1: Fluid Phase Stream Define stream HXFD with the following composition and thermal state. Component
Flow rate lb-mol/hr
1 2 3 4 5
70.0 200.0 50.0 7.0 0.2
Temperature, F 300.0 Pressure, psia 50.0 PROPERTY STREAM= HXFD, TEMP(F)= 300.0, PRESSURE(PSIA)= 50.0, & COMP= 70.0 / 200.0 / 50.0 / 7.0 / 0.2
Note: The COMP entry as shown demonstrates component number defaulting. It is equivalent to: COMP= 1, 70.0 / 2, 200.0 / 3, 50.0 / 4, 7.0 / 5, 0.2
E9.1-2: Dew Temperature Stream Define stream LIQ7 as a 50 : 50 mixture by weight of components 2 and 4 with a flow rate of 3000 pounds per hour. Calculate the initial dew point temperature at a pressure of 50 psia. PROP
STREAM= LIQ7, PHASE= V, PRESSURE(PSIA)= 50.0, & RATE(LB/HR)=3000.0, COMP(WT)= 2, 50.0/ 4, 50.0
Note: Using a weight rate unit qualifier (LB/HR in the example) implies WT basis.
Chapter 9.1
STREAMS WITH DEFINED COMPOSITION 93
E9.1-3: Normalized Flow rates Define stream R1 at a temperature of 50 C and 1.63 atm. R1 includes components 1, 2, and 3 in a mole ratio of 10 : 70 : 147. Normalize the composition to produce a flow rate of 1500 lb-mol/hr. PROP
STREAM=R1, TEMP(C)= 50, PRESSURE(ATM)=1.63, & NORMALIZE, RATE(LBM/HR)=1500.0, COMP= & 1, 10.0/2, 70.0/3, 147.0
E9.1-4: Adjusted Standard Volume Flow Rates This is exactly the same as the previous example, but illustrates using the ASTD qualifier of the RATE keyword. The presence of ASTD instructs PRO/II software to interpret the given rate of 1500 as the rate measured at the adjusted standard temperature and adjusted standard pressure. See Adjusted Standard Conditions and Properties (optional) in chapter 5, General Data, for instruction in adjusting the standard conditions. Also see Input Description in chapter 9.2 for information about the ASTD qualifier to the RATE entry on the PROPERTY statement. PROPERTY STREAM=R1, TEMP(C)= 50, PRESSURE(ATM)=1.63, & NORMALIZE, RATE(LBM/HR, ASTD)=1500.0, COMP= & 1, 10.0/2, 70.0/3, 147.0
Chapter 9.1
STREAMS WITH DEFINED COMPOSITION 94
9.2 – Streams With Assay Data Keyword Summary Stream Definition (required) (For COLUMN feeds, PRESSURE defaults to feed tray pressure) PROPERTY STREAM= sid, {NAME=text}, SET=setid, ASSAY= LV or WT, {BLEND=name or XBLEND=name}, {RATE(ubasis, urate) or RATE(LV or GV, urate, ASTD ) =value } (Temperature and pressure fixed) TEMP(utemp)=value and PRESSURE(upres)=value, PHASE= M or V or L or (Phase fixed) TEMP(utemp)= value or PRESSURE(upres)=value, PHASE=L or V or LFRAC(LV or WT)= value,
Distillation Data (required) D86 DATA= pct, value / pct, value / ..., {TEMP= K or C or R or F, STREAM=sid} {PRESSURE(MMHG)=760.0}, {CRACKING} or TBP or D1160
DATA= pct, value / pct, value/ ..., {TEMP= K or C or R or F, STREAM=sid}, {PRESSURE(MMHG)= 760.0},
D2887
DATA= pct, value / pct, value / ..., {TEMP= K or C or R or F, STREAM= sid}
or
Gravity Data (required) Standard liquid gravity measured at 60 F (15.5 C). API or AVERAGE= value, {STREAM= sid}, SPGR or {DATA= pct, value / pct, value / pct, value / ...} WATSONK
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 9.2
values given are defaults
STREAMS WITH ASSAY DATA 95
Molecular Weight (optional) MW
DATA= pct, value / pct, value / pct, value / ..., {AVERAGE= value, STREAM= sid}
Lightends Data (optional) LIGHTEND COMPOSITION(M or WT or LV or GV)= i, value / ..., {RATE(M or WT or LV or GV)= value or FRACTION(WT or LV)= value or PERCENT(WT or LV)= value or MATCH or NOMATCH}, {STREAM= sid, NORMALIZE}
Special Property Data (optional) property {STREAM=sid}, AVERAGE=value, and/or DATA(qualifier)=pct, value/... SPROP(i) {STREAM=sid}, AVERAGE=value, and/or DATA=pct, value/... KVIS {STREAM=sid}, {TEMP(utemp)=t1,t2}, AVERAGE(ukvis)=value t1, value t2, and/or DATA(utemp, ukvis)= t1, t2 / pct, valuet1, valuet2 / pct, value t1,value t2/...
The SPROP qualifier i is any integer from 1 to 9999. The total number of SPROP statements given for any one problem must be 60 or less.
Solids Rate, Compositions, and Attributes (optional — Section 9.4) SOLID COMPOSITION(WT or M, urate)= i, value / ..., {RATE(WT or M)= value, STREAM= sid, NORMALIZE} PSD COMPONENT= i, j, DATA=value, value, ..., {STREAM=sid} GENERAL
Chapter 9.2
COMPONENT= i, j, DATA= value, ..., {STREAM= sid}
STREAMS WITH ASSAY DATA 96
General Information A stream may be defined by supplying distillation data instead of component compositions. For the definition to be complete, a PROPERTY statement must appear first to assign a stream label, define the thermal conditions, and specify the rate of the fluid portion of the stream. One distillation statement (D86, TBP, D1160, or D2887) must immediately follow to supply the distillation data. A gravity statement (API, SPGR, or WATSONK) must provide gravity data. Optionally, molecular weight, light ends, special properties, and solids data also may appear. All of these statements may appear in any order following the PROPERTY statement, but must appear prior to the next PROPERTY statement. PRO/II software determines the composition of the fluid fraction of petroleum streams when assay data are furnished to represent the composition with pseudo components. Solid components are not included in the assay. If desired, the number of petroleum components and the cut widths may be defined by using the CUTPOINTS statement in the Component Data Category of input. Otherwise, the standard cuts shown in table below are used by default. These cuts are sufficiently small to provide reasonable accuracy for most refinery hydrocarbon simulations. Table9.2-1 Default Assay Cuts Temperature Range, F
Number Of Cuts
100 – 800 800 – 1200 1200 - 1600
28 8 4
PRO/II software blends all petroleum streams together prior to characterizing the petroleum components. Entering the XBLEND keyword on the PROPERTY statement excludes that stream from the blend. For example, assume a problem includes two crude oils, each having assay data provided by the user. In addition, three recycle streams have ASTM distillations and rate estimates provided. The user may blend the two crude oils, but not the three recycle streams, by entering XBLEND on the PROPERTY statement of each recycle stream. All stream properties include any light ends supplied on a LIGHTENDS statement. When supplying laboratory data on a light-ends-free basis, omit the LIGHTENDS statement. Instead, enter the light ends data as an additional input stream to be blended with the assay stream, to produce the total stream.
Chapter 9.2
STREAMS WITH ASSAY DATA 97
Input Description Stream Definition (required) (For COLUMN feeds, PRESSURE defaults to feed tray pressure) PROPERTY STREAM= sid, {NAME=text}, SET=setid, ASSAY= LV or WT, {BLEND=name or XBLEND=name}, {RATE(ubasis, urate) or RATE(LV or GV, urate, ASTD ) =value } (Temperature and pressure fixed) TEMP(utemp)=value and PRESSURE(upres)=value, PHASE= M or V or L or (Phase fixed) TEMP(utemp)= value or PRESSURE(upres)=value, PHASE=L or V or LFRAC(LV or WT)= value,
The PROPERTY statement must be the first statement in the definition of a stream with assay data. The PROPERTY statement assigns a stream identification label, defines the initial thermal conditions, specifies the rate, and selects the basis used for the assay data that describes the overall fluid (vapor and liquid phases) of the stream. Solids data are not supplied on the PROPERTY statement. STREAM
“sid” supplies the identification label required by each stream in the problem. The label must be unique among all streams in the problem. “sid” may contain up to 12 alphanumeric characters, excluding embedded blanks and delimiters.
NAME
“text” is a descriptive name optionally assigned to the stream. It may contain up to 12 alphanumeric characters including embedded blanks, but excluding delimiters. It serves only as an aid to the user in identifying the stream in the results printout, and does not have to be unique. If this entry is used, a name should not be assigned to this stream on the NAME statement.
SET
When more than one thermodynamic method set appears in the problem, the setid entry on the SET keyword can be used to choose the set applicable to this stream. Refer to Section 10.2 for information on defining and selecting thermodynamic sets for unit operations.
See Table 9-1 for allowable combinations of stream thermal conditions. TEMP
Stream temperature.
PRESSURE
Stream pressure. If the stream is a column feed, it defaults to the feed tray pressure.
Chapter 9.2
STREAMS WITH ASSAY DATA 98
LFRAC
This entry fixes the initial liquid fraction of the stream. Normally, it serves as an alternative for the PHASE entry. It may be given on a weight (WT) or liquid volume (LV) basis.
RATE
The RATE entry sets the initial overall rate of the stream. RATE may be supplied on a mole (M - default), weight (WT), liquid volume (LV), or gas volume (GV) basis. If a dimensional unit keyword is given (for “urate”), the basis defaults to the implied basis; e.g., if KG/HR is supplied, then the basis defaults to WT. Volumetric basis qualifiers LV and GV specify the rate at standard liquid volume and standard vapor volume conditions, respectively. For compatibility with previous versions of PRO/II software, these are the default PRO/II software standard conditions when the ASTD qualifier is omitted. Refer to the ASTD qualifier, immediately below, to switch between PRO/II software default standard conditions and user-adjusted standard conditions.
ASTD
When the rate basis is liquid volume (LV) or gas volume (GV), the ASTD key word may be used to compute the volume rate at the adjusted standard conditions specified by the user. RATE( LV or uLvrate, ASTD) or RATE( GV or uGvrate, ASTD ) Adjusted standard liquid volume rate: Specific volume or density is computed for each component at user-adjusted standard conditions. When a density correlation is supplied for a component, it is solved at the user-adjusted standard temperature and pressure to obtain the standard liquid volume. These then are summed to obtain the final specific liquid volume of the bulk liquid. Adjusted standard gas volume rate: An adjusted value for standard vapor molar volume is used to compute the adjusted bulk vapor volume rate. User-adjusted standard conditions: Users may adjust the standard temperature and/or pressure on the DIMENSION statement using the STDTEMP and STDPRES keywords. When either or both are supplied, an adjusted standard vapor volume is computed by solving the ideal gas law at user-specified standard conditions (temperature and pressure). Additionally, users may specify a value for standard vapor volume using the STDVAP keyword on the DIMENSION statement. Any value supplied by the STDVAP entry overrides the vapor volume value computed using the STDTEMP and STDPRES values. See Chapter 5, Dimensional Units.
ASSAY
Chapter 9.2
The ASSAY option declares the basis used by the supplied assay
STREAMS WITH ASSAY DATA 99
data. Either liquid volume (LV) or weight (WT) basis is allowed. LV is the default basis if the ASSAY option is omitted except if D2887 data are provided in which case WT is the default (and only) option. BLEND
This optional keyword can be used to create a blend of components from this assay stream. When the BLEND keyword is not given, the default blend as indicated on a CUTPOINTS statement is used. If there is no default cut points blend, a “noname” blend will be used. name The blend name. This has a maximum of 12 characters, with no embedded blanks
XBLEND
This optional keyword can be used to exclude the pseudocomponents that could have been created with this assay from the components created in blend “name”. The stream designated on this PROPERTY statement will be synthesized from pseudocomponents present in blend “name”. If there are no components created for blend “name”, an error message will be issued. When “name” is not given on the XBLEND keyword, the default blend as indicated on a CUTPOINTS statement will be used. If there is no default blend, the “noname” blend will be used. If there is no “noname” blend, an error message will be issued.
Example: Create blend A1 from stream 1 using cut points created on the CUTPOINTS statement. Create blend A2 from stream 2 using the default CUTPOINTS statement. A third “noname” blend of components is to be created from stream 3 using the default CUTPOINTS statement. ... COMPONENT DATA CUTPOINTS BLEND=A1, TBPCUTS=100, 400, 6/1200, 8 ... STREAM DATA PROP STREAM=1, BLEND=A1, RATE(LV)=1000 D86 DATA= ... PROP STREAM=2, BLEND=A2, RATE(LV)=1000 D86 DATA= ... PROP STREAM=3, D86 DATA= ...
Chapter 9.2
STREAMS WITH ASSAY DATA 100
Distillation Data (required) D86
DATA= pct, value / pct, value / ..., {TEMP= K or C or R or F, STREAM=sid}, {PRESSURE(MMHG)=760.0}, {CRACKING}
or TBP or DATA= pct, value / pct, value/ ..., D1160 {TEMP= K or C or R or F, STREAM=sid}, {PRESSURE(MMHG)= 760.0} or D2887 DATA= pct, value / pct, value / ..., {TEMP= K or C or R or F, STREAM= sid}
One of these statements must appear immediately after the corresponding PROPERTY statement and prior to the next PROPERTY statement or THERMO statement. It supplies the distillation data for the fluid portion of the stream. Solids are not considered in the distillation data. The DATA entry is required; all other entries are optional. The FIT option on the ASSAY statement in the Component Data Category determines the curve fitting procedure used to process the distillation data. The default cubic SPLINE method requires a minimum of 2 data points. When only two data points are present, PRO/II software uses a probability density function to fill in the remainder of the curve. All other fitting procedures require 3 data points for TBP curves, and 5 points for other distillation data. By default, PRO/II software assumes a pressure of 760 mmHg for the supplied data. For all distillation data options except D2887, the PRESSURE option allows changing the pressure at which the data were taken or to which the data were corrected. D86 or
This statement supplies ASTM D86 distillation data, normally taken at atmospheric pressure (760 mmHg). Use the PRESSURE entry to correct for data measured at another pressure. Use the CRACKING entry (below) to correct for thermal cracking.
TBP or
Supply true boiling point distillation data on this statement, using the PRESSURE entry to indicate the pressure at which the data were measured.
D1160 or
This statement supplies ASTM D1160 distillation data, normally measured in partial vacuum conditions. By default, data is corrected to 1 atmosphere (760 torr). Use the PRESSURE entry to correct data to another pressure.
Chapter 9.2
STREAMS WITH ASSAY DATA 101
D2887
This statement allows entry of data that describes a distillation curve simulated in accordance with the ASTM D2887 procedure. No pressure entry appears on this statement.
DATA
This entry is required to supply the actual distillation data points. Each data point consists of two pieces of information: (1) the cut point, expressed as a percentage of the cumulative distillates and (2) the temperature of the cut. Data must appear with the cut percentages in ascending order, consistent with the basis declared on the ASSAY entry of the PROPERTY statement. Any data supplied on the LIGHTENDS statement override the corresponding portion of the distillation data.
TEMP
This optional entry identifies the dimensional unit used to supply temperature data. If omitted, the temperature unit declared on the DIMENSION statement in the General Data Category serves as the default. Available arguments include C (Celsius), K (Kelvin), F (Fahrenheit), or R (Rankine) degrees.
PRESSURE
The PRESSURE entry allows specifying the pressure at which the distillation data were measured, or to which the data are corrected. The default pressure is 760 mmHg. The default dimensional unit is the problem pressure unit.
STREAM
This supplies a stream label. It is optional; but when used, it must agree with the stream label declared on the PROPERTY statement, or an input error occurs.
CRACKING
Presence of this keyword corrects D86 data for the effects of thermal cracking. It is available only on the D86 statement. This correlation was removed from the API Data Book in 1987. The cracking correction is not recommended for use with the API 87 or API 94 interconversion methods.
Chapter 9.2
STREAMS WITH ASSAY DATA 102
Gravity Data (required) Standard liquid gravity measured at 60 F (15.5 C). API or AVERAGE= value, {STREAM= sid}, SPGR or {DATA= pct, value / pct, value / pct, value / ...} WATSONK
One of these statements must follow the distillation data statement after the PROPERTY statement. These statements offer alternative forms for defining the liquid density of the assay at 60 F (15.5 C). The AVERAGE entry is required; all other entries are optional. When the DATA entry is not supplied, PRO/II software generates a gravity curve based on the distillation data and the average gravity value. API
API gravity.
SPGR
Specific gravity.
WATSONK
Watson (or UOP) characterization factor data.
AVERAGE
This entry defines the average value for the fluid portion of the stream, including any light ends. Solid components are not considered. This entry is required.
DATA
This option allows entry of user-supplied data points that replace the PRO/II software generated gravity curve. If used, at least 3 data points must be provided, consistent with the basis declared on the ASSAY entry of the PROPERTY statement. pct Mid-volume percent or mid-weight percent of the data point. value The gravity or Watson characterization value of the point associated with the “pct” argument.
STREAM
Stream label. It is optional, but when used, must agree with the stream label declared on the PROPERTY statement, or an input error occurs.
Chapter 9.2
STREAMS WITH ASSAY DATA 103
Molecular Weight (optional) MW
DATA= pct, value / pct, value / pct, value / ..., {AVERAGE= value, STREAM= sid}
This optional statement defines the molecular weight curve for the assay stream. If this statement is used, the DATA entry must appear, but the AVERAGE and STREAM entries always are optional. If the MW statement is not given, PRO/II software estimates the molecular weights for all assay cuts, using the method chosen by the MW entry on the ASSAY statement, in the Component Data category of input. DATA
The data entry must define at least 3 points that appear in the order of ascending weight percentages. An unlimited number of points may be supplied. pct
Mid-volume percent or mid-weight percent of the data point.
value
The molecular weight of the point associated with the “pct” argument.
AVERAGE
Optionally, this defines the average molecular weight of the fluid portion of the stream. Solid components are ignored. If AVERAGE is given, PRO/II software normalizes or extrapolates the molecular weight curve, as required to satisfy the average molecular weight of the stream. If omitted, PRO/II software uses quadratic extrapolation of the molecular weight curve, as needed, to compute an average molecular weight.
STREAM
Stream label. It is optional, but when used, must agree with the stream label declared on the PROPERTY statement, or an input error occurs.
Lightends Data (optional) LIGHTEND COMPOSITION(M or WT or LV or GV)= i, value / ..., {RATE(M or WT or LV or GV)= value or FRACTION(WT or LV)= value or PERCENT(WT or LV)= value or MATCH or NOMATCH}, {STREAM= sid, NORMALIZE}
The LIGHTEND statement defines the light hydrocarbon components in the assay analysis. All components appearing on this statement must be defined in the Component Data Category. The COMPOSITION entry is required, but all other entries are optional.
Chapter 9.2
STREAMS WITH ASSAY DATA 104
COMPOSITION
Required. This entry identifies the components that constitute the light ends of the stream. The flow of each component in the light ends may be supplied as an actual flow rate or as a fraction or percentage of the total stream fluid rate. Solids are not included. The basis may be mole (M), weight (WT), liquid volume (LV), or gas volume (GV) and may be different from the basis used on the RATE, FRACTION, or PERCENT entry. If “i” is omitted, it defaults to the next component number in sequence. If none of the “i” arguments are given, then the first “value” is associated with component 1. If RATE, PERCENT, or FRACTION is given: “value” is the composition for each component “i”. The sum of the values must equal 1.0 ± 0.01, 100 ± 1 or the desired rate æ 1%. Alternatively, the NORMALIZE keyword may be used to adjust the values to the desired rate. If MATCH is given: The values are adjusted by a constant factor so that the light ends flow rate matches the low-boiling portion of the TBP curve. If NOMATCH is given: The values are the actual flowing amounts.
RATE
or FRACTION or PERCENT
Optional. If used, this entry defines the total light ends rate on a mole (M), weight (WT), liquid volume (LV), or gas volume (GV) basis. The basis may be different from the COMPOSITION basis. Optional. This defines the total light ends rate as a fraction or percent of the total stream fluid rate. The basis may be either weight (WT) or liquid volume (LV). The basis may be different from the COMPOSITION basis. The default basis is set by the ASSAY entry on the PROPERTY statement.
In Figure 9.2-1, point “a” is the midpoint volume percent of the highest boiling pure component. This cumulative percentage point is adjusted to intercept the TBP curve. Point “b” is the volume percent of the total light ends. STREAM
Chapter 9.2
Stream label. It is optional, but when used, it must agree with the stream label declared on the PROPERTY statement, or an input error occurs.
STREAMS WITH ASSAY DATA 105
Figure 9.2-1: Lightends Matching NORMALIZE
Optional. When RATE, FRACTION, or PERCENT is present, the NORMALIZE option normalizes the total rate of the light ends to obtain the required rate, regardless of the sum of the values supplied for the COMPOSITION entry. Examples: Composition and rate given: LIGHTEND STREAM=1, COMP=1./ 2./ 3./ 4.0, & RATE=10.0
Chapter 9.2
STREAMS WITH ASSAY DATA 106
Composition given and rate defined as a fraction or percent of the RATE entry given on the PROPERTY statement: LIGHT STREAM=1, COMP(WT)=0.1/0.2/0.3/0.4, & FRAC(V) = 0.02 LIGHT STREAM=1, COMP=10./ 20./ 30./ 40., & PERCENT = 2.0
Match light end flow rate to intercept the TBP curve: LIGHTEND STREAM=1, COMP=1.0/ 2.0/ 3.0/ 4.0, & MATCH
COMP entries as actual flowing values: LIGHTEND STREAM=1, COMP(V) =1.0/ 2.0/ 3.0/ 4.0
Special Property Data (optional) property {STREAM=sid}, AVERAGE=value, and/or DATA(qualifier)=pct, value/... SPROP(i) {STREAM=sid}, AVERAGE=value, and/or DATA=pct, value/... KVIS
{STREAM=sid}, {TEMP(utemp)=t1,t2}, AVERAGE(ukvis)=valuet1, valuet2, and/or DATA(utemp, ukvis)=t1, t2 / pct, valuet1, valuet2 / pct, value t1,value t2/...
The SPROP qualifier i is any integer from 1 to 9999. The total number of SPROP statements given for any one problem must be 60 or less. The special property statements define the assay stream special property curve. If any special property statement is given, the DATA entry and/or the AVERAGE entry is required, but all other entries are optional. Special properties available are outlined in Table 9.2-2. These properties are not used unless the property calculation method is specified on the METHOD statement in the Thermodynamic Data Category of input. The keywords available for these special property statements are described below: STREAM
Chapter 9.2
This is the stream label. It is optional. If it is used, it must agree with the stream label declared on the PROPERTY statement. When this keyword is not given, it defaults to the stream id on the corresponding
STREAMS WITH ASSAY DATA 107
PROPERTY statement (and associated D86 or TBP or D2887 statement). TEMP
This entry is applicable only for KVIS. When the AVERAGE value is given but there is no DATA entry, the temperatures at which these values are measured can be entered through this keyword. If the DATA is also given, then the temperatures entered there will be taken for the average values also.
AVERAGE
This entry defines the average special property value for the assay stream.
DATA
This entry defines the data curve for the assay stream special properties. The use of this entry replaces the PRO/II software generated curve. If used, at least 3 data points must be provided, consistent with the basis declared on the ASSAY entry of the PROPERTY statement. For assay data given over a partial range, a quadratic extrapolation is used to extend data over the entire range. When end-point data is missing PRO/II software performs a linear extrapolation from the last given data point using the slope of a quadratic generated from the last 3 given points. This may result in an artificial inflection point not intended by user. For this reason, users should make every attempt to supply their own end-point data. pct value
Mid-point percent of the data point. The special property value of the point associated with the “pct” value. For KVIS: The “utemp” qualifier available arguments include C, K, F, or R degrees.
The same number of KVIS sets must be given for each stream, and all corresponding KVIS data sets must be at the same temperatures. For each KVIS statement, at least 3 component entries must be given. The refinery property of each assay narrow cut is determined from the input property curve by setting the property value equal to the value on the curve at the cumulative mid-point percent volume value. For blended streams, the blended value is calculated from the individual cut property values using the same mixing methods supplied on the METHOD statement in the Thermodynamic Data Category of input. Missing data are filled in using the fill options specified on the NCBLEND keyword on the METHOD statement. See the topic “Transport and Special Properties” in the Thermodynamic Data Keyword Manual for additional information on these fill options for assay blends.
Chapter 9.2
STREAMS WITH ASSAY DATA 108
Table 9.2-2: Keywords for Special Stream Refinery Properties Keyword
1
Properties Predicted
Qualifier
ANEU
Neutralize number
-
ANIL
Aniline point
temp
AROM
Aromatics content
pct
ASH
Ash content
pct
ASPH
Asphaltene content
ppm, C5 or C7
ASUL
Aliphatic sulfur content
pct
BROM
Bromine number
-
CABP
Cubic average boiling point
temp
CARB
Carbon content
pct
CCR
Conradson carbon residue
-
CETA
Cetane index
-
CETN
Cetane number
-
CFPP
Cold filter plug point
temp
CHRA
Carbon-hydrogen ratio
-
CLOU
Cloud point temperature
temp
FLPO(CC or OC, utemp)
Flash point temperature (formerly FLPT) OC selects open cup, CC is closed cup)
temp
FRZP
Freeze point temperature
temp
H2
Hydrogen content
pct
IRON
Iron content
ppm
KVIS
Kinematic Viscosity
LUMI
Luminometer number
-
MEAB
Mean average boiling point
temp
MERC
Mercaptan content
ppm
MOAB
Molal average boiling point
temp
MON
Motor octane number
C or L
NAPH
Naphthene content
pct
Chapter 9.2
STREAMS WITH ASSAY DATA 109
Table 9.2-2: Keywords for Special Stream Refinery Properties Keyword
1
Properties Predicted
Qualifier
NHV
Net heating value
uenth
NICK
Nickel content
ppm
NITR
Nitrogen content
pct
NOAC
Noack volatility
-
NPHL
Naphthalene content
pct
OLEF
Olefin content
pct
OXYG
OXYGEN CONTENT
PPM
PARA
Paraffin content
pct
PENET
Penetration index
-
1
For those properties with qualifiers “frac,” “ppm,” or “pct,” any one of these three qualifiers may be specified. The qualifier “frac” or “ppm” or “pct” indicated is the default for that property.
PHEN
Phenol content
ppm
POUR
Pour point temperature
temperature
REFR
Refractive index
C20 or C70
RON
Research octane number
C or L
SMOK
Smoke point
-
SOFT
Softening point
-
SULF
Sulfur content
-
VABP
Volume average boiling point temperature
temperature
VANA
Vanadium content
ppm
WABP
Weight average boiling point temperature
temperature
WAX
Wax content
pct
WTAR
Weight aromatic content
pct
WTNA
Weight naphthenic content
pct
WTPA
Weight paraffinic content
pct
SPROP
User-defined special property
-
1 For those properties with qualifiers “frac,” “ppm,” or “pct,” any one of these three qualifiers may be specified. The qualifier “frac” or “ppm” or “pct” indicated is the default for that property.
Chapter 9.2
STREAMS WITH ASSAY DATA 110
Solids Rate, Compositions, and Attributes (optional, section 9.4) SOLID
COMPOSITION(WT or M)= i, value / ...
PSD COMPONENT= i, j, DATA= value, value, ..., {STREAM= sid} GENERAL
COMPONENT= i, j, DATA= value, ..., {STREAM= sid}
Streams with assay data may contain solids. See Section 9.4 for details on stream definition with solid components. Solids data may not be interleaved with assay data. Following the PROPERTY statement, either all of the assay data or all of the solids data for that stream may appear next.
Examples E9.2-1: Streams With Assay Data Set up STREAM DATA input for the following 3 streams: Stream Label
Assay basis Distillation type IBP 10% 30% 50% 70% 90% EP Gravity type Stream average Mid % 25 37 52
1
2
V6
LV ASTM D86
LV ASTM D1160
WT TBP
100 210 240 260 275 290 310
310 360 385 410 560 -
201 370 390 450 -
API
Watson K
SpGr
60 -
12.5 -
0.76 0.31 0.42 0.65
50 moles
-
2 10 28 7
-
11% by weight 8 12 31 42
Lightends Total flow Comp. no. 1 2 3 4
Chapter 9.2
STREAMS WITH ASSAY DATA 111
Stream Label 5 Special Properties Stream average Mid 25% 35% 50%
1
2
V6
3
-
7
SULFUR
FLPOINT
15%
SPROP(1) 0.55
-5 38 95
Thermal conditions Temperature Pressure Phase Total rate, basis
150 50 Liquid
100 50 Liquid
200 75 Mixed
1200, LV
1500, LV
2700, WT
PROPERTY STREAM= 1, TEMP= 150.0, PRESSURE= 50.0, & RATE(LV)= 1200.0, PHASE= L, ASSAY= LV D86 STREAM= 1, DATA= 0.0, 100./ 10., 210./ & 30., 240./ 50., 260./ 70., 275./ 90., 290./ 100., 310. API AVERAGE= 60.0, STREAM= 1 LIGHTENDS STREAM= 1, RATE= 50.0, & COMPOSITION= 1, 2./ 2, 10./ 3, 28./ 4, 7./ 5, 3.0 SULFUR STREAM=1, AVERAGE=15 PROPERTY STREAM= 2, TEMP= 100.0, PRESSURE= 50.0, & RATE(V)= 1500.0, PHASE= L, ASSAY= LV D1160 STREAM= 2, DATA= 0.00, 310./ 10., 360./ 30., 385./ & 50.0, 410.0 / 70.0, 560.0 WATSONK AVERAGE= 12.5, STREAM= 2 FLPOINT STREAM=2, DATA=25, -5/35, 38/50, 95 PROPERTY STREAM= V6, TEMP= 200.0, PRESSURE= 75.0, & RATE(W)= 2700.0, PHASE= M, ASSAY= WT TBP STREAM= V6, DATA= 0.0, 201./ 30.0, 370.0/ & 50.0, 390.0 / 90.0, 450.0 SPGR STREAM= V6, AVERAGE= 0.76, & DATA= 25.0, 0.31 / 37.0, 0.42 / 52.0, 0.65 LIGHTEND STREAM= V6, PERCENT(WT)= 11.0, & COMP(WT)= 1, 8.1 / 2, 12.0 / 3, 31.0 / 4, 42.0 / 5, 7.0 SPROP(1) STREAM=V6, AVERAGE=0.55
E9.2-2: Multiple Assay Blends
Chapter 9.2
STREAMS WITH ASSAY DATA 112
In the example below, three streams are flashed at 50 psia and 50% vaporization. Blend A1 is created from stream 1 using the cut points created with the first cut points statement. This blend is declared as the default blend by the DEFAULT keyword on the CUTPOINTS statement. Blend A2 is created from stream 2 using the range defined on the second CUTPOINTS statement. Since there is no blend name explicitly specified on the PROPERTY statement for stream 3, this stream is blended into blend A1, since that is the default blend. TITLE DIMEN LIQV=BBL COMPONENT DATA CUTPOINTS BLEND=A1, TBPCUTS=100, 400, 6/1200, 8, DEFAULT CUTPOINTS TBPCUTS=100, 1500, 40 THERMODYNAMIC DATA METHOD SYSTEM=GS STREAM DATA PROP STREAM=1, BLEND=A1, RATE(LV)=9800, TEMP=100, & PRESSURE=14.696 TBP STREAM=1, DATA=10, 126/30, 137/50, 151/ & 70, 169/90, 191/100, 213 API STREAM=1, AVG=79.5 PROP STREAM=2, BLEND=A2, RATE(LV)=9800, TEMP=100, & PRESSURE=14.696 TBP STREAM=2, DATA=10, 130/30, 145/50, 160/ & 70, 175/90, 210/100, 250 API STREAM=2, AVG=80.2 PROP STREAM=3, RATE(LV)=9800, TEMP=100, PRESSURE=14.696 TBP STREAM=3, DATA=10, 120/30, 135/ & 50, 150/70, 168/90, 196/100, 230 API STREAM=3, AVG=75.3 UNIT OPERATION FLASH UID=FL1 FEED 1 PROD V=2A, L=3A TPSPEC PRESSURE=50 SPEC STREAM=2A, RATE, RATIO, STREAM=1, VALUE=0.5 FLASH UID=FL2 FEED 2 PROD V=2B, L=3B TPSPEC PRESSURE=50 SPEC STREAM=2B, RATE, RATIO, STREAM=2, VALUE=0.5 FLASH UID=FL3 FEED 3 PROD V=2C, L=3C TPSPEC PRESSURE=50 SPEC STREAM=2C, RATE, RATIO, STREAM=3, VALUE=0.5 .
Chapter 9.2
STREAMS WITH ASSAY DATA 113
9.3 – Reference Streams Keyword Summary Overall Stream State (optional) PROPERTY STREAM= sid, REFSTREAM= sid, {NAME= text}, {SET=setid} {TEMP(utemp)= value, PRESSURE(upres)= value}, {RATE(ubasis, urate)= value} or RATE(LV or GV, urate, ASTD ) =value }
General Information The reference stream feature allows the user to associate two or more streams in a dependent manner: (1) A source (or referenced) stream and (2) a target (or referencing) stream. The source stream supplies any missing data necessary to the target stream, while the target stream depends upon the source stream to acquire its missing data. This type of referencing may be very useful in heat exchanger network calculations and often enhances recycle convergence or may entirely eliminate recycle calculations. The user declares a target stream by including the REFSTREAM entry on the PROPERTY statement to identify a source stream. The STREAM entry must supply a label for the target stream, but the COMPOSITION entry must be omitted. All other entries are optional. Supplementary assay or solids data statements are not permitted. All composition data, including assay cuts and solids, always are obtained from the source stream. Other data, including rate, temperature, and pressure, are obtained from the source stream only if they are missing from the PROPERTY statement. Whenever the source stream changes, new values immediately propagate to the target stream. The target stream is re-flashed to establish the new enthalpy and phase. A source stream must be fully defined in the STREAM DATA section of input, or else it must be a product of a unit operation. The source stream cannot refer to another stream.
Input Description Overall Stream State (optional) PROPERTY STREAM= sid, REFSTREAM= sid, {NAME= text}, {SET=setid} {TEMP(utemp)= value, PRESSURE(upres)= value}, {RATE(ubasis, urate)= value} or RATE(LV or GV, urate, ASTD ) =value }
Chapter 9.3
REFERENCE STREAMS 115
The PROPERTY statement must be the first statement in the definition of a stream that references another stream. The PROPERTY statement must assign a stream identification label and optionally may define the initial thermal conditions and specify the rate of the fluid (vapor and liquid) portion of the stream. The COMPOSITION, PHASE and LFRACTION keywords may not be given when defining target streams.
STREAM
‘sid’ supplies the identification label required by each stream in the problem. The label must be unique among all streams in the problem. ‘sid’ may contain up to 4 alphanumeric characters, excluding embedded blanks and delimiters.
REFSTREAM
The REFSTREAM entry identifies the source stream that supplies any missing data to the current stream. This entry is required.
NAME
‘text’ is a descriptive name optionally assigned to the target stream. It may contain up to 12 alphanumeric characters including embedded blanks, but excluding delimiters. It serves only as an aid to the user in identifying the stream in the results printout, and does not have to be unique. If this entry is used, a name should not be assigned to this stream on the NAME statement.
SET
When more than one thermodynamic method set appears in the problem, the setid entry on the SET keyword may be used to specify the set applicable to this stream. Refer to Section 10.2 for information on defining and selecting thermodynamic sets for unit operations.
TEMP
Stream temperature. If not supplied, the source stream temperature applies and will be updated automatically whenever the source stream is altered.
PRESSURE
Stream pressure. If the stream is a column feed, defaults to the feed tray pressure. Otherwise, if pressure is not supplied, the source stream pressure applies and will be updated automatically whenever the source stream is altered.
RATE
ubasis
The RATE entry specifies the initial overall rate of the fluid fraction of the stream. If missing, the rate of the source stream applies and will be updated automatically whenever the source stream is altered. If RATE is given, the new source stream component flow rate is automatically normalized into the target stream.
M
This option specifies the initial overall rate of the fluid fraction of the stream on a mole basis.
WT
This option specifies the initial overall rate of the fluid fraction of the stream on a weight basis.
LV
This option specifies the initial overall rate of the fluid fraction of the stream on a liquid volume basis. Liquid volume always is specified on a STANDARD volume basis; that is, at standard temperature and pressure.
Chapter 9.3
REFERENCE STREAMS 116
Library components have a standard liquid volume stored in the component data library, corresponding to the default standard conditions in PRO/II software. Those values are used to compute the standard liquid volume of the stream. This may result in inconsistencies when user-adjusted standard conditions are in effect. See the ASTD qualifier below. For the standard liquid volume or weight rate basis, the rate is calculated from a Kay’s rule summation of the standard liquid volume or molecular weight and mole or weight fraction of each component in the (source) stream. Because each component has its own individual standard liquid volume or molecular weight, a calculated liquid volume or weight rate is a function of composition. GV
This option specifies the initial overall rate of the fluid fraction of the stream on a STANDARD gas (or vapor) volume basis, i.e., at the PRO/II default standard temperature and pressure. Standard vapor volume is a constant volume / mole, regardless of component species. Therefore, standard vapor volume effectively is a mole rate multiplied by a constant. The standard temperature, standard pressure, and standard vapor volume are printed at the bottom of each page of the stream summary in PRO/II output reports. Refer to the ASTD qualifier described below for information about computing volume rate at user-adjusted standard conditions. For each referencing stream having RATE specified on a weight, liquid volume, or gas volume basis, the rate is computed only the first time the referencing logic is invoked, converted to a mole rate, and stored as a mole rate. Thereafter, the mole rate remains constant REGARDLESS of any changes to the rate or composition of the source stream (note: the “source” stream is the stream that supplies the data to the “referencing” stream).
ASTD
When the rate basis is liquid volume (LV) or gas volume (GV), the ASTD key word may be used to compute the volume rate at the adjusted standard conditions specified by the user. RATE( LV or uLvrate, ASTD) or RATE( GV or uGvrate, ASTD ) Adjusted standard liquid volume rate: Specific volume or density is computed for each component at user-adjusted standard conditions. When a density correlation is supplied for a component, it is solved at the user-adjusted standard temperature and pressure to obtain the standard liquid volume. These then are summed to obtain the final specific liquid volume of the bulk liquid. Adjusted standard gas volume rate: An adjusted value for standard vapor molar volume is used to compute the adjusted bulk vapor volume rate. User-adjusted standard conditions: Users may adjust the standard temperature and/or pressure on the DIMENSION statement using
Chapter 9.3
REFERENCE STREAMS 117
the STDTEMP and STDPRES keywords. When either or both are supplied, an adjusted standard vapor volume is computed by solving the ideal gas law at user-specified standard conditions (temperature and pressure). Additionally, users may specify a value for standard vapor volume using the STDVAP keyword on the DIMENSION statement. Any value supplied by the STDVAP entry overrides the vapor volume value computed using the STDTEMP and STDPRES values. See Chapter 5, Dimensional Units. Example: PROPERTY
STREAM= FD1, REFSTREAM= ST1, RATE(WT, KG/S)= 500
Assume RATE (of the referencing stream ST1) is specified as 500 kg (weight basis) per second. Assume that, initially, the source stream, FD1, has a composition such that the average molecular weight is 25. On the first invocation of REFSTREAM logic for this stream, the rate of the referencing stream will be set at 500 kg/s calculated using a MW of 25, so the calculated MOLE rate is 20 kgmoles/s. The 20 kg-mol/s rate is stored for the referencing stream and never again is changed by the REFSTREAM logic. Now further assume that, later, the source stream is recalculated such that its composition generates an average molecular weight of 50. When REFSTREAM logic again is invoked to send the change in the source stream to the referencing stream, the rate of the referencing stream will remain at 20 kg-moles/s. However, the weight rate of this stream would be 20 kg-mol/s * 50 kg/kg-mol = 1000 kg/s. Note that, while the mole rate remains constant, the consequential weight rate has doubled. In all the calculations described above, no consideration is given to the actual phase of the stream. Calculations are based on component mole fraction in the total stream, regardless of the actual phase state.
Examples E9.3-1: Referencing Streams Defined In STREAM DATA Input Define stream T11 as a duplicate of stream S1. Define stream T12 with an initial temperature of 150 and a rate of 82 moles. Use stream referencing to use the pressure and composition of stream S1. Create stream T13 as a duplicate of stream S1, but set the pressure at 30. Create stream T21 at a temperature of 900, a pressure of 30, and a rate of 200 moles per time unit. Obtain the composition from assay stream S2. STREAM DATA PROP STREAM=S1, TEMP=200.0, PRESSURE=35.0, RATE=820.0, & COMP=6,160.0/7,170.0/8,180.0/9,190.0/50.0/ 40.0 / 30.0 PROP STREAM= T11,REFS=S1 PROP STREAM= T12,REFS=S1, TEMP=150.0, RATE=82.0 PROP STREAM= T13,REFS=S1, PRESSURE=30.0
Chapter 9.3
REFERENCE STREAMS 118
$ PROP STREAM=S2,TEMP=980.0,PRESSURE=35.0,PHASE=V, & RATE(GV)= 258.13, ASSAY= LV API STREAM= S2, AVG= 47.0 D86 STREAM= S2, DATA=0,175.0/5,177.0/10,179.0/& 30,215.0/50,266.0/70,322.0/90,441.0/& 95,492.0/100,537.0 PROP STREAM= T21,REFS=S2,TEMP=900.0,PRESSURE=30.0, & RATE= 200.0
E9.3-2: Referencing A Unit Operation Product Stream Consider the flowsheet in Figure 9.3-1. Feed streams 1 and 2 are fully defined in the Stream Data Category of input. Stream 5 has a temperature of 220 F, a pressure of 30 psia, and a fixed rate of 250 lb-moles per hour. Although the composition of stream 5 is the same as stream 4, the composition is unknown. Use stream referencing to obtain the composition from stream 4 after unit 1 has solved. Assume the default input units are weight in pounds and time in hours.
Figure 9.3-1: Reference Streams
STREAM DATA PROP STREAM=1,TEMP=100.0,PRESSURE=30.0, COMP=1000.0 PROP STREAM= 2,TEMP=300.0,PRESSURE=35.0,RATE=500.0,& COMP=30.0/40.0/30.0 PROP STREAM=5,REFS=4,TEMP(F)=220.0, & PRESSURE(PSIA)=30.0,RATE=250.0
Chapter 9.3
REFERENCE STREAMS 119
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Chapter 9.3
REFERENCE STREAMS 120
9.4 – Streams With Solids Keyword Summary Defining Streams With Solids PROPERTY ...(See Section 9.1 for streams with defined components. See Section 9.2 for streams with petroleum assay definition.)
Solids Rate and Composition SOLID COMPOSITION(M or WT, urate)= i, value / ... RATE(M or WT)= value, {STREAM= sid}, {NORMALIZE}
Solids Particle Size Distribution PSD COMPONENT= i1, {j2}, DATA= value, value, ..., {STREAM= sid}
Solids GENERAL Attributes GENERAL COMPONENT= i1, {j2}, DATA= value, ..., {STREAM= sid}
General Information All streams except reference streams may contain solids if solid components have been defined in the COMPONENT DATA category. This section describes how solids are assigned to streams defined on PROPERTY statements. Solid flows are defined in terms of their composition, flow rates, and attributes. PRO/II supports two types of solid attributes: particle size distribution (PSD) and GENERAL user defined attributes. Both of these attributes are defined for the simulation in the COMPONENT DATA category. The entries supplied here permit the user to distribute each solid component in the stream into particle size intervals and assign a GENERAL attribute value for each solid component.
Input Description Solids Rate and Composition SOLID
COMPOSITION(M or WT, urate)= cno, value / ... RATE(M or WT)= value, {STREAM= sid}, {NORMALIZE}
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 9.4
values given are defaults
STREAMS WITH SOLIDS 121
The solids statement defines the rate and composition of solids in a stream. It is always the first statement in any group of solids data statements. If used, the SOLIDS statement must appear immediately after the PROPERTY statement of the stream to which it applies, or after all assay data statements that follow the PROPERTY statement. Solids and assay statement groups may not be interleaved. Additional statements containing solids data follow immediately after the SOLIDS statement. The rate and composition of solids are entered on the SOLIDS statement without considering the presence of fluid phases. Solids of unknown molecular weight (nonmolecular solids) must be entered on a weight basis. Solids having a known molecular weight may be entered on either a mole or a weight basis. Because composition may be entered on either a mole or weight basis, each stream definition allows up to two SOLIDS statements - one using a mole basis (the default), the other specifying a weight basis. COMPOSITION
This entry is always required to define the amount of solids initially present. Values may be entered on a mole basis (M default) or on a weight basis (WT). The units may also be provided.
When the RATE entry is missing, the total rate of all fluid phases in the stream is the sum of the values supplied on the COMPOSITION entry. When both RATE and COMPOSITION appear, one of the following conditions must be met to avoid an error condition: The supplied composition values sum to 1.00 ± 0.01. The supplied composition values sum to 100.0 ± 1. The composition values sum to the actual flow rates ± 1%. The NORMALIZE option is used. RATE
This defines the total flow rate used for the solids entered on the COMPOSITION entry. The basis may be mole (M is default) or weight (WT). Rates of solid streams cannot be specified on a volume rate basis. If the RATE entry is missing, values entered for the COMPOSITION entry are actual flow rates. Refer to the COMPOSITION entry (above) for further discussion of the interaction between these two entries.
STREAM
This entry is optional. It serves only as an aid in associating the SOLIDS statement with the appropriate PROPERTY statement. If given, ‘sid’ must match the ‘sid’ on the PROPERTY statement, or an error condition results.
NORMALIZE
Chapter 9.4
When NORMALIZE is used, the compositions are normalized as required to agree with the specified rate.
STREAMS WITH SOLIDS 122
Solids Particle Size Distribution PSD COMPONENT= i1, {j2}, DATA= value, value, ..., {STREAM= sid} This optional statement supplies data representing the particle size distribution of solids. The distribution intervals must first be defined on an ATTRIBUTE PSD statement in the COMPONENT DATA Category of input. Data entered here specify the fraction of each component distributed to each interval. A separate PSD statement is allowed for each component having a phase of LS, VLS, or S declared in COMPONENT DATA. COMPONENT
DATA STREAM
The PSD data affect all components in sequence from component number cno1 through cno2. If cno2 is not given, only cno1 is affected. Supplied values represent the fraction of each component solids distributed to each particle size interval. This entry is optional. If given, the ‘sid’ must match the ‘sid’ given on the PROPERTY statement.
Solids GENERAL Attributes GENERAL
COMPONENT= cno1, {cno2}, DATA= value, ..., {STREAM= sid}
This statement allows definition of a vector of user-defined solid component attributes. Each stream allows a separate GENERAL attribute statement for each component having a phase of LS, VLS, or S declared in the COMPONENT DATA section of input. While not utilized directly by PRO/II, the data is available to User-added Subroutines or user-defined In-line Procedures. COMPONENT
DATA
STREAM
The PSD data affect all components in sequence from component number cno1 through cno2. If cno2 is not given, only cno1 is affected. Supplied values represent the value of each GENERAL attribute in sequence. The existing PRO/II unit operations do not use these values; however, they may be accessed in a User-added Subroutine or In-line Procedure provided by the user. A minimum of one data value is required. This entry is optional. If given, the ‘sid’ must match the ‘sid’ given on the PROPERTY statement.
Examples E9.4-1: Stream Containing Fluid and Solid Phases Set up the STREAM DATA input for the following stream:
Chapter 9.4
STREAMS WITH SOLIDS 123
Definition Of Stream FD-1 Temperature, F Pressure, psia Rate, lb/hr
40.0 2000.0 16000.0 wt. fraction 0.25 0.50 0.25
Liquid Composition Component 1 2 3 Solid Rate Component 4 5 6
PROP
10.0 250.0 20.0
lb-mole/hr lb/hr lb-mole/hr
Interval
1 ____
2 ____
3 ____
4 ____
PSD (fraction)
0.01
0.70
0.2
0.09
GENERAL attributes components 5, 6
1.1
2.2
3.3
STREAM= FD-1, TEMP(F)= 40.0, PRESSURE(PSIA)= 2000, & RATE(WT, LB/HR)= 16000.0, & COMP(WT)= 1, 0.25 / 2, 0.50 / 0.25 SOLID STREAM=FD-1, COMP(M)= 4, 10.0 / 6, 20.0 SOLID STREAM=FD-1, COMP(WT)= 5, 250.0 PSD STREAM= FD-1, COMP=4, 6, & DATA= 0.01, 0.7, 0.2, 0.09 GENERAL STREAM=FD-1, COMP= 5, 6, & DATA=1.1, 2.2, 3.3
E9.4-2: Stream Containing Only Solids Define stream FD-2 to model only the solids from stream FD-1 of the previous example. Apply the particle size distribution only to components 4 and 6 (skipping component 5). PROP
Chapter 9.4
STREAM=FD-2, TEMP(F)=40.0, PRESSURE(PSIA)=2000, SOLID STREAM=FD-2, COMP(M)= 4, 10.0/ 6, 20.0 SOLID STREAM=FD-2, COMP(WT)=5, 250.0 PSD STREAM=FD-2, COMP=4, DATA= 0.01, 0.7, 0.2, 0.09 PSD STREAM=FD-2, COMP=6, DATA= 0.01, 0.7, 0.2, 0.09
STREAMS WITH SOLIDS 124
9.5 – Stream Documentation Keyword Summary Naming Streams (optional) NAME
sid, name1, {name2, name3} / ...
Industry Specific Stream Printout Requests (optional) OUTPUT FORMAT= GAS, CHEMICAL, REFINE, PROPLIST, MATERIAL, SHORTPROP, STREAMSUMM, DRYSTREAMSUMM, COMPMOLAR, FREEWATERPROP, DRYREFINERY, COMPWEIGHT, format-id, {NSTREAM= no, DESCRIPTION= text}, STREAM=ALL or STREAM= sid, SPTP=ON/OFF...}
User-Defined Output Formats (conditional) FORMAT ID=format-id, {TITLE=text, SID, NAME, NUMBERING=SEQUENCE or COMP or NONE, PAGE, LINE, PHASE, LINK, DOUBLINE, THERMO, TEXT, WET or DRY, STD, NML, XSI, TOTAL or LIQUID or VAPOR or SOLID or AQUEOUS, TEMPERATURE(utemp), PRESSURESURE(upres), RATE(urate {, ASTD}), ARATE(LV or GV or M or WT), SRATE (urate, MMG), CRATE(urate, i, j), SCRATE( ulvrate or ugvrate, I, j) CPCT(upct, M or WT or LV or GV, i, j), CFRAC(ufrac, M or WT or LV or GV, i, j), FWPCT(upct, M or WT or LV), FWFRAC(ufrac, M or WT or LV), TWPCT(upct, M or WT or LV), TWFRAC(ufrac, M or WT or LV), HCWFRAC(M or WT or LV), HCWPCT(M or WT or LV), FWTH(uduty), FWENTHALPY(M or WT, uenth), FWET(M or WT, uentro), LRATE(urate, i, j)=name, LPCT(upct, M or WT or LV), LFRAC(ufrac, M or WT or LV), VFRACTION(ufrac, M or W ), SFRACTION(ufrac, M), ENTHALPY(M or WT, uenth), HTOTAL (uduty), ENTROPY(M or WT, uentro), STOTAL(uenth, utemp), DENSITY(uLdens), SDENSITY(LV or GV, uLdens {, ASTD}), API, SPGR(WATER or AIR), TBP, TBPWT, TBP10, D86, D86C, D1160, D1078, D1580, D2887, TC(utemp), PC(upres), VC, ZC, TR, PR, VR, ACENTRIC, WATSONK, ZFACTOR, ZKVA, NMWS(WT), TOTS(WT),
Chapter 9.5
STREAM DOCUMENTATION 125
NMWH(WT, uenth), NBP(utemp, M or WT or LV), ABP(utemp, M or WT or LV), BPAT(upres), BTAP(utemp), DPAT(upres), DTAP(utemp), MW, CP(uCp, M or WT), CV(uCp, M or WT), CPRATIO, TCOND(ucond), VISCOSITY(uvisc), KVIS(utemp), SURFACE(usurf), 1 RVP(basis), TVP(upres), sproperty (qualifier), GHV(uenergy, uvvol), LHV(uenergy, uvapvol), C3PLUS, C2PLUS, PH, IONSTRENGTH} 1 All special refinery properties may be defined in the stream output format. See Table 9.5-3.
Stream Comments (optional) NOTES
STREAM=sid, TEXT= descriptive text
General Information Three documentation related features of PRO/II are described in this section. The first allows the user to identify streams with a 12-character NAME. This description is used for output documentation only and does not impact the simulation calculations in any way. The second allows the user to select alternate stream output formats. SimSci has grouped stream properties together to target the specific needs of the gas processing, refining, and chemicals industry through separate reports. The user may select none, any, or all of the stream reports. Streams may be grouped together in separate reports and identified with a description field. The third feature allows users to define their own stream output formats. This definition is input by means of the FORMAT statement.
Naming Streams (optional) NAME
sid, name / ...
The NAME statement supplies optional descriptive names for any streams in the flow sheet. This description is used for output documentation only and does not impact the simulation calculations in any way. An error condition results if NAME is supplied on the PROPERTY statement, as well as the NAME statement. Sid
Stream identifier as supplied on the PROPERTY statement or as a product from any PRO/II unit operation.
Name
Stream names (or stream descriptions) each may contain up to 40 alphanumeric characters. However, most fields used to display a stream name are only 12 characters wide. If the stream name exceeds 12 characters, it will be printed on multiple lines. For this reason, the user may embed commas in the name to control printing on multiple lines. Each comma is interpreted as a line throw.
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 9.5
values given are defaults
STREAM DOCUMENTATION 126
Industry Specific / User-Defined Stream Printout Requests (optional) OUTPUT FORMAT= GAS, CHEMICAL, REFINE, PROPLIST, MATERIAL, SHORTPROP, STREAMSUMM, DRYSTREAMSUMM, COMPMOLAR, FREEWATERPROP, DRYREFINERY, COMPWEIGHT, format-id, {NSTREAM= no, DESCRIPTION= text}, STREAM=ALL or STREAM= sid, SPTP=ON/OFF...} This statement allows the user to request additional reports of selected stream data. A maximum of 20 OUTPUT reports may be requested. Each OUTPUT statement requests a single report. Predefined reports are available for the natural gas, oil refining, and chemicals industries. Alternatively, a format ID (format-id) may be specified to reference a format identified by the given format-id in the FORMAT statement. This statement also allows streams to be grouped together and identified with a description field for special reports. Each report includes all streams in the problem, unless the user selects individual streams. In the latter case, streams appear in the report in the order of appearance on the STREAMS entry. A stream may appear any number of times in a single report, and may appear in any number of reports. For mixed-phase streams, rates and properties are printed for both the liquid and vapor phases. Note that the standard stream summary may be suppressed by selecting the PRINT STREAM=PART option in the General Data Category (Section 5).
FORMAT
Chapter 9.5
This entry selects the type of report desired. It is a required entry. Examples of each output report format are given on the following pages. Options include: GAS
Selects the Gas Processing report
CHEMICAL
Selects the Chemicals report
REFINE
Selects the Refining report.
PROPLIST
Selects the Property Label report
MATERIAL
Selects the Material Balance report
SHORTPROP
Selects the Short Property report
STREAMSUMM
Selects the Stream Summary report
DRYSTREAMSUMM
Selects the Dry Stream report
COMPMOLAR
Selects the Component Molar report
FREEWATERPROP
Selects the Free water report
DRYREFINERY
Selects the Dry Refinery report
COMPWEIGHT
Selects the Component Weight report
STREAM DOCUMENTATION 127
format-id
An alphanumeric string of up to 80 characters. Each format-id uniquely identifies one format and may not be reused to identify a different format.
(GAS, CHEM, REFI, PROPLIST, MATERIAL, SHORTPROP, STREAMSUMM, DRYSTREAMSUMM, COMPMOLAR, FREEWATERPROP, DRYREFINERY and COMPWEIGHT are reserved entries and may not be used to identify a user-defined format.) NSTREAM
This option specifies the number of streams printed across the page. Table 9.5-1 shows valid NSTREAM values. The maximum (default) number of streams is set by the WIDTH option on the PRINT statement of GENERAL DATA (see Section 5).
Table 9.5-1 Maximum Number of Streams Across a Page GENERAL DATA PRINT Statement
Maximum Streams per Page
WIDTH= 80 (default)
4
WIDTH= 120
7
WIDTH= 132
8
DESCRIPTION
This option supplies text that replaces the default heading normally printed in the page header of each report. The text may contain up to 40 alphanumeric characters, including embedded blanks. Delimiter characters are not allowed within the text, and a comma terminates text entry.
STREAMS
This option allows the user to limit the report to show only specific streams. Streams appear in the report in the order they appear on this entry. If the STREAM entry is omitted, or if the STREAMS=ALL option appears, the report includes all streams in the problem. Alternatively, a list of valid stream id's may be supplied which will result in only those streams reported in this report. Streams with zero flow are always ignored. An error condition may result if a stream id corresponds to one of the valid keywords on the OUTPUT statement. These should be avoided.
SPTPRINT
Chapter 9.5
This option is ON, by default. Selecting the OFF option will stop printing the corresponding data in OUTPUT.
STREAM DOCUMENTATION 128
Sample Gas Report SIMULATION SCIENCES INC. R PAGE P-16 PROJECT APPBRIEF PRO/II VERSION 9.0 ELEC V7.0 PROBLEM G7 OUTPUT SIMSCI GAS PROCESSOR PROPERTIES SET MAR-2010 ========================================================================= STREAM ID NAME PHASE THERMO ID -----
TOTAL STREAM
1 WET GAS VAPOR SET01
VAPOR PHASE
2 DRY GAS VAPOR SET01
4 RICH TEG LIQUID SET01
130.00 720.000 40.6669 5614.8188 0.5970 106.3171 0.0116 0.0107 5.3114E-03
83.72 720.000 4279.2766 78929.9801 7.8410 99.3407 1082.3728 977.8134 1356.3454
80.71 720.000 45.4634 5745.5891 0.4720 82.1490 72.9921 66.8454 34.9437
N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A
4279.2766 78929.9801 509.1524 1623.9146 2.8737 0.7037 7.8410 99.3407 0.5921 0.3979 1.4879 2.4293 1082.3728 977.8134 1356.3454 18.4447 0.3454 0.8994 0.0111 0.0187 -86.5021 669.1244
N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A
-----
TEMPERATURE, F 80.00 PRESSURE, PSIG 720.000 RATE, LB-MOL/HR 4284.0730 RATE, LB/HR 79060.7503 ENTHALPY, MM BTU/HR 7.7163 ENTHALPY, BTU/LB 97.5992 TOTAL GHV, BTU/STD FT3 1081.9354 TOTAL LHV, BTU/STD FT3 977.4279 WOBBE INDEX,BTU/STD FT3 1355.4346 -----
3 LEAN TEG LIQUID SET01
------
RATE, LB-MOL/HR 4284.0730 RATE, LB/HR 79060.7503 ACT RATE, FT3/MIN 504.4484 STD VAP RATE(1),M FT3/H 1625.7348 RATE C2+, GAL/M STD FT3 2.8796 RATE C3+, GAL/M STD FT3 0.7055 ENTHALPY, MM BTU/HR 7.7163 ENTHALPY, BTU/LB 97.5992 CP, BTU/LB-F 0.5929 CV, BTU/LB-F 0.3966 CP/CV RATIO 1.4952 ENTROPY, BTU/LB-F 2.4247 IDEAL GHV, BTU/STD FT3 1081.9354 IDEAL LHV, BTU/STD FT3 977.4279 WOBBE INDEX,BTU/STD FT3 1355.4346 MOLECULAR WEIGHT 18.4546 ACT DENSITY, LB/GAL 0.3492 COMPRESSIBILITY (Z) 0.8962 VISCOSITY, CP 0.0111 COND, BTU/HR-FT-F 0.0186 PSEUDO CRIT. TEMP, F -86.0423 PSEUDO CRIT. PRES, PSIG 670.3450
(1) STANDARD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)
Chapter 9.5
STREAM DOCUMENTATION 129
SIMULATION SCIENCES INC. PROJECT APPBRIEF PROBLEM G7
PAGE P-17 VERSION 9.0 ELEC V7.0 OUTPUT SIMSCI GAS PROCESSOR PROPERTIES SET MAR-2010 ======================================================================== STREAM ID NAME PHASE THERMO ID -----
LIQUID PHASE
RATE, LB-MOL/HR RATE, LB/HR ACT RATE, GAL/MIN STD LV RATE, GAL/MIN ENTHALPY, MM BTU/HR ENTHALPY, BTU/LB CP, BTU/LB-F MOLECULAR WEIGHT ACT DENSITY, LB/GAL STD SP.GR. VISCOSITY, CP COND, BTU/HR-FT-F
Chapter 9.5
R PRO/II
1 WET GAS VAPOR SET01
3 LEAN TEG LIQUID SET01
2 DRY GAS VAPOR SET01
4 RICH TEG LIQUID SET01
40.6669 5614.8188 10.2225 9.9767 0.5970 106.3171 0.4646 138.0686 9.1544 1.1251 10.1949 0.1134
N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A
45.4634 5745.5891 10.5350 10.3804 0.4720 82.1490 0.4686 126.3785 9.0897 1.1065 22.0826 0.1109
----N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A
STREAM DOCUMENTATION 130
Sample Chemical Report SIMULATION SCIENCES INC. R PAGE P-13 PROJECT R3R PRO/II VERSION 9.0 ELEC V7.0 PROBLEM STD OUTPUT SIMSCI CHEMICALS PROCESSOR PROPERTIES SET MAR 2010 ======================================================================== STREAM ID NAME PHASE THERMO ID
9 NAPHTHA WET LIQUID GS01
10 KEROSENE WET LIQUID GS01
11 DIESEL WET LIQUID GS01
12 GAS OIL WET LIQUID GS01
----- TOTAL STREAM ----TEMPERATURE, F 110.00 PRESSURE, PSIG 5.300 RATE, LB-MOL/HR 2989.7541 RATE, LB/HR 296641.2258 ENTHALPY, MM BTU/HR 11.4283 ENTHALPY, M BTU/LB-MOL 3.8225 ENTHALPY, BTU/LB 38.5255 MOLECULAR WEIGHT 99.2193 MOLE FRACTION LIQUID 1.0000 WEIGHT FRACTION LIQUID 1.0000 PSEUDO CRIT. TEMP, F 527.6247 PSEUDO CRIT. PRES, PSIG 443.6770
392.08 11.800 966.0499 173644.5440 31.7974 32.9148 183.1176 179.7470 1.0000 1.0000 785.6365 319.3160
523.05 12.500 677.5698 172674.2557 44.4862 65.6556 257.6311 254.8435 1.0000 1.0000 933.3261 260.7756
648.94 13.300 629.0741 208233.9456 70.1023 111.4373 336.6518 331.0165 1.0000 1.0000 1051.9221 217.3842
N/A N/A N/A N/A N/A N/A N/A N/A
N/A N/A N/A N/A N/A N/A N/A N/A
N/A N/A N/A N/A N/A N/A N/A N/A
N/A N/A N/A N/A N/A N/A N/A N/A
----296641.2258 1186.9248 830.8448 1149.8124 0.4884 99.2193 249.9245 0.3645 0.0704
173644.5440 714.3386 500.0355 600.4130 0.6026 179.7470 243.0846 0.2732 0.0493
172674.2557 703.7724 492.6392 566.6341 0.6553 254.8435 245.3555 0.2693 0.0426
208233.9456 851.8797 596.3139 657.0876 0.7000 331.0165 244.4408 0.2686 0.0377
----- VAPOR PHASE -----RATE, LB/HR ACT RATE, FT3/MIN STD VAP RATE(1), M FT3/HR CP, BTU/LB-F CV, BTU/LB-F MOLECULAR WEIGHT ACT DENSITY, LB/FT3 COMPRESSIBILITY (Z) ----- LIQUID PHASE RATE, LB/HR ACT RATE, BBL/HR ACT RATE, GAL/MIN STD LV RATE, BBL/HR CP, BTU/LB-F MOLECULAR WEIGHT ACT DENSITY, LB/BBL VISCOSITY, CP COND, BTU/HR-FT-F
(1) STANDARD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)
Chapter 9.5
STREAM DOCUMENTATION 131
Sample Refinery Report SIMULATION SCIENCES INC. PROJECT R3R PROBLEM APPBRIEFS
PAGE P-3
R PRO/II VERSION 9.0 ELEC V7.0 OUTPUT REFINERY PROCESSOR PROPERTIES SET
SIMSCI MAR-2010
============================================================================== STREAM ID 9 10 11 12 NAME NAPHTHA KEROSENE DIESEL GAS OIL PHASE WET LIQUID DRY LIQUID DRY LIQUID DRY LIQUID ----- TOTAL STREAM - WET BASIS (INCLUDES ANY FREE AND DISSOLVED WATER) ----TEMPERATURE, F 110.00 464.75 628.52 757.01 PRESSURE, PSIG 5.300 11.800 12.500 13.300 RATE, LB-MOL/HR 2878.6843 1047.0974 574.7708 715.2158 RATE, LB/HR 279901.5000 184786.0313 144889.3594 236614.6250 ENTHALPY, MM BTU/HR 3.4379 38.2675 45.9035 95.7849 ENTHALPY, BTU/LB 12.2827 207.0908 316.8175 404.8142 MOLECULAR WEIGHT 97.2324 176.4745 252.0820 330.8297 ----- VAPOR PHASE - WET BASIS (INCLUDES WATER VAPOR) ----N/A N/A N/A N/A RATE, LB/HR ACT RATE, FT3/MIN N/A N/A N/A N/A STD VAP RATE(1), M FT3/HR N/A N/A N/A N/A CP, BTU/LB-F N/A N/A N/A N/A CV, BTU/LB-F N/A N/A N/A N/A MOLECULAR WEIGHT N/A N/A N/A N/A ACT DENS, LB/FT3 N/A N/A N/A N/A COMPRESSIBILITY (Z) N/A N/A N/A N/A STD SP.GR. (AIR, 60F) N/A N/A N/A N/A ----- LIQUID PHASE - WET BASIS (INCLUDES ANY FREE AND DISSOLVED WATER) ----279901.5000 184786.0313 144889.3594 236614.6250 RATE, LB/HR ACT RATE, GAL/MIN 788.5455 568.9902 451.8407 740.1091 STD LV RATE, BBL/HR 1090.2252 641.7003 477.0454 747.7712 STD LV RATE, BBL/DAY 26165.3594 15400.7793 11449.0703 17946.4785 CP, BTU/LB-F 0.5059 0.7139 0.7474 0.7706 MOLECULAR WEIGHT 97.2324 176.4745 252.0820 330.8297 ACT DENSITY, LB/BBL 248.4709 227.3325 224.4648 223.7912 STD API GRAVITY 61.4902 40.5629 31.6351 25.0855 VISCOSITY, CP 0.3645 0.2732 0.2693 0.2686 (1) STANDARD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)
Chapter 9.5
STREAM DOCUMENTATION 132
Sample Refinery Report (continued) SIMULATION SCIENCES INC.
PAGE P-4
R
PROJECT R3R PROBLEM APPBRIEFS
PRO/II VERSION 9.0 ELEC V7.0 OUTPUT SIMSCI REFINERY PROCESSOR PROPERTIES SET MAR-2010 =========================================================================== STREAM ID 9 10 11 12 NAME NAPHTHA KEROSENE DIESEL GAS OIL PHASE WET LIQUID WET LIQUID WET LIQUID WET LIQUID THERMO ID GS01 GS01 GS01 GS01 --- TOTAL STREAM - WET BASIS (INCLUDES ANY FREE AND DISSOLVED WATER) --TEMPERATURE, F 110.00 392.08 523.05 648.94 PRESSURE, PSIG 5.300 11.800 12.500 13.300 RATE, LB-MOL/HR 2989.7541 966.0499 677.5698 629.0741 RATE, LB/HR 296641.2258 173644.5440 172674.2557 208233.9456 ENTHALPY, MM BTU/HR 11.4283 31.7974 44.4862 70.1023 ENTHALPY, BTU/LB 38.5255 183.1176 257.6311 336.6518 MOLECULAR WEIGHT 99.2193 179.7470 254.8435 331.0165 RVP, PSI 14.1905 0.9401 0.8846 0.8851 TVP, PSIG 0.3877 -13.7038 -13.7483 -13.7478 --- VAPOR PHASE - WET BASIS (INCLUDES WATER VAPOR) --RATE, LB/HR N/A N/A ACT RATE, FT3/MIN N/A N/A STD VAP RATE(1), M FT3/HR N/A N/A CP, BTU/LB-F N/A N/A CV, BTU/LB-F N/A N/A MOLECULAR WEIGHT N/A N/A ACT DENS, LB/FT3 N/A N/A COMPRESSIBILITY (Z) N/A N/A STD SP.GR. (AIR, 60F) N/A N/A
N/A N/A N/A N/A N/A N/A N/A N/A N/A
N/A N/A N/A N/A N/A N/A N/A N/A N/A
--- LIQUID PHASE - WET BASIS (INCLUDES ANY FREE AND DISSOLVED WATER) --RATE, LB/HR 296641.2258 173644.5440 172674.2557 208233.9456 ACT RATE, GAL/MIN 830.8448 500.0355 492.6392 596.3139 STD LV RATE, BBL/HR 1149.8124 600.4130 566.6341 657.0876 STD LV RATE, BBL/DAY 27595.4495 14409.8855 13599.1942 15770.0750 CP, BTU/LB-F 0.4884 0.6026 0.6553 0.7000 MOLECULAR WEIGHT 99.2193 179.7470 254.8435 331.0165 ACT DENSITY, LB/BBL 249.9245 243.0846 245.3555 244.4408 STD API GRAVITY 60.5524 39.8220 31.0921 24.8493 VISCOSITY, CP 0.3645 0.2732 0.2693 0.2686 (1) STD VAPOR VOLUME is 379.49 FT3/LB-MOLE (60 F and 14.696 PSIA)
Chapter 9.5
STREAM DOCUMENTATION 133
Sample Property Label List
Sample Short Property Label List
Sample Free Water Properties List
Chapter 9.5
STREAM DOCUMENTATION 134
Sample Material Balance List
Chapter 9.5
STREAM DOCUMENTATION 135
Sample Stream Summary Report
Chapter 9.5
STREAM DOCUMENTATION 136
Sample Dry Stream Summary Report
Chapter 9.5
STREAM DOCUMENTATION 137
Sample Component Molar Rates Report
Chapter 9.5
STREAM DOCUMENTATION 138
Sample Dry Refinery Report
Chapter 9.5
STREAM DOCUMENTATION 139
Sample Component Weight Rates Report
Chapter 9.5
STREAM DOCUMENTATION 140
User-Defined Output Formats (conditional) FORMAT
1
ID=format-id, {TITLE=text, SID, NAME, NUMBERING=SEQUENCE or COMP or NONE, PAGE, LINE, PHASE, LINK, DOUBLINE, THERMO, TEXT, WET or DRY, STD, NML, XSI, TOTAL or LIQUID or VAPOR, or SOLID or AQUEOUS, TEMPERATURE(utemp), PRESSURESURE(upres), RATE(basis, urate {, ASTD}), ARATE(LV or GV or M or WT), SRATE (urate, MMGV), CRATE(urate, i, j), SCRATE( ulvrate or ugvrate, I, j) CPCT(upct, M or WT or LV or GV, i, j), CFRAC(ufrac, M or WT or LV or GV, i, j), FWPCT(upct, M or WT or LV), FWFRAC(ufrac, M or WT or LV), TWPCT(upct, M or WT or LV), TWFRAC(ufrac, M or WT or LV), HCWFRAC(M or WT or LV), HCWPCT(M or WT or LV), FWTH(uduty), FWENTHALPY(M or WT, uenth), FWET(M or WT, uentro), LRATE(urate, i, j)=name, LPCT(upct, M or WT or LV), LFRAC(ufrac, M or WT or LV), VFRACTION(ufrac, M or W ), SFRACTION(ufrac, M), ENTHALPY(M or WT, uenth), HTOTAL (uduty), ENTROPY(M or WT, uentro), STOTAL(uenth, utemp), DENSITY(uLdens), SDENSITY(LV or GV, uLdens {, ASTD}), API, SPGR(WATER or AIR), TBP, TBPWT, TBP10, D86, D86C, D1160, D1078, D1580, D2887, TC(utemp), PC(upres), VC, ZC, TR, PR, VR, ACENTRIC, WATSONK, ZFACTOR, ZKVA, NMWS(WT), TOTS(WT), NMWH(WT, uenth), NBP(utemp, M or WT or LV), ABP(utemp, M or WT or LV), BPAT(upres), BTAP(utemp), DPAT(upres), DTAP(utemp), MW, CP(uCp, M or WT), CV(uCp, M or WT), CPRATIO, TCOND(ucond), VISCOSITY(uvisc), KVIS(utemp), SURFACE(usurf), 1 RVP(basis), TVP(upres), sproperty (qualifier), GHV(uenergy, uvvol), LHV(uenergy, uvapvol), C3PLUS, C2PLUS, PH, IONSTRENGTH}
All special refinery properties may be defined in the stream output format. See Table 9.5-3.
FORMAT statements may be used to create special stream component and/or property reports. Up to 10 user defined FORMAT statements are allowed per problem. These must be placed in the Stream Data Category. The OUTPUT statement (as described earlier) is used to select the groups of streams to be printed with each user defined FORMAT. Each FORMAT definition may be used for multiple OUTPUT reports as desired. Note that the FORMAT statement does not generate output reports except when used in conjunction with the OUTPUT statement.
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 9.5
values given are defaults
STREAM DOCUMENTATION 141
The user has complete control of paging, heading and line spacing when using the FORMAT option. Property calculations may be performed on total, liquid or vapor bases and on wet or dry bases. When both liquid and vapor properties are requested, the liquid and vapor portions for mixed phase streams are reported separately. A large selection of printout keywords are available, with up to 250 entries allowed on a single FORMAT statement. Note that a single FORMAT definition may be used to describe several pages of printout for each group of streams requested via an OUTPUT statement. The order of appearance of keywords determines the order and basis on which properties are generated and printed. For example, FORMAT
ID=FMT1, ...., DRY, VAPOR, MW, RATE(WT), TC, WET, MW, RATE(WT)
generates dry vapor molecular weight, weight flow, and mole average critical temperature followed by vapor wet mole weight and weight flow. Calculation and printout basis keywords (WET or DRY, TOTAL or LIQUID or VAPOR or SOLID or AQUEOUS) remain in effect until they are reset by appearance of another keyword within their grouping. All properties selected after this keyword is used are calculated on that basis. Default bases are WET and TOTAL. Some properties apply only to certain phases and may not be appropriate for a given phase. For example, liquid volume percents are inappropriate for “VAPOR” properties. Similarly, vapor phase properties cannot be reported for an all liquid stream. For these cases, the requested properties are reported as zeros. Note that no warning messages are given. Note also that some properties are not available for mixed phase streams on a total stream basis. For example, actual flow rate on a volume basis is not available for mixed phase streams. In the following descriptions, the qualifiers WT, LV and GV which define the basis to be weight, liquid volume and gas volume have aliases of W, V and G, respectively.
ID
Format identifier, an alphanumeric string of one to 80 characters. Each format-id uniquely identifies one format and may not be reused to identify a different format. GAS, CHEM, REFI, PROPLIST, MATERIAL, SHORTPROP, STREAMSUMM, DRYSTREAMSUMM, COMPMOLAR, FREEWATERPROP, DRYREFINERY and COMPWEIGHT are reserved entries and may not be used to identify a user-defined format.
Chapter 9.5
STREAM DOCUMENTATION 142
TITLE
Centered text to be printed within the user-defined stream summary report. This text may be up to 60 characters long ending with a comma. Blanks are allowed but delimiters are not. Any number of 10 TITLE keywords may be used in any FORMAT statement. However, PRO/II allows only as many as will fit on one line of text. If several consecutive TITLE keywords are used as the first printout options on the FORMAT statement, it will result in a ‘title block’ to be printed beginning on the first line after the standard page header.
NAME
Print stream names, as assigned in the Stream Data Category.
NUMBERING
When reporting component flow rates by ranges using LRATE and CRATE, or CPCT or CFRAC, components may be renumbered, or reported using the flowsheet component numbers. The choices are:
SEQUENCE
This is the default. The components are numbered in the order reported. Lumped components (using the LRATE keyword) are reported as a single component number. Numbers continue to increase in sequence until a keyword other than LRATE or CRATE or CPCT or FRACT is given.
COMPONENT
Components are reported using the flowsheet component numbers.
NONE
Components are unnumbered.
The following example illustrates how the NUMBERING keyword works: FORMAT ID=1, NUMBERING=SEQUENCE, CRATE(1,3), & LRATE(4,6)=XYZ, CRATE(7,8), NUMBERING=COMPONENT, & CRATE(1,3), LRATE(4,6)=XYZ, CRATE(7,8), NUMBERING=NONE, & CRATE(1,3), LRATE(4,6)=XYZ, CRATE(7,8) This produces a report in the following sequence: Number 1 2 3 4 5 6 1 2
Chapter 9.5
ID cno1 cno2 cno3 XYZ cno7 cno8 cno1 cno2
Rate(moles/hr) rate of component 1 rate of component 2 rate of component 3 rate of components 4,5,6 rate of component 7 rate of component 8 rate rate
STREAM DOCUMENTATION 143
3 LUMPED 7 8
cno3 XYZ cno7 cno8 cno1 cno2 cno3 XYZ cno7 cno8
rate rate rate rate rate rate rate rate rate rate
SID
Print stream ID
PAGE
Begin a new page and print a page header. The description and stream id’s are also written. The first page throw (form feed) at the beginning of the report is automatic. It is thus unnecessary to start the FORMAT with a PAGE keyword.
LINE
Generates one blank line in the report.
PHASE
Print stream phases, “MIXED”, “LIQUID”, “VAPOR” or “SOLID”.
LINK
Print the unit id and column tray for which the stream is a feed or product. For streams fed to more than one unit, only the first unit id will be printed.
DOUBLINE
Generates two blank lines in the report.
THERMO
Print the thermo set ID.
TEXT
Added for SPT compatibility.
WET or DRY
Computes properties including or excluding water, respectively. A descriptive line is also written. Default is WET.
XSI
Forces report in SI UOM’s from point where XSI appears.
STD or NML
Controls label text for standard condition values (“Standard” or “Normal”)
TOTAL or LIQUID or VAPOR or SOLID or AQUEOUS
Compute properties on a total stream basis (TOTAL – default), or only liquid phase properties (LIQUID) or only vapor phase properties (VAPOR) or only solid phase properties (SOLID) or only aqueous phase properties(AQUEOUS). A descriptive label is also written.
TEMPERATURE
Stream temperature.
PRESSURE
Stream pressure.
RATE(basis, urate)
Stream rate at standard conditions using a specific unit of measure. When the basis (mole, weight, liquid volume, or gas volume) is not entered explicitly, it is derived from the urate
Chapter 9.5
STREAM DOCUMENTATION 144
qualifier. For example, if KG/HR is supplied, then the basis defaults to WT. Note that on a total stream basis, mixed phase streams and vapor streams are printed in liquid volume units when RATE(LV) is selected. Similarly, on a total stream basis, mixed phase streams and liquid streams are printed in vapor volume units when RATE(GV) is selected. RATE( LV or GV, ASTD, urate) When the basis is LV or GV, adding ASTD reports rates at adjusted standard conditions instead of at PRO/II default standard conditions. ARATE(basis)
The actual flowing rate at operating temperature and pressure. Basis may be LV (liquid volume - default), GV (gas volume), M (mole), or WT (weight). Does not support a rate UOM.
SRATE(MMGV)
Same as RATE (stream rate at standard conditions) but can accept millions of gas volume (MMGV) qualifier as a basis. (This option does not accept the ASTD qualifier).
CRATE(urate, i,j)
Stream component flow rates at standard conditions for components “i” through “j”. CRATE accepts a specific rate UOM, while SCRATE accepts basis qualifiers M (mole - default), WT SCRATE( ulvrate or (weight), LV (liquid volume) or GV (gas volume. If no component ugvrate, I, j) range is given, then all component flow rates are tabulated individually. There are some special rules concerning the numbering of lumped components and identifying the printout with a “COMPONENT RATE” header. The first time a LRATE or CRATE appears, the “COMPONENT MOLE/VOLUME/WEIGHT RATE” header is printed out. The first component is then component one. Subsequent components, whether lumped or normal, are numbered sequentially as they are printed. This is true for all LRATE or CRATE entries that immediately follow, provided the basis (M, WT, LV or GV) remains the same. If the basis is changed or another keyword is intervening, then “COMPONENT RATE” appears again and the component numbering starts over. CPCT(upct, ubasis, I, j)
Stream component percents or fractions for components “i” through “j” at standard conditions on mole (M - default), CFRAC(ufrac, ubasis, I, j) weight (WT), liquid volume (LV) or gas volume (GV) basis. If no component range is given, then all component percents or fractions are tabulated. FWPCT(upct, ubasis) FWFRAC(upct, ubasis)
Free water percent or fraction on mole (M -default), weight (WT) or liquid volume (LV) basis.
TWPCT(upct, ubasis) TWFRAC(upct, ubasis)
Total water percent or fraction on mole (M -default) or weight (WT) or liquid volume (LV) basis.
HCWPCT(basis), HCWFRAC(basis), FWTH(uduty)
Chapter 9.5
Percent or fraction water in the hydrocarbon liquid phase on mole (M - default), weight (WT) or liquid volume (LV) basis. Free water total enthalpy on mole basis
STREAM DOCUMENTATION 145
FWENTHALPY(M or WT, uenth),
Free water specific enthalpy on mole(M-default) or weight (WT).
FWET(M or WT, uentro),
Free water specific entropy on mole(M-default) or weight (WT).
LRATE(urate, i, j)= name Lumped flow rate for components “i” through “j” using a specific rate UOM. The name given as data to the LRATE keyword is used to label the value. If no name is supplied, the label will appear as “COMPS i-j”. LPCT(upct, basis), LFRAC(ufrac, basis)
Stream liquid percent or fraction on a mole (M - default), weight (WT) or liquid volume (LV) basis.
VFRAC(ufrac,basis)
Stream vapor fraction on a mole (M - default) or weight (WT) basis.
SFRAC(ufrac,basis)
Stream solid fraction on a mole (M - default) basis.
ENTHALPY (uenth, M or WT)
Stream enthalpy in default output units. ENTHALPY may be requested on a mole (M - default) or on weight (WT) basis.
HTOTAL(uduty)
Total stream flow enthalpy. Accepts a duty UOM qualifier.
ENTROPY (uentro, M or WT)
Stream entropy on a mole (M - default) or weight (WT) basis suing a specific entropy UOM.
STOTAL(uenth, utemp)
Total stream flow entropy. Accepts an enthalpy UOM and a temperature UOM to derive the entropy UOM.
DENSITY(uLiqdens)
Stream density at flowing conditions. Accepts a liquid density UOM.
SDENSITY (uLden, LV or GV) Standard condition stream density using a specific UOM. LV (the default) specifies liquid volume basis. GV specifies gas volume basis. SDENSITY (uLden, LV or GV, ASTD) Standard condition stream densities ASTD changes to rates to adjusted standard conditions API
Standard condition stream API gravity.
SPGR(WATER or AIR) Standard condition stream specific gravity. The valid qualifier is either WATER (default) which reports standard liquid density as measured against water at 60 F and 1 atm, or AIR, which reports standard vapor density as measured against air at 60 F and 1 atm (or standard conditions as defined in the General Data Category). TBP, TBP10, D86, D86C, D1078, D1160, D1580, D2887
Individual TBP, TBP 10%, D86, D86 cracking, D1078, D1160, D1580, and D2887 assay curves. Cuts are reported as liquid volume percentages.
TBPWT
Individual TBP assay curve reported as weight percentages.
TC(utemp), PC(upres),
Stream critical temperature, critical pressure, critical volume and critical compressibility as computed with Kay's rule. VC and ZC do
Chapter 9.5
STREAM DOCUMENTATION 146
VC, ZC
not accept any qualifiers or arguments.
TR, PR, VR
Stream reduced temperature, pressure, and volume as computed with Kay’s rule. These are dimensionless values.
ACENTRIC
Stream mole average acentric factor.
WATSONK
Stream Watson characterization factor.
ZFACTOR
Compressibility factor.
ZKVAL
Compressibility factor calculated from K-Value.
NMWS(WT)
Non-Molecular solid mass flow
TOTS(WT)
Total solid mass flow
NMWH(WT, uenth),
Non-Molecular solid enthalpy on weight (WT) basis.
NBP(basis, utemp) ABP(basis, utemp)
Stream average normal boiling point in default temperature units. The allowable bases are mole average (M - default), weight average (WT) and liquid volume average (LV).
BPAT(upres), DPAT(upres)
Boiling point pressure and dew point pressure at the actual flowing temperature of the stream using a specified pressure UOM.
BTAP(utemp), DTAP(utemp)
Boiling temperature and dew point temperature at the actual flowing pressure of the stream using a specified temperature UOM.
MW
Stream molecular weight.
CP(basis, uCp)
Stream heat capacity (constant pressure) on a mole (M - default) or weight (WT) basis using a specified Cp UOM.
CV(basis, uCp)
Stream heat capacity on a constant volume basis on a mole (M default) or weight (WT) basis using a specified Cp UOM. The Cv value is rigorously calculated.
CPRATIO
Ratio of CP/CV where CV is rigorously calculated.
TCOND(ucond)
Stream thermal conductivity using a specified UOM.
VISCOSITY(uvisc)
Stream viscosity using a specified viscosity UOM.
SURFACE(usurf)
Stream liquid surface tension using a specified UOM.
RVP(basis)
Total stream Reid vapor pressure reported as psi. Table 9.5-2 shows the available options for basis. Table 9.5-2 1 RVP Methods RVP Basis
Method
APINAPHTHA
API Technical Data Book, Fig. 5B1.1
APICRUDE
API Technical Data Book, Fig. 5B1.2
Chapter 9.5
STREAM DOCUMENTATION 147
D323
ASTM D323-82 rigorous simulation
P323
ASTM D323-79 rigorous simulation
D4953
ASTM D4953-91 rigorous simulation
D5191
ASTM D5191-91 rigorous simulation
1
The RVP method also must be declared on the METHOD statement of Thermodynamic Input data. The global default is normally APINAPHTHA, but may be changed to any basis on the CALCULATION statement in the General Data category.
TVP(upres)
Liquid stream true vapor pressure.
sproperty(qualifier) Table 9.5-3 lists the special stream refinery properties available on a FORMAT statement. Each requested property must also be defined on the METHOD statement in the Thermodynamic Data category of input. Otherwise, the property will be reported as “missing.”
Table 9.5-3 - Stream Special Refinery Properties sproperty (qualifier)1
Properties Predicted
ANEU
Neutralize number
ANIL( utemp )
Aniline point
AROM(frac, TOTA or RING)
Aromatics content
ASH(pct)
Ash content
ASPH(ppm, C5 or C7)
Asphaltene content
ASUL(pct)
Aliphatic sulfur content
BROM
Bromine number
CABP( utemp )
Cubic average boiling point
CARB(pct)
Carbon content
CCR
Conradson carbon residue
CETA
Cetane index
CETN
Cetane number
CFPP( utemp )
Cold filter plug point
Chapter 9.5
STREAM DOCUMENTATION 148
Table 9.5-3 - Stream Special Refinery Properties sproperty (qualifier)1
Properties Predicted
CHRA
Carbon-hydrogen ratio
CLOU( utemp )
Cloud point temperature
FLPO ( CC or OC, utemp ) {formerly FLPT}
Flash point temperature CC = closed cup (default), OC = open cup
FRZP( utemp )
Freeze point temperature
H2(pct)
Hydrogen content
IRON(ppm)
Iron content
KVIS(utemp)
Kinematic viscosity
LUMI
Luminometer number
MEAB( utemp )
Mean average boiling point
MERC(ppm)
Mercaptan content
MOAB( utemp )
Molal average boiling point
MON(C or L)
Motor octane number
NAPH(frac)
Naphthene content
NHV(uenth)
Net heating value
NICK(ppm)
Nickel content
NITR(ufrac, TOTAL, BASI, NONE)
Nitrogen content
NOAC
Noack volatility
NPHL(frac)
Naphthalene content
OXYG(ppm)
Oxygen content
PARA(frac)
Paraffin content
PENET
Penetration index
PHEN(ppm)
Phenol content
POUR( utemp )
Pour point temperature
REFR(C20 or C70)
Refractive index
RON(C or L)
Research octane number
SMOK
Smoke point
SOFT
Softening point
Chapter 9.5
STREAM DOCUMENTATION 149
Table 9.5-3 - Stream Special Refinery Properties sproperty (qualifier)1
Properties Predicted
SPROP(i)
User-defined special property
SULF(pct)
Sulfur content
VANA(ppm)
Vanadium content
WAX(pct)
Wax content
WTAR(pct)
Weight aromatic content
WTNA(pct)
Weight naphthenic content
WTPA(pct)
Weight paraffinic content
1
Properties with “frac”, “ppm”, or “pct”, may use any one of these qualifiers. The particular qualifier indicated is the default for that property.
GHV(uener, uVvol)
Stream gross heating value in energy and vapor volume units (default as per standard vapor unit).
C3PLUS
Rate of flow for propane and heavier components as standard US gallons per 1000 standard cubic feet. This is a vapor property.
LHV(uener, uVvol)
Stream lower heating value in energy and vapor volume units (default as per standard vapor unit).
C2PLUS
Rate of flow for ethane and heavier components as standard US gallons per 1000 standard cubic feet. This is a vapor property.
PH
Liquid PH
IONSTRENGTH
Liquid ion strength
Stream Comments (optional) NOTES
STREAM=sid, TEXT= descriptive text
The NOTES statement supplies optional comments for any flowsheet stream. Refer to Annotating Objects with Notes in chapter 3, Input Conventions. STREAM=sid
Chapter 9.5
The “sid” argument is the stream identifier as supplied on the PROPERTY statement or on a PRODUCT statement of a unit operation. Depending upon the placement of the NOTES statement, the stream ID may or may not be required. If the NOTES statement is placed following a PROPERTY statement, the stream ID does not need to be specified. Streams not declared on a PROPERTY statement, such as internal or
STREAM DOCUMENTATION 150
product streams, require the STREAM=sid entry on the NOTES statement. TEXT
This entry specifies the actual Note. The body of the Note may be specified on multiple lines, but only the first 4096 characters are stored. Additional characters are processed and discarded.
Examples E9.5-1: Stream NAME Example Assign stream NAMES to a debutanizer feed and products. NAME
FD, WILD NAPHTHA/OVHD, C4 MINUS/BTMS, NAPHTHA
E9.5-2: Stream OUTPUT Example Request a CHEMICALS output for streams OXYL, PXYL, MXYL and EBNZ. A DESCRIPTION field is provided for this report. OUTPUT
FORMAT=CHEMICAL, & STREAM=OXYL, PXYL, MXYL, EBNZ, & DESCRIPTION=XYLENE FRACTIONATOR & PRODUCT STREAMS
E9.5-3: Stream OUTPUT and FORMAT Example Generate a special stream report for streams FD1, FD2, and PROD which replaces both the component flow and stream summary reports. TITLE ..... PRINT STREAM=NONE, ..... ..... STREAM DATA ..... OUTPUT STREAMS=FD1,FD2,PROD, FORMAT=FMT1 FORMAT IDNO=FMT1, DRY, TOTAL, NAME, PHASE, & CRATE, RATE, LINE, TEMP, PRESSURE, & VAPOR, RATE, MW, HTOTAL, CP(WT), &
Chapter 9.5
STREAM DOCUMENTATION 151
RATE(GV,FT3/D), GHV, ARATE(LV,FT3/M), & DENSITY(LB/FT3), ZFACTOR, TR, PR, & VISC, LIQUID, RATE, MW, HTOTAL, & CP(WT), VISC, SSPGR, SRATE(LV,GAL/M), & DENSITY(LB/FT3), RATE(LV,GAL/M)
E9.5-4 An example for the Stream Data Section containing NOTES STREAM DATA .NAME
P1, COKER FEED/ R1, RECYCLE/ ...
NOTES STREAM = P1, TEXT = Slate IMX9 product stream feeds Coker Unit.
.
Chapter 9.5
STREAM DOCUMENTATION 152
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Chapter 9.5
STREAM DOCUMENTATION 153
10 – Unit Operations: Overview General Information All PRO/II simulation runs require at least one unit operation. Most unit operation blocks model actual pieces of plant equipment, such as a PUMP or distillation COLUMN. Other unit operations, such as the CONTROLLER or OPTIMIZER, facilitate flowsheet convergence. Still others are utilities that compute stream properties, such as the heating/cooling curve generator (HCURVE) and PHASE envelope generator. Sections 10.1 – 10.7 provide general information common to some or all unit operations. Detailed descriptions of each unit operation appear in this manual, starting with chapter 11. Section 10.1 is an introduction into PRO/II’s handling of flowsheet topology. It explains how unit operations are linked via streams to form a computational analog of an actual process plant. Section 10.2 discusses features common to some or all unit operations, including the unit operation header statement, FEED and PRODUCT statements, and the METHOD statement. PRO/II can reference parameter values anywhere within the flowsheet. This capability greatly enhances the user’s power to converge flow sheets rapidly and toward solutions that might require multiple runs on other process simulators. Section 10.3 provides a concise summary of all unit operation and stream parameters that may be cross-referenced by other unit operations. The various statements that employ cross-referencing are SPEC, OBJECTIVE and CONSTRAINT statements (Section 10.4), the DEFINE statement (Section 10.5), and VARY and CHANGE statements (Section 10.6). Section 10.7 discusses in-line user-written PROCEDURES. This capability allows users to write FORTRAN-like code that may be called and executed without the need to compile and re-link from standard PRO/II unit operations. Note that a user-written PROCEDURE differs from Section 16.1, Calculator, in that the CALCULATOR is a stand-alone unit operation, whereas the PROCEDURE may only be called by other unit operations. Section 10.8 explains the structure and data requirements of reaction sets that may be used by all unit operations that perform reaction calculations.
Chapter 10
UNIT OPERATIONS 154
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Chapter 10
UNIT OPERATIONS 155
10.1 – Flowsheet Topology The primary purpose of flowsheet simulators such as PRO/II is to develop accurate models for process plants. Each plant unit operation has a simulation analog in PRO/II. Calculated products from each simulated unit operation are fed to subsequent unit operations, as they would be in the real plant. Consider the following process flowsheet:
Figure 10.1-1. Process Flowsheet It is a simple matter to translate this process flowsheet into a PRO/II simulation flowsheet. Each unit operation in the flowsheet has a corresponding PRO/II unit operation module that can model it. The topology is completed by providing a stream identifier for each stream to define the feeds and products for each unit.
Figure 10.1-2 PRO/II Simulation Flowsheet Each unit operation is placed in sequence in the Unit Operation Data Category. In this example, a partial listing of the unit operations data would be:
Chapter 10.1
FLOWSHEET TOPOLOGY 156
UNIT OPERATIONS MIXER UID=M1 FEED F1,RVAP PROD M=F100 REACTOR UID=R1 FEED F100 PROD M=F101 (additional REACTOR data) COLUMN UID=C1 FEED F101,10/RLIQ,11 PROD OVHD=P102,100,BTMS=BPRD (additional COLUMN data) SPLITTER UID=S1 etc. PRO/II belongs to the “sequential modular” class of simulators. Normally, PRO/II solves each unit (or group of units in the case of merged columns) in the sequence provided by the user. It is usually preferable to sequence these units in the order of process flow. The sequence may be altered, with the use of the SEQUENCE statement (see Section 5) without shuffling the order of unit operations in the Unit Operations Category. When modeling systems containing recycles, the PRO/II loop analyzer will evaluate the flowsheet topology and find all recycle streams and unit operations to be calculated in each loop. The recycle tolerances and maximum recycle trials for each recycle are set automatically. PRO/II will automatically detect unit operations that have no relevance to the loop convergence and move them outside the recycle loop. If desired, recycle accelerators may be used to improve the rate of convergence. The user may override the PRO/II recycle logic in the Recycle Data Category (Section 17.4). PRO/II provides additional flowsheet calculation control with Section 17.1, Feedback Controller, Section 17.2, Multi-variable Controller, and Section 17.3, Flowsheet Optimizer. These unit operations provide the user with advanced convergence techniques for solving problems with specific solution requirements.
Chapter 10.1
FLOWSHEET TOPOLOGY 157
10.2 – Unit Operation Input Data The basic structure to input unit operation data is discussed in this section. Also, features common to some or all unit operations are discussed in detail, rather than repeating them multiple times throughout this manual. They include the unit operation identification statement, feed and product information, and thermodynamic methods selection. Parameter cross-referencing, another feature common to all unit operations, is discussed in the following Sections (10.3 – 10.6).
Keyword Summary Category Identification (required) UNIT OPERATIONS
Unit Identification (required)
UID= uid,
{NAME= text, KPRINT}
Unit Operations Comments (optional) NOTES
TEXT=Notes Line
Feeds and Products (required) FEED
sid,
{sid, ... }
PRODUCT V=sid, {W=sid, S=sid} or L=sid, {W=sid, S =sid} or V=sid, L =sid, { W =sid, S =sid} or M=sid, { W =sid, S =sid}
Thermodynamic Set Selection (optional) METHODS
Chapter 10.2
SET=setid
UNIT OPERATION INPUT 158
Input Description Unit operation data are entered with the following general format:
Unit Operations (required) UID=uid, ... FEED sid, ... PROD V=sid, L=sid, ... unit specific data SPEC ... DEFINE ... METHODS SET=setid ...
(required) (conditional) (conditional) (required, Section 11+) (conditional, Section 10.4) (optional, Section 10.5) (optional, see Section 10.2)
UID=uid, ...
Following the statement, subsequent statements may appear in any order. Exceptions to this are the SHORTCUT PROD statements (Section 12.8), the reactor STOICHIOMETRY definitions (Sections 14.1-14.6), and the CALCULATOR unit operation (Section 16.1).
Category Identification (required) UNIT OPERATIONS This statement is required in every PRO/II keyword input file. The statements that follow pertain directly to unit operations data.
Unit Operation Header Statement UID=uid, {NAME=text, KPRINT} Each unit operation module included in a simulation requires a statement of this form to identify it. It must be the first statement in the block of input statements that defines the unit operation. Table 10.2-1 lists the available options and the sections of this manual that document them.
This entry is a keyword that identifies the unit operation being modeled. Refer to Table 10.2-1.
UID
The unit identifier field is an alphanumeric string containing a maximum of twelve characters. It uniquely identifies each unit operation. Embedded blanks are not permitted. UID is used for referring to the unit operation with specifications and for sequencing. Although not strictly required, it is highly recommended that one be included for each unit operation. All simulations created via PROVISION software will automatically have one, and UID is generally recommended for proper data transfer into the PROVISION database.
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 10.2
values given are defaults
UNIT OPERATION INPUT 159
Table 10.2-1 PRO/II Unit Operations Section
Unit Type
Section
Unit Type
11.1
FLASH
13.3
LNGHX
11.2
PUMP
14.1
REACTOR Conversion/Equilibrium
11.3
VALVE
14.2
METHANATOR/SHIFT Reactor
11.4
MIXER
14.3
GIBBS Reactor
11.5
SPLITTER
14.4
PLUG Reactor
11.6
COMPRESSOR
14.5
CSTReactor
11.7
EXPANDER
15.1
DRYER
11.8
PIPE
15.2
RFILTER
11.9
BLEND
15.3
FCENTRIFUGE
11.10
RESET
15.4
CCDECANTER
11.11
COMPONENT REPORTER
15.5
DISSOLVER
11.12
CAPEOPENUNIT
15.6
CRYSTALLIZER
11.13
MEMBRANE SEPARATOR
15.7
MELTER/FREEZER
11.14
ELECTROLYTE FUELCELL
16.1
CALCULATOR
12.1
COLUMN Input Description
16.2
STCALC
12.2
IO Column Model
16.3
HCURVE
12.3
SURE Column Model
16.4
PHASE
12.4
CHEMDIST Column Model
16.5
HYDRATES
12.5
RXDIST Column Model
16.6
BVLE
12.6
ENHANCEDIO Column Model
16.7
HEXTABLES
12.8
SHORTCUT Column Model
17.1
CONTROLLER
12.9
LLEX Column Model
17.2
MVC
©
12.10
RATEFRAC Column Model
17.3
OPTIMIZER
13.1
HX Simple
19.1
DEPRESSURIZING
13.2
HXRIG Rigorous
NAME
This is an optional description field used for labeling output results. Up to 40 alphanumeric characters may be given, including embedded blanks. The following characters are not allowed: = / * , & $ ( )
KPRINT
Presence of this optional keyword generates a table of component K-values on the FLASH unit operations. For other unit operations, this keyword is accepted but has no effect.
Chapter 10.2
UNIT OPERATION INPUT 160
Example: COLUMN
UID= S1, NAME= STRIPPER
FLASH UID= 1, KPRINT
Unit Operations Comments (optional) NOTES
TEXT= descriptive text
The NOTES statement in a Unit Operation Input Block provides a TEXT entry that specifies the actual Note. The body of the Note may be specified on multiple lines, but only the first 4096 characters are stored. Additional characters are processed and discarded. Since the NOTES statement appears within the Unit Operation Input block, the unit ID is not required. Refer to Annotating Objects with Notes in chapter 3, Input Conventions .
Example: An example for the Unit Operation Section containing NOTES follows. (Ampersands at the end of lines are continuation marks that are not part of the note.) COLUMN
UID = COL1, NAME =DEETHANIZER
NOTES TEXT = This unit is a de-ethanizer that removes C2 and lighter & components from a hydrocarbon gas feed. The bottoms & product contains ethane to propane in the ratio of 0.025. PARA TRAY = 20, IO= 20
Feed Statements (required) FEED
sid,
sid
{sid, ... }
An alphanumeric string of one to twelve characters. Each ‘sid’ uniquely identifies one stream and may not be reused to identify a different stream.
Every unit operation in a flowsheet, excluding controllers and utility unit operations, requires at least one feed. The format shown here is common to most unit operations; however, there are a few variations due to the input requirements for each unit. Table 10.2-2 (below) shows the exceptions. See the specific unit operation section in the manual for details. Table 10.2-2 Unit Operations with Alternate FEED Statement Formulations Section 12.1 12.8 12.9 13.1
Unit type
COLUMN SHORTCUT LLEX HX
Chapter 10.2
Section 13.2 13.3 16.2 19.1
Unit type
HXRIG LNGHX STCALC DEPRESSURING
UNIT OPERATION INPUT 161
The feed may be one of three types: An external stream defined with a PROPERTY statement (Section 9.1). A product stream of another unit operation defined by its calculations. A recycle stream initialized first in the STREAM DATA Category of input with a PROP statement, and then updated on each cycle iteration by another unit operation. Most unit operations support an unlimited number of feeds. When multiple feeds are specified, the combined feed is flashed adiabatically at the lowest feed pressure to calculate the composite feed thermal conditions. When a unit operation has a zero flow in all its feeds, it is bypassed, and a warning is issued.
Example: FEED FEED
1L, 1V, RECY 1
Product Statement PRODUCT V=sid, {W=sid, S=sid} or L=sid, {W=sid, S =sid} or V=sid, L =sid, { W =sid, S =sid} or M=sid, { W =sid, S =sid} V L M W
S
Designates a product stream in the vapor phase. Designates a product stream in the liquid phase. Designates a product stream with mixed vapor and liquid phases. Designates a product stream with decanted water. Water must form an immiscible phase, which is the default calculation method for most generalized K-value predictors. ‘W’ may also be used to designate a second liquid phase when VLLE phase behavior is predicted. Designates a product stream containing only solid components.
Each product stream is flashed to determine its thermal state. Except for utility unit operations (such as CONTROLLER, etc.) and those units noted in Table 10.2-3, all unit operations support the option to separate the flashed product into vapor, liquid, decanted water or solid phase products. For example, if the user suspects that condensate may form in a compressor, the compressor product may be divided into its vapor, liquid, and (if necessary) free water phases, each with its own unique stream label.
Chapter 10.2
UNIT OPERATION INPUT 162
Table 10.2-3 Unit Operations with Alternate PRODUCT Statement Formulations Section 11.4 11.5 13.1 13.2 13.3 13.4 13.5
Unit type 1
MIXER 1 SPLITTER 2 HX 2 HXRIG 2 LNGHX AIRCOOLER FURNACE
Section 15.1 15.2 15.3 15.4 15.5 15.6 16.2
Unit type 3
DRYER 3 RFILTER 3 FCENTRIFUGE 3 CCDECANTER 3 DISSOLVER 3 CRYSTALIZER 2 STCALC
1 Products are not separated into phases. 2 Products may be separated into phases. 3 Special solids handling unit.
If the user incorrectly predicts the calculated product phase, PRO/II overrides the phase. A maximum of two liquid phases may exist in any product. There are two mechanisms for separating these liquid phases: pure water decant modeling (the default) and rigorous vapor-liquid-liquid equilibrium modeling. Chapter 1 of the Thermodynamic Data Keyword Manual describes setting up VLLE models. Refer to the PRO/II Reference Manual for a complete discussion of phase equilibrium calculations. If solids are present, they may be separated into a pure solid stream designated by the S product. If S is not given, all solids exit the unit operation via the L phase. If L is also not given, the solids are placed in the V phase. As shown in Table 10.2-3, PRO/II has six special unit operations for special solid handling. Refer to those sections in the manual for information on product phase handling.
Example: PROD PROD
V=22, L=23, W=24 M=PR, S=RSDU
Unit Specific Data (required) Each unit operation has keyword input specific to the functions of the unit operations. Refer to the appropriate manual section (starting with Section 11.1) for complete input descriptions.
Chapter 10.2
UNIT OPERATION INPUT 163
Thermodynamic Set Selection (optional) METHODS SET=setid Each unit operation can ‘point’ to a different thermodynamic setid, as defined in the Thermodynamic Data Category (refer to Section 8). For example, it is possible to describe one unit operation with SRK thermodynamics, and the next with NRTL liquid activity coefficients, should it be appropriate to do so. When the METHODS statement is omitted, the unit operation uses the default thermodynamic set as identified in the Thermodynamic Data Category. Most unit operations follow this format. There are variations in the input format for the rigorous column unit operations and heat exchanger unit operations to allow multiple thermodynamic sets within the same unit operation. Flowsheet control unit operations (CONTROLLER, MVC and OPTIMIZER) and the HYDRATES and CALCULATOR units do not permit thermodynamic set allocation.
Example: METHOD
SET=SET01
Using Multiple Thermodynamic Methods Complex unit operation models in PRO/II usually allow using different thermodynamic methods in different parts of the model. For example, the HXRIG heat exchanger model supports different thermodynamic methods on the shell and tube sides. Each thermodynamic method set first must be declared in the Thermodynamic Data section of input. Multiple thermodynamic sets must be used with care, particularly if the enthalpy method changes as the stream leaves one unit operation and enters the next. PRO/II preserves the flowing enthalpy and pressure. This may create a discontinuity in stream enthalpy when a new enthalpy method is used, and could result in a different stream temperature. In this situation, a RESET unit should be placed between the two unit operations. The RESET unit resets the enthalpy datum of a stream using the correct thermodynamic method of the unit the stream feeds. Refer to Chapter 11.10 for more information.
.
Chapter 10.2
UNIT OPERATION INPUT 164
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Chapter 10.2
UNIT OPERATION INPUT 165
10.3 – Flowsheet Parameters Nearly all unit operations in PRO/II allow flowsheet parameters to be cross-referenced. Most unit operation parameters may be either DEFINED or SPECified relative to virtually any other parameter value in the flowsheet. A large number of flow sheeting parameters may be VARYed to meet user defined specifications or to optimize on a user defined objective function. Parameters may also be CHANGED interactively and through CASESTUDY. This cross-referencing feature dramatically increases the power and flexibility of the PRO/II simulation program. In all, there are six separate statement types for cross-referencing parameters. The statement type used in the unit operation depends on the context and is clearly spelled out in the appropriate unit operation section. The eight types are: Table 10.3-1 Methods of Cross-Referencing Flowsheet Data Statement Type Description SPEC Fixes unit operation performance specification. OBJECTIVE Fixes the objective function in an OPTIMIZER unit operation. CONSTRAINT Specifies a domain of valid OPTIMIZER solutions. DEFINE Defines unit operation parameter value. VARY Allows an otherwise fixed flowsheet parameter to vary. See Example 3 in section 16.1 when using CALCULATOR results in VARY statements. CHANGE Changes a flowsheet parameter value in a CASESTUDY. PARAMETER Allows parametric cycling of an otherwise fixed flowsheet parameter in a CASESTUDY. RESULT Reports flowsheet parameter values in CASESTUDY cycles. In addition to these six statement types, all parameters that may be CHANGED through the CASESTUDY feature may also be CHANGED interactively. See Section 18.2. Several PRO/II unit operations use the generalized specification format described here to define the performance of the unit. They are: FLASH, SPLITTER, COLUMN/SIDESTRIPPER, SHORTCUT, LLEX, CONTROLLER, MVC, OPTIMIZER In addition to generalized specifications, the OPTIMIZER also uses the OBJECTIVE and CONSTRAINT statements. The OBJECTIVE and CONSTRAINTS have access to the same flowsheet parameters as the SPEC statement and have nearly the same keyword input format. They are discussed here together.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 166
Keyword Summary Parameters Available for Cross-referencing Tables 10.3-2A and B are lists of unit operation parameters available for crossreferencing.
Table 10.3-2A Stream Cross-reference Availability PRODUCT STREAM SPECIFICATIONS STREAM (See definitions below)
1
COLUMN FLASH
CHEM/LLE SHORT 3 X
SPLIT
TEMP(utemp) PRESSURE(upres)
X
IO/SURE 3 X
RATE(basis, urate), {COMP=i,j}
X
X
X
X
X
RATE(LV, ASTD, uLVol)
X
X
X
X
X
RATE(GV, ASTD, uGVol)
X
X
X
X
X
FRACTION(basis), COMP=i,j PERCENT(basis), COMP=i,j PPM(basis), COMP=i,j GRAINS, COMP=i,j MOISTURE(basis) LFRAC VFRAC WFRAC MW API SPGR COMPRESSIBILITY DENSITY(uLdens) MOLVOL(uspvol) HOTVOL(ugvrate) ADENSITY(uLdens) ENTHALPY(uduty) ENTROPY (uentro) CP(uCp) CV(uCp) TBP(utemp, %value, VOL or WT, IP or EP) TBP10(utemp, vol%, IP or EP) ATPE (aka ATPCT)=pct D86(utemp, vol%, IP or EP) D1160(utemp, vol%, IP or EP, P10 or P760) D2887(utemp, wt%, IP or EP)
X X X X X X X X X X X X X X X X X X X X X
X X X X X
X X X
X X X X X
X X X X X X X X X X X X X
X
X X X X
X X X X
X X X X
X
X
X
Chapter 10.4
2
X
X
X X X X
X X X X X X X X X X X X X
SPECS, CONSTRAINTS AND OBJECTIVES 167
Table 10.3-2A Stream Cross-reference Availability PRODUCT STREAM SPECIFICATIONS STREAM (See definitions below)
1
COLUMN FLASH
IO/SURE
CHEM/LLE SHORT
SPLIT
where: (basis) = M, W, LV or GV, (unit) = dimensional units (type 1) = APINAPHTHA or APICRUDE or P323 or D323 or D4953 or D5191 Aromatic (type 2) = TOTAL (default) or MONO or DI or TRI or TETRA or PENTA or HEPTA or RING 5 RVP(type 1) X X X TVP(upres) X X X 4 VISCOSITY (uvisc) X X X 4 CONDUCTIVITY (ucond) X X X SURFACE(usurf) X X X ADEN(uLdens) X X X ANEU X X X ANIL(utemp) X X X 6 AROM(ufrac, type2) X X X ASH(upct) X X X ASPH(uppm, C5 or C7) X X X ASUL(upct) X X X BROM X X X CABP(utemp) X X X CARB(upct) X X X CCR(ufrac) X X X CETA alias CETI X X X CETN alias CTNO X X X CFPP(utemp) X X X CHRA X X X CLOU(utemp) X X X 3 X X X FLPO(CC or OC or WC, temp) FRZP(utemp) X X X GHV(uhval) X X X H2(upct) X X X IRON(uppm) X X X KVIS(ukvis) X X X LHV(uhval) X X X LUMI X X X 1 Also available on internal stream 2 Available as a DEFINE 3 Specify tray temperature elsewhere in the specification MON(C or L) X X X MEAB(utemp) X X X
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 168
Table 10.3-2A Stream Cross-reference Availability PRODUCT STREAM SPECIFICATIONS STREAM (See definitions below) MERC(uppm) MOAB(utemp) NAPH(ufrac) NICK(uppm) NITR alias N2(frac, TOTAL or BASI or NONB) NOAC NPHL(ufrac) OXYG alias O2 (uppm) PARA(ufrac, TOTAL or NORM or ISO or ALKY or POLY) PENET PHEN(uppm) POUR(utemp) REFT(utemp)= temp RIND SMOK SOFT 1 SPROP( i ) SULF alias SC, SLFR(upct) 2 VANA(uppm) 2 WAX(upct) 9 WOBB(uhval) (Wobbe index) 2 WTAR(pct) 2 WTNA(upct) 2 WTPA(upct)
1
COLUMN FLASH
CHEM/LLE SHORT X X X X X
X X X X X
IO/SURE X X X X X
X X X
X X X
X X X
X
X
X
X X X X X X X X X X X
X X X X X X X X X X X
X X X X X X X X X X X
X
X
X
X X X
X X X
X X X
SPLIT
1 Also available on internal streams (i)=1 to 9999 2 For those properties with qualifiers frac, ppm, or pct, any one of these three qualifiers may be specified. The qualifier frac or ppm or pct indicated is the default for that property. 3. Open Cup (OC) or Closed Cup (CC, the default) methods are the qualifiers associated to
calculate flash point. 4 Must have PHASE=V or L or S on statement. Solid viscosities are blending values that contribute to overall slurry viscosities. 5 Include RVP/TVP entries on the Thermodynamic METHOD statement. 9 Wobbe Index is defined as Iwobbe = GHV / (SpGr)1/2
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 169
Table 10.3-2B Stream Cross-reference Availability 1
STREAM (See definitions below) TEMP(utemp) PRESSURE(upres) RATE(ubasis, urate) RATE(ubasis, urate), COMP=i,j FRACTION(basis), COMP=i,j PERCENT(basis), COMP=i,j PPM(basis), COMP=i,j GRAINS, COMP=i,j MOISTURE(basis) LFRAC VFRAC WFRAC MW API SPGR DENSITY(uLdens) MOLVOL(uspvol) HOTVOL(ugvrat) ADENSITY(uLdens)
SPECS
VARY
CONTROLLER, MVC, OPTIMIZER X X X X X X X X X X X X X X X X X X X
X X X
X ENTHALPY (uduty) X X ENTROPY (uentro) X X CP(uCp) X X CV(uCp) X X TBP(utemp, %value, X VOL or WT, IP or EP) X TBP10(utemp, vol%, IP or EP) X ATPE (aka ATPCT)=pct, X D86(utemp, vol%, IP or EP) X D1160(utemp, vol%, IP or EP, P10 or P760) X D2887(utemp, wt%, IP or EP) 4 RVP(type 1) X TVP(upres) X where: (basis) = M, W, LV or GV, (unit) = dimensional units
1 2
2
CHANGE X X X
2 X X X X X X X X X X X X X X X X X X
X X X X X
X X X X X X X X X X X X
Includes SPEC, CONSTRAINT, and OBJECTIVE statements. available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE, and CASESTUDY RESULT statements.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 170
Table 10.3-2B Stream Cross-reference Availability 1
STREAM 3 4
SPECS
VARY
2
CHANGE
2 CONTROLLER, MVC, OPTIMIZER (See definitions below) Must have PHASE=V or L or S on statement. Solid viscosities are blended values that contribute to overall slurry viscosities. (type 1) = APINAPHTHA or APICRUDE or P323 or D323 or D4953 or D5191
KVIS(ukvis) and REFT(utemp) with KVIS only POUR alias PRPT(utemp) CLOU alias CLPT(utemp) FRZP(utemp) CFPP(utemp) 5 FLPO (CC or OC, utemp) {alias FLPT} RON(C or L) MON(C or L) CETA alias CETI CETN alias CTNO REFR(C20 or C70) ANIL(utemp) 6 AROM(ufrac, TOTA or type 2) WTAR(upct) NAPH(ufrac) WTNA(upct) 7 PARA(ufrac, TOTAL or type 3) WTPA(upct) NPHL(ufrac) H2(upct) CARB(upct) CHRA SMOKE LUMI SULF alias SLFR(upct), MERC(uppm), ASUL(upct), NITR(ufrac, TOTA, or BASI or NONB) alias N2 OXYG alias O2(uppm) CCR(ufrac) NICK(uppm)
Chapter 10.4
X
X
X X X X
X X X X
X
X
X X X X X X X X X X X X X X X X X X X X X
X X X X X X X X X X X X X X X X X X X X
X
X
X X X
X X X
x
SPECS, CONSTRAINTS AND OBJECTIVES 171
Table 10.3-2B Stream Cross-reference Availability 1
STREAM (See definitions below) VANA(uppm) IRON(uppm) ASPH(uppm, C7 or C5) PHEN(uppm) ANEU BROM MEAB(utemp) CABP(utemp) MOAB(utemp) NHV(uenth) WAX(upct) ASH(upct) NOAC SOFT PENET 8 SPROP(i) 1 2
4 5 6
SPECS
VARY
CONTROLLER, MVC, OPTIMIZER X X X X X X X X X X X X X X X X
2
CHANGE
2 X X X X X X X X X X X X X X X X
Includes OPTIMIZER SPECS, DEFINES and OBJECTIVES For those properties with qualifiers frac, ppm, or pct, any one of these three qualifiers may be specified. The qualifier frac or ppm or pct indicated is the default for that property. Also include RVP/TVP entries on the Thermodynamic METHOD statement. Open Cup (OC) and Closed Cup (CC, the default) methods are the qualifiers associated with flash point calculations. Aromatic (type 2) = TOTAL or MONO, DI, TRI, TETRA, PENT, HEPT, or RING
7
Paraffin (type 3) = TOTAL or NORM, ISO, ALKY or POLY
8
(i) = 1 to 9999
Keyword Description TEMP
Stream temperature.
PRESSURE
Stream pressure. This specification is not valid for internal column streams.
RATE
Total or component flowing rate on a molar(M), weight (W), standard liquid volume (LV), or standard gas volume (GV) basis. The default is molar basis.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 172
FRACTION PERCENT PPM
Component purity fraction, percent or parts per million on a molar (M), weight (W), standard liquid volume (LV), or standard gas volume (GV) basis. The default is molar basis.
GRAINS
Component concentration measured as grains per 100 standard cubic feet.
MOISTURE
Weight ratio of water to solids. If solids content is zero, value of MOISTURE is set to 0.0.
LFRAC VFRAC WFRAC
Mole fraction of the total stream in the liquid, vapor, or water phase, respectively. LFRAC includes free water.
MW
Stream molecular weight.
API SPGR DENSITY MOLVOL
Stream API gravity, liquid specific gravity (at 60 F / 60 F), standard liquid density or molar liquid volume, respectively. DENSITY is in units of density, while MOLVOL is in units of mole volume.
ENTHALPY
The total stream flowing enthalpy in millions of energy/time units.
HOTVOL
Total stream (vapor + liquid + water) volume at flowing conditions. Default units are problem vapor volume units per unit time.
TBP TBP10 D86 D1160
True boiling point at 760 mmHg, TBP at 10 mmHg, D86 at 760 mmHg, and D1160 at 10 mmHg distillations, respectively. Defaults to input temperature units. The percent at which the distillation point is taken must be provided. Any multiple of 5% (i.e., 5, 15, 75, etc.) or IP and EP may be given. For example, D86(10,F) specifies the D86 in degrees F at 10 volume percent.
TBP,ATPCT
The boiling point at 760 mmHg and at any percent. For example, TBP,ATPCT=6 specifies the 6% distillation true boiling point at 760 mmHg.
RVP
Reid vapor pressure reported as psi. The qualifier can be APINAPHTHA which uses the Figure 5B1.1 from the API Technical Data Book, or APICRUDE, which uses Figure 5B1.2, or P323 which uses the ASTM D323-73 simulation, or D323 which uses the ASTM D323-82 simulation, or D4953 which uses the ASTM D4953-91 simulation, or D5191 which uses the ASTM D5191-91 simulation. The global default is normally APINAPHTHA, but may be changed to any basis on the CALCULATION statement in the General Data category. (Also declare an RVP method in a Thermo METHOD.)
TVP
True vapor pressure measured at the temperature given on the TVPBASIS entry on the CALCULATION statement in the General Data Category (defaults to 100 F or equivalent). The qualifier defaults to input pressure units. . (Also declare a TVP method in a Thermo METHOD.)
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 173
VISCOSITY CONDUCTIVITY SURFACE
The absolute (dynamic) viscosity, thermal conductivity and surface tension, respectively.
COMP=i,j
When used together with RATE, i and j are the first and last numbers in a range of components for a component flowing rate specification. When used together with FRACTION, PERCENT, PPM or GRAINS, i and j designate a range of components for a purity specification. If j is not given, it defaults to i.
REFTEMP
The REFTEMP entry specifies a reference temperature for kinematic viscosity (KVIS). It is required when KVIS appears in a specification; otherwise it is not allowed. The default is 77° F (English) or 25° C (metric or SI). It supports a dimensional units qualifier for temperature; for example: REFTEMP( F ) = 77.0
A description of the special refinery properties available is given in Table 9.2-2 of Section 9.2, “Streams with Assay Data”.
Available unit operation cross-reference parameters are tabulated in Tables 10.3-3 A-H. Refer to each unit operation section for a more comprehensive definition for each parameter.
Table 10.3-3A General Flowsheet Unit Operation Parameters Available for Cross-Referencing FLASH TEMP(utemp) PRESSURE(upres) DP(upres) DUTY(uduty) SPEC ENTRAINMENT(idno) ERATE(MOLE) PUMP TEMP(utemp) PRESSURE(upres) DP(upres) WORK(uvgrate, uwork) HEAD(ugvrate, uleng) EFF
Chapter 10.4
DESCRIPTION
WITHIN UNITOP DEFINE
Temperature Pressure Pressure drop Enthalpy increase Specification Entrainment Pseudo stream rate Temperature Pressure Pressure increase Work performed Head Efficiency
X X X X
CONTROL, 2 MVC, CHANGE 3 OPTIMIZER SPEC VARY X X X X
X X
X X
X X X X X
X X X X X X X
X X X X X X X
X X
X X
X
X
SPECS, CONSTRAINTS AND OBJECTIVES 174
X X X X
X X X X X
Table 10.3-3A General Flowsheet Unit Operation Parameters Available for Cross-Referencing PRATIO VALVE TEMP(utemp) PRESSURE(upres) DP(upres) MIXER TEMP(utemp) PRESSURE(upres) DP(upres) SPLITTER TEMP(utemp) PRESSURE (upres) DP(upres) SPEC(idno) 4 COMPRESSOR TEMP(utemp) PRESSURE(upres) DP(upres) PRATIO WORK(uwork) HEAD(ulen) EFF POLY PIN(upres) PDESIGN(upres) 4 COMPRESSOR PRSWITCH ACDP(upres) ACTEMP(utemp) TEST(utemp) RPM REFRPM FANE FANH
Chapter 10.4
DESCRIPTION
Pout/Pin
WITHIN UNITOP DEFINE X
CONTROL, 2 MVC, CHANGE 3 OPTIMIZER SPEC VARY X X X X
Temperature Pressure Pressure drop
X X
X X X
X X
X X
X X X
Temperature Pressure Pressure drop
X X X
X X X
X X X
X X X
X X X
Temperature Pressure Pressure drop Specification
X X X
X X X
X X X X
X X X X
X X X
Comp. outlet temp. Comp. outlet pressure Comp. pres. Increase Pout/Pin Delta H/Effadd Head Adiabatic efficiency Polytrophic efficiency Inlet pressure Maximum outlet pres.
X X X X X
X X X X X X
X X X X X X X X
X X X X X
X X X X X X X X
Calc. method switch After cooler pres. drop After cooler temp. Est. outlet temp. Rotational speed Fan law reference RPM Fan law efficiency Exponent Fan law head exponent
X X X X
X X
X X
X X X
X X X
X X X
X
X
X
X X X X
X X
X X
X X X X
SPECS, CONSTRAINTS AND OBJECTIVES 175
Table 10.3-3A General Flowsheet Unit Operation Parameters Available for Cross-Referencing EXPANDER TEMP(utemp) PRESSURE(upres) DP(upres) WORK(uwork) HEAD(ulen) PRATIO EFF PIN(upres) PDESIGN(upres) PIPE DIAMETER(uflen) VMAX(uvelo) VAVG(uvelo) DP(upres) DUTY(uduty) U(uhtc) RROUGHNESS AROUGH(uflen) FRICTION FLOWEFF(upct) LENGTH(uleng) TAMBIENT(utemp) DPMAX(upres) KFACTOR
DESCRIPTION
WITHIN UNITOP DEFINE
Outlet temperature Outlet pressure Pressure rise Delta H * Efficiency Head Pout/Pin Adiabatic efficiency Inlet pressure Minimum outlet pres
X X X X X
Pipeline diam. Maximum fluid velocity Average fluid velocity Total pressure drop Enthalpy change Heat transfer coef. Pipe roughness (rel.) Pipe roughness (abs.) Moody friction factor Flow efficiency Pipeline length Outside ambient temp. Maximum allowable pressure drop Total resistance coef.
X X
X
CONTROL, 2 MVC, CHANGE 3 OPTIMIZER SPEC VARY X X X X X X X
X
X X X X X X
X
X X X X X
X X X
X X X
X X X X
X X X X
X X
X X
X X X X
X X X X X X
X X X X X
X X
X X X X X X X
X X X X X X X X X X X X
X
1 2 3
Includes SPEC, CONSTRAINT, and OBJECTIVE statements. Applies to CASESTUDY CHANGE and PARAMETER statements and to INTERACTIVE changes. available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE and CASESTUDY RESULT statements. 4 Use COMPR or alias CMPR for a COMPRESSOR as a to avoid a conflict with “COMPONENT”.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 176
Table 10.3-3B Distillation Unit Operation Parameters Available for Cross-Referencing CONTROL, WITHIN UNIT MVC, CHANGE OPERATIONS DESCRIPTION 2 3 OPTIMIZER 1 SPEC VARY DEFI SPEC VARY COLUMN REFLUX(L, L1, or L2) RRATIO((L, L1, L2, or LF) DUTY(idno, uduty)
Tray 1 net liq molrate Reflux/overhead prod. Enthalpy increase
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X(6)
FEED(sid)
Feed stream mole rate
DNAME(text)
Duty name
DRAW(sid)
Draw stream mole rate
SPEC(idno)
Specification
X
FF(trayno)
Percent of flood
X(6)
X(6)
MFF
Max. percent of flood
X(6)
X(6)
QCOL
Total Column heat leak
X
X
X
QCOND
Condenser heat leak
X
X
X
QREBO QTRAY
Reboiler heat leak Heat leak per tray
X X
X X
X X
DCBU(trayno, upct)
X X
X X
Downcomer backup
X(6)
X(6)
Max. downcomer backup
X(6)
X(6)
CSAPPROACH(trayno)
Approach to eff. cap.
X
FLAPPROACH(trayno)
Approach to flood
X(6)
DIAM(trayno, uflen)
Diameter
X(6)
X(6)
MDIAM(uflen)
Maximum diameter
X(6)
X(6)
PCOND(upres)
Condenser pressure
X
X
X
PTOP(upres)
Top tray pressure
X
X
X
DP(upres)
Tray by tray pressure drop
X
X
X
MDCBU(upct)
PRESSURE(upres), TRAY=trayno
Chapter 10.4
Tray pressure
X
X
SPECS, CONSTRAINTS AND OBJECTIVES 177
X(6)
Table 10.3-3B Distillation Unit Operation Parameters Available for Cross-Referencing CONTROL, WITHIN UNIT MVC, CHANGE OPERATIONS DESCRIPTION 2 3 OPTIMIZER 1 SPEC VARY DEFI SPEC VARY DPCOL(upres)
Overall pressure drop
X
X
X
X
TEMP(utemp), TRAY=trayno
Tray temperature
FTRAY(idno)
Feed tray number
X
X
X
DTRAY(idno)
Draw tray number
X4
X4
X4
HTRAY(idno)
Heater/cooler tray num.
X
X
X
EFACTOR
Tray efficiency factor
X
X
X
PARATE(idno, urate) PATEMP(idno, utemp)
X
X
X
Pumparound rate
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
Pumparound temp.
X
PRODUCT(urate)
Product rate
X
TSRATE(urate)
Reboiler rate
TSVFRAC(basis) TSLFRAC(basis)
Reboiler vapor fraction Reboiler liquidfraction
X X X
TSTEMP(utemp)
Reboiler temperature
X
TSDT(utemp)
Reboiler temperature increase
X
TEFF(trayno)
Tray efficiency
SHORTCUT FINDEX(idno) SPEC (idno) LLEX SPEC(idno) PTOP(upres) FEED(sid) DRAW(sid) DUTY(idno)
Chapter 10.4
X
Fenske index Specification Specification Top tray pressure Feed mole rate Draw mole rate Enthalpy increase
X
X X
X
X X X
X
X5
X X X X X
X X X X X
SPECS, CONSTRAINTS AND OBJECTIVES 178
X
Notes for Table10.3-3B 1 Includes SPEC, CONSTRAINT and OBJECTIVE statements. 2 Applies to CASESTUDY CHANGE and PARAMETER, and to INTERACTIVE changes 3 available to SPEC, CONSTRAINT, OBJECTIVE, DEFINE and CASESTUDY RESULT 4 DTRAY is not available on VARY or CHANGE for the IO algorithm 5 CASESTUDY only. Not available for INTERACTIVE CHANGES. 6 In order to access any of the tray hydraulic variables, you must provide the mechanical information (trays, packing, etc.). In the case of valve or bubble cap trays, you must also specify that the tray hydraulic calculations be performed during the calculations, this requires that DPCALC be set to some value.
Table 10.3-3C Heat Exchanger Unit Operation Parameters Available for Cross-Referencing
WITHIN UNIT OPERATIONS DESCRIPTION DEFI
HX DUTY(uduty) HDP(upres) CDP(upres) CTEMP(utemp) CLFRAC CDTBB(utemp) CDTAD(utemp) HTEMP(utemp) HLFRAC HDTBB(utemp) HDTAD(utemp) (2 sided HX) LMTD(utemp) ZMTD(utemp) U(uhtco) AREA(uarea) UA(uhxcfg) FT HOCI(utemp) HICO(utemp) HOCO(utemp) TMIN(utemp) MITA(utemp) TOLER HXRIG DUTY(uduty) U(uhtc)
Chapter 10.4
Duty Hot side pressure drop Cold side press drop Cold side outlet temp. Cold side liq. Fraction Cold temp. below BP Cold temp. above dew. Hot side outlet temp. Hot side liq. Fraction Hot temp. below BP Hot temp. above dew Log mean temp. diff. LMTD from zones Heat trans. coef. Active area Area*Heat trans. coef. LMTD correction factor Thot,out -Scolding Thot,in - Tcold,out Thot,out - Tcold,out Min(HOCI, HICO) Min int temp approach Convergence Tolerance Duty Heat trans. coef.
X X X X X X X X X X X
X X X X X X X X X X
CONTROLLER, MVC, OPTIMIZER SPEC1 X X X
X X
X X X X X X X X X X
X X
CHANGE2
3
VARY X X X X X X X X X X X
X X X X X X X X X X X
X X X X X X X X X X
X X X X X X X X X X
X
X
X X X X
X
X X X X X X X X X X X
X X
SPECS, CONSTRAINTS AND OBJECTIVES 179
Table 10.3-3C Heat Exchanger Unit Operation Parameters Available for Cross-Referencing
WITHIN UNIT OPERATIONS DESCRIPTION DEFI
UEST(uhtc) AREA(uarea) UA(uhxcfg) LMTD(utemp) STEMP(utemp) TTEMP(utemp) TFOUL(ufoul) SFOUL(ufoul) RFOUL(ufoul) LNGHX TDUTY(uduty) TEMP(cell, utemp) DUTY(cell, uduty) DP(cell, upres) UA(uhxcfg) LMTD(utemp) MITA(utemp)
Est. heat trans. Coeff. Area U * area Log mean temp. diff. Shell side outlet temp. Tube side outlet temp. Tubeside fouling factor Shellside fouling factor Required fouling factor Total duty Outlet temperature Duty on single stream Pressure drop Total U * area Log mean temp diff. Min int temp approach
CONTROLLER, MVC, OPTIMIZER SPEC1
CHANGE2
3
VARY X
X X X X X X
X X X
X X X X X X X X X X X X X X
X
X X X X
X X X
X X X X
X X X
X X X X X X X X X X X X X X X
1 Includes SPEC, CONSTRAINT and OBJECTIVE statements. 2 Applies to CASESTUDY CHANGE and PARAMETER statements and to INTERACTIVE changes. 3 available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE and CASESTUDY RESULT statements.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 180
Table 10.3-3D Reactor Unit Operation Parameters Available for Cross-Referencing CONVERSION REACTOR TEMP(utemp) PRESSURE(upres) DP(upres) DUTY(uduty) CONVERSION(cno) STOIC (cno) EQUILIBRIUM REACTOR TEMP(utemp) PRESSURE(upres) DP(upres) DUTY(uduty) CONVERSION (idno) GIBBS TEMP(utemp) PRESSURE(upres) DP(upres) DUTY(uduty) PLUGFLOW TEMP(utemp) PRESSURE(upres) DP(upres) PIN(upres) DPIN(upres) DUTY(uduty) DIAMETER(uleng) LENGTH(uleng) TUBES U (uhtco) TIN(utemp) TOUT(utemp) PEXP(idno) ACTIVATION (idno) CONVERSION (idno) RDATA(idno)
Chapter 10.4
DESCRIPTIO N
WITHIN UNIT OPERATIONS
CONTROLLER, MVC, OPTIMIZER 1
DEFI SPEC
CHANGE2
VARY
X X X X X
3
X X X X X
Outlet temperature Outlet pressure Pressure drop Enthalpy increase Conversion fraction Stoichiometric coef.
X X X X X X
X X X X X
X X X X X
Outlet temperature Outlet pressure Pressure drop Enthalpy increase Conversion fraction
X X X X
X X X X X
X X X X
X X X X
X X X X X
Outlet temperature Outlet pressure Pressure drop Enthalpy increase
X X X X
X X X X
X X X X
X X X X
X X X X
Reactor outlet temp. Reactor outlet pres. Reactor pres. drop Reactor inlet pres. Reactor inlet dep. Enthalpy increase Tube diameter Reactor length Number of tubes Heat transfer coef.
X X X
X X
X X X X X
X
X X X X X X X X X X
X X X X X X X X X X
X X X X X X X X X X
Inlet temperature of external stream Outlet temperature of external stream Pre-exponential factor Activation energy Conversion fraction User-added real data
X X
X
X
X X
X
X X
X X
X X
X
X
X
X
X
X
X
X
SPECS, CONSTRAINTS AND OBJECTIVES 181
Table 10.3-3D Reactor Unit Operation Parameters Available for Cross-Referencing CSTR TEMP(utemp) PRESSURE(upres) DP(upres) DUTY(uduty) CONVERSION(idno) PEXP(idno) ACTIVATIONidno), VOLUME(uvol) TMIN(utemp) TMAX(utemp) VMAX(uvol) RDATA(idno)
1 2 3
DESCRIPTIO N
WITHIN UNIT OPERATIONS
Reactor temp. Reactor pressure Pressure drop Enthalpy change Conversion fraction Pre-exponential factor Activation energy Reactor volume Minimum temp. Maximum temp. Maxi. volume User-added real data
CONTROLLER, MVC, OPTIMIZER 1
DEFI SPEC X X X X X X X X X X X X
X X X X X
CHANGE2
3
X X X X
X X X X
X X X X X X X
X X X X X X X
X X X X X X X X
VARY
X
Includes SPEC, CONSTRAINT and OBJECTIVE statements. Applies to CASESTUDY CHANGE and PARAMETER statements and to INTERACTIVE changes. available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE and CASESTUDY RESULT statements.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 182
Table 10.3-3E Solids Handling Unit Operation Parameters Available for CrossReferencing DRYER TEMP(utemp) PRESSURE(upres) DP(upres) DUTY(uduty)
CONTROLLER, WITHIN CHANGE MVC, UNIT 2 OPTIMIZER 3 DESCRIPTION OPERATION 1 DEFI SPEC VARY Temperature Pressure Pressure drop Enthalpy increase
X X X X
X X X X
X X X X
X X X X
X X X X
X X X X X X X X
X X X X X X X X
X X X X X X X X
X X X X X X X X
X X
POROSITY FRES SRES CFACTOR SPHERICITY DPARTICLE (uflen)
Filter diameter Filter width Width to diameter Max. allowable DP Filter rotational speed Percent submerged Angle of filtration Percent. solids in cake Porosity of cake Resistance to filtrate Specific resistance Cake compressibility Sphericity of particle Particle diameter
X X X X X X
X X X X X X
X X X X X X
X X X X X X
X X X X X X
FCENTRIFUGE DIAMETER(uleng) RLIQUID RCAKE RHEIGHT RPM PSOLIDS POROSITY MRES SRES SPHERICITY DPARTICLE (uflen) LDIA LRPM TYPE
Centrifuge diameter Rliquid/Rcentrifuge Rcake/Rcentrifuge Hcent/Rcent Rotational speed Pct. solids in cake Porosity of cake Resistance to filtrate Specific resistance Sphericity of particle Particle diameter Liquid diameter Liquid RPM Centrifuge type
X X X X X X X X X X X X X X
X X X X X X X X X X X X X X
X X X X X X X X X X X X X X
X X X X X X X X X X X X X X
X X X X X X X X X X X X X X
Solid mass ratio Liq. volumetric ratio % component liquid recovery
X X X
RFILTER DIAMETER(uleng) WIDTH(uleng) WDRATIO DPMAX(upres) RPM PSUBMERGED ANGLE PSOLIDS
CCDECANTER WRATIO LRATIO RECOVERY
Chapter 10.4
X X X
X X X
SPECS, CONSTRAINTS AND OBJECTIVES 183
Table 10.3-3E Solids Handling Unit Operation Parameters Available for CrossReferencing
DISSOLVER TEMP(utemp) DT(utemp) PRESSURE(upres) DP(upres) DUTY(uduty) AKC, BKC VOLUME(uvol) DRATE DFRAC CRYSTALLIZER TEMP(utemp) DT(utemp) PRESSURE(upres) DP (upres) DUTY(uduty) RECIRC(uLvRate) SSRATIO PRATE(uWtRate) PFRAC VOLUME(uLiqvol) MT(udens) MELTER/ FREEZER TEMP(utemp) DT(utemp) PRESSURE(upres) DP(upres) MELFRAC (idno) FREFRAC (idno) DUTY 1 2 3
CONTROLLER, WITHIN CHANGE MVC, UNIT 2 OPTIMIZER 3 DESCRIPTION OPERATION 1 DEFI SPEC VARY
Temperature Temp. increase Pressure Pressure drop Enthalpy increase Mass transfer parameters Volume of crystallizer Flow rate Fraction
X X X X X X
X X
X
Temperature Temp. increase Pressure Pressure drop Enthalpy increase Recirculation rate Saturation ratio Production rate of crystal Fraction solute to crystallize Crystallizer volume Magma density
X X X X X X X X
X X X X X
X X X X X X
X
X
X
X
X
X X
X X
X X X X X X X X
X X X X X X X X
X X X X X X X X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X X
X X X
X
Temperature X Temperature X increase X Pressure X Pressure drop X Melt Fraction Freeze Fraction X Enthalpy increase Includes SPEC, CONSTRAINT and OBJECTIVE statements. Applies to CASESTUDY CHANGE and PARAMETER statements and to INTERACTIVE changes. available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE and CASESTUDY RESULT statements.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 184
Table 10.3-3F Utility Unit Operation Parameters Available for Cross-Referencing
DESCRIPTION
WITHIN UNIT OP DEFINE
CALCULATOR R(idno) P(idno)
Calculator Result Calculator Parameter
X
STCALC 4 TEMP(prno, utemp) PRESS(prno, upres) DT(prno, utemp) DTBB(prdno, utemp) DTAD(prdno, utemp) DP(prdno, upres) FACTOR(feeddno) DUTY(ubasis) 5 FOVHD(idno,ubasis) FBTMS(idno, ubasis) FPROD(idno, ubasis) ROVHD(idno,ubasis) RBTMS(idno, ubasis) RPROD(idno,ubasis) XOVHD(idno, ubasis) XBTMS(idno, ubasis) XPROD(idno, ubasis)
Product temperature Product pressure Temperature increase Temp. below bubb pt. Temp. above dew pt. Pressure drop Feed co-factor Net enthalpy increase Fraction overhead Fraction bottoms Fraction product Rate overhead Rate bottoms Rate product Composition overhead Composition bottoms Composition product
X X X X X X X X X X X X X X X X X
CONTROLLER SPEC
Specification
CONTROL, MVC, OPTIMIZER 1
CHANGE 2
3
X
X
X
X X X X X X X X X X X X X X X X X
X X X X X X X X X X X X X X X X X
X
X
SPEC
VARY
X
X
6
1 Includes SPEC, CONSTRAINT and OBJECTIVE statements. 2 Applies to CASESTUDY CHANGE and PARAMETER statements and to INTERACTIVE changes. 3 available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE and CASESTUDY RESULT statements. 4 prno, prdno refer to the product number: OVHD=1, BTMS=2, and PROD=3. 5 idno refers to spec value in sequence given on the FOVHD (or FBTMS, etc.) statement. 6 CASESTUDY only. Not available for INTERACTIVE CHANGES.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 185
Table 10.3-3G Utility Unit Operation Parameters Available for Cross-Referencing MVC SPEC(idno) OPTIMIZER SPEC(idno) CONSTRAINT (idno) PHASE ENVELOPE TC(utemp) PC(upres) TCT(utemp) PCT(upres) TCB(upres) PCB(upres)
WITHIN CONTROL, UNIT MVC, CHANGE 2 OPS OPTIMIZER 3 1 DEFINE SPEC VARY
DESCRIPTION
6
Specification
X
X
Specification Constraint
X X
X 6 X
X X X X X X
X X X X X X
X X X X X X
Critical temperature Critical pressure Cricondentherm temperature Cricondentherm pressure Cricondenbar temperature Cricondenbar pressure
6
1 Includes SPEC, CONSTRAINT and OBJECTIVE statements. 2 Applies to CASESTUDY CHANGE and PARAMETER statements and to INTERACTIVE changes. 3 available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE and CASESTUDY RESULT statements. 6 CASESTUDY only. Not available for INTERACTIVE CHANGES.
Table 10.3-3H Non-steady State Unit Operation Parameters DEPRESSURING PFINAL(upres) PRELIEF(upres) FINALTIME(utime) RELIEFTIME(utime) DTIME(utimet) CONSTANT(uwtra)
Chapter 10.4
Description
Within Unit Operations DEFI
Final vessel pressure Relief vessel pressure Final simulation time Vessel relief time Duration of relief Valve constant (weight rate)
CONTROL, MVC, OPTIMIZER SPEC1
X X X X X X
X
X
VARY
CHANGE2
X X X X
X X X X
X
X
3 X X X X
SPECS, CONSTRAINTS AND OBJECTIVES 186
X
Table 10.3-3H Non-steady State Unit Operation Parameters DEPRESSURING PBACK (upres) CV CF IWAREA(uarea) HTAREA(uarea) HTC(uhtco) HTCFAC HTCVAP(uhtco) HTCLIQ(uhtco) C1 C2 C3 C4 C5 TEMP(utemp) DUTY(uduty) VRATE VOLUME(uliqvol) HOLDUP DIAMETER(uleng) VOLFACTOR LIQHEIGHT(ulen) WEIGHT(uwt) CP(ucp) HORIZONTAL(ulen) VERTICAL(uleng) TSTEP(utime) ISENTROPIC(pct) QFAC AFAC
Description
Within Unit Operations DEFI
Valve back-pressure Valve coefficient Critical flow factor Initial wetted area Heat transfer area Heat transfer coef. HTC factor Vapor phase HTC Liquid phase HTC Heat model coef. 1 Heat model coef. 2 Heat model coef. 3 Heat model coef. 4 Heat model coef. 5 Final fluid temp. Final heat duty Final vent gas rate Total vessel volume Liquid holdup Vessel diameter Volume correction factor Height of holdup liquid Weight of vessel Specific heat of vessel Tangent-tangent vessel length Tangent-tangent vessel height Calculation time step expansion efficiency % Heat scaling factor Area scaling factor
CONTROL, MVC, OPTIMIZER SPEC1
X X X X X X X X X X X X X X X X
VARY
CHANGE2
3 X X X X X X X X X
X X X X X X X X X
X X X X X X X X X
X X X X X X
X X X X X X
X
X X X X X X X X
X X X X X X X X
X X X X X X X X X X X X X X X X X
X
X
X
X
X X X X X X X
X X X
X X X X X X X X X X X X X X X X 1 Includes SPEC, CONSTRAINT and OBJECTIVE statements. 2 Applies to CASESTUDY CHANGE and PARAMETER statements and to INTERACTIVE changes. 3 available to all SPEC, CONSTRAINT, OBJECTIVE, DEFINE and CASESTUDY RESULT statements.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 187
Table 10.3-4 Thermodynamic Parameters
Property THERMO= id
2
KIJ(i,j) 2 KIJT(I,j) 2 KIJC(I,j) TC(i) PC(i) VC(i) ACEN(i) 1 STC(i,j) SPC(i,j)
1
SACEN(i,j)
1
PENE(i) PCHO(i) MW(i) NBP(i) SPGR(i) 1 2
CONTROL, MVC, OPTIMIZER
Description
SPEC
CHANGE
VARY
Thermo METHOD set ID (required when using multiple METHOD sets) Interaction parameter of comp. pair (i,j) Vary/change temp independent part st Vary/change 1 temp dependent part nd Vary/change 2 temp dependent part
X
X
X X X
X X X
Critical temperature for component i Critical pressure for component i Critical volume for component i Acentric factor for component i Critical temperature scaling factor of components i through j Scaling factor for critical pressures of components i – j Scaling factor for acentric factors of components i – j Peneloux parameter for component i Parachor for component i Molecular weight of component i Normal boiling point temperature, comp. i Specific gravity of component i
X X X X X
X X X X X
X
X
X
X
X X X X X
X X X X X
The supplied scaling factor applies to components i through j. KIJ, KIJT, and KIJC are available omly when METHOD SYSTEM-SRK or PR
Entry THERMO is required to identify the thermodynamic METHOD set associated with the specified property. This entry is required when the simulation includes more than one thermodynamic METHOD set. The following example illustrates a CONTROLLER varying the temperature portion of the interaction parameter for the pair consisting of components1 and 6. Note the THERMO entry identifies the appropriate METHOD set. THERMODYNAMIC DATA METHOD SYSTEM=PR, SET=PR01 ... CONTROLLER UID=CN1 SPEC CALCULATOR=CA1, R(2), VALUE=0 VARY THERMO=PR01, KIJ(1,6), EST2=0.1
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 188
Table 10.3-5 Reaction Set Parameters (Chapter 10.8) Reaction type
Reference property
All reactions
RXSET REACTION COMPONENT PEXP ACTIVATION TEXP KORDER
Kinetics
Equilibrium
Conversion
EEXP A, B, C, D, E, F, G, or H C0, C1, or C2
Description Identifier of reaction set (required) Identifier of a specific reaction (required) Identifies a specific component (when needed) Pre-exponential factor of kinetics rate eqn. Activation energy of the reaction. Temperature exponential factor in rate eqn. Kinetic reaction order of component (COMP entry required) Equilibrium constant of the reaction equation Individual coefficients of an equilibrium reaction equation Individual coefficients of a conversion reaction.
The reaction set data shown in Table 10.3-5 may be used in DEFINE statements of appropriate unit operations. The RXDIST column model, Plug flow reactor and CSTR reactor all support kinetic reactions and data. Only the equilibrium reactor supports equilibrium reaction data, and only the Conversion reactor may access conversion data. Refer to chapter 10.8 for a complete description of reactions sets and associated data.
Examples: Ex 10.3-5.1: Set the reaction pre-exponential factor to a calculator result: CALCULATOR UID=CAL1 DEFINE P(1) AS STREAM=1, COMP=5, RATE PROCEDURE R(1)=P(1)*6.9 RETURN COLUMN UID=T1, NAME=LLEX PARAM TRAY=4, LLEX=50, DAMP=0.6 RXTRAY REFE=SET01, LOCAL=LSET01, TRAYS=1 DEFINE RXSET=LSET01, REACTION=REAC01, PEXP AS CALC=CAL1, R(1)
Example 10.3-5.2: Retrieve the kinetic order of component 3 from reaction Rx2 in set RS1: CALCULATOR UID=CAL2 DEFINE P(3) AS RXSET=RS1, REACTION=RX2, COMP=3, KORDER
Note: The COMP entry is required to identify component 3 of KORDER data
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 189
10.4 – Specifications, Constraints, and Objectives Keyword Summary Generalized Specification Format Specifying a stream property: SPEC
STREAM=sid, , PHASE=T or L or V or S, WET or DRY, {, , }, VALUE=value, {ATOL=value or RTOL=value}
Specifying a column-internal stream property: SPEC
COLUMN=uid or SIDESTRIPPER=uid, , PHASE=L or V, TRAY=value, WET or DRY, {, , }, VALUE=value, {ATOL=value or RTOL=value}
Specifying a unit operation parameter: SPEC
, , {, , }, VALUE=value, {ATOL=value or RTOL=value}
Optimizer Objective Functions Same as SPEC statement except use: OBJECTIVE instead of SPEC MAXI or MINI instead of VALUE=value RTOL instead of ATOL or RTOL
Optimizer Constraints Same as SPEC statement except use: CONSTRAINT
instead of SPEC
MAXI=value and/or MINI=value instead of VALUE=value
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 10.4
values given are defaults
SPECS, CONSTRAINTS AND OBJECTIVES 190
General Information Generalized SPEC Statement The SPEC statement defines a stream property, a tray vapor or liquid property, or a unit operation parameter. Each SPEC may be given as an absolute quantity (e.g., set the rate of stream 1 to 100 lbs/hr) or as a relative quantity (e.g., set the rate of stream 1 to twice that of stream 2). SPECS are available for the following unit operations: FLASH, SPLITTER, COLUMN/SIDESTRIPPER, SHORTCUT, LLEX, CONTROLLER, MVC, and OPTIMIZER
Number of SPEC Statements - Degrees of Freedom There is always a one-to-one relationship between the degrees of freedom (or variables) and the number of SPEC statements. Degrees of freedom are either identified with a VARY statement or, in some cases, are inherent in the particular unit operation. A CONTROLLER has exactly one degree of freedom; i.e., there is exactly one upstream variable defined by the VARY statement, and one corresponding specification defined by the SPEC statement. As its name implies, the Multi Variable Controller (MVC) has an unlimited number of degrees of freedom. For each variable defined by a VARY statement, there is exactly one specification defined by a SPEC statement. The OPTIMIZER is different in that the optimum is determined by varying any number of flowsheet parameters. However, the number of degrees of freedom (VARY statements) must always be equal to or greater than the number of SPECS + CONSTRAINTS. The number of CONSTRAINTs that may be defined is independent of the number of variables. The number of degrees of freedom in COLUMNS and SIDESTRIPPERS is determined by the number of product streams. Each variable may be defined in a VARY statement, although a shorthand notation allows multiple variables to be defined on a single VARY statement. PRO/II requires exactly one SPEC statement for each variable given. FLASHES inherently have two degrees of freedom that establish a thermodynamic state. When using a simple FLASH (ADIA, ISOT, ISEN, DEW, DEWW, DEWH or BUBB), both thermodynamic variables are automatically set; thus, no SPEC statements are allowed. When using the TPSPEC statement, only one thermodynamic variable is set, permitting one SPEC statement to be given. The SHORTCUT distillation has two degrees of freedom for the first separation into two products, and two additional degrees for each additional product. Thus, NSPSHORTCUT = 2 * (NOP - 1) where NSP is the number of SPECS and NOP is the number of products. The SPLITTER has one degree of freedom for the first separation into two products, and adds one additional degree for each additional product. Thus, NSPSPLITTER = NOP - 1
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 191
CONSTRAINT and OBJECTIVE Statements The OPTIMIZER CONSTRAINT statement defines the domain of acceptable flowsheet solutions. The OPTIMIZER OBJECTIVE statement defines the function to be minimized or maximized. CONSTRAINT and OBJECTIVE statements can access precisely the same flowsheet parameters as the SPEC statement for CONTROLLERS, MVC's, and OPTIMIZERS, and is therefore included in this discussion. For more detailed information, refer to Section 17.3, “Flowsheet Optimizer”.
Input Description Generalized Specification Format Specifying a stream property: SPEC
STREAM=sid, , PHASE=T or L or V or S, WET or DRY, {, , }, VALUE=value, {ATOL=value or RTOL=value}
See Tables 10.3-2 A-B for valid STREAM entries. Specifying a column-internal stream property: SPEC
COLUMN=uid or SIDESTRIPPER=uid, , PHASE=L or V, TRAY=value, WET or DRY, {, , }, VALUE=value, {ATOL=value or RTOL=value}
Specifying a unit operation parameter: SPEC
, , {, , }, VALUE=value, {ATOL=value or RTOL=value}
See Tables 10.3-3 A-H for valid unit operation entries. The available dimensional units for each property are those specified in Table 4.2 for the appropriate unit class. The entries on the SPEC statement are order dependent. Each statement part, if given, must appear in the correct order: SPEC
, , part 1 (required) , part 2 (optional) , , part 3 (conditional) VALUE=value, part 4 (required) {} part 5 (optional)
However, within a statement part, entries may appear in any order.
and entries See Tables 10.3-2 A-B for valid STREAM entries. See Tables 10.3-3 A-H for valid unit operation entries.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 192
The entry identifies the stream, internal column stream, or unit operation affected by the specification. The entry identifies the unit operation parameter or stream property being specified. Similarly, the entry identifies the reference stream or unit operation that supplies the value, and the entry identifies the stream property or unit operation parameter that supplies the value. If the entry is not given, it defaults to the current unit operation. All specifications made in a CONTROLLER, MVC, or OPTIMIZER must have a entry. For CAPE-OPEN unit operations, the syntax for and is PNAME(uom) = "propertyName", where propertyName is the name of a parameter exposed by the CAPE-OPEN unit. The property name should always be in double quotes. The valid list of property names is determined at run-time for each CAPE-OPEN unit operation and this list will be different for different CAPE-OPEN unit operations. Refer to the documentation provided with the specific CAPE-OPEN unit operation being used to determine the list of valid property names. The uom corresponding to the property name is optional and will work properly only if the CAPE-OPEN unit operation supports units-ofmeasure for its parameters. Refer to the documentation provided with the CAPE-OPEN unit operation to determine if it supports units-of-measure for its parameters. Part 3 is required if an entry is present; otherwise it is disallowed. Either or (but not both) may be omitted from part 3, in which case it defaults to the corresponding part 1 entry. See the paragraph on automatic referencing below. When the specification is made relative to the total composite feed to the unit operation, the REFFEED keyword is used in place of STREAM. PRO/II issues a warning message if and have different dimensional units, but does not terminate the run.
entry PLUS (aliases are SUM and ADD) MINUS
(aliases are DIFFERENCE and SUBTRACT)
TIMES
(alias is MULTIPLY)
DIVIDE
(aliases are RATIO and OVER)
The is entered when the specification VALUE is supplied on a relative basis of with respect to .
Table 10.4-1 Operator Functions PLUS, SUM, ADD MINUS, DIFF, SUBT TIMES, MULTIPLY DIVIDE, RATIO, OVER none
Chapter 10.4
function + - * / (Use unmodified)
SPECS, CONSTRAINTS AND OBJECTIVES 193
Referencing Part 1 Entries in Part 3 For clarity, many users may choose to completely define part 3 ( and ) when making specifications that are relative. However, as a convenience, many of the items defined in part 1 are automatically transferred to part 3. Table 10.4-2 Automatic Referencing of Specifications Column Internal Streams TRAY PHASE COLUMN dimensions basis vol% COMP=a, b WET/DRY
Streams PHASE dimensions basis vol% COMP=a, b WET/DRY
Unit Operations =uid parameter (idno) dimensions
The tables above list the items referenced from part 1 to part 3 unless overridden by the user. No information is referenced if a is defined in one part and a STREAM is defined in the other.
VALUE Entry VALUE = value This is the actual value the flowsheet needs to attain (within tolerance) before PRO/II will accept the flowsheet as being solved. In the following example, the stream BT must have an RVP of 12.0 before solution is reached: SPEC STREAM=BT, RVP, VALUE=12.0
Entries {ATOL=value or RTOL=value} Tolerances may be given on an absolute or relative basis. For example, any value in the range 99.9 • value • 100.1 satisfies the following absolute tolerance: SPEC
...,VALUE=100, ATOL=0.1
Similarly, any value in the range 90 • value • 110 satisfies the following relative tolerance: SPEC ..., VALUE=100, RTOL=0.1 If a value is not supplied for ATOL and RTOL, either a default value of 0.01 or the value given by the MISC keyword on the TOLERANCE statement in the General Data category of input will be used.
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 194
SPECIFICATION Statements: Stream Standard Volume Rates Many unit operations in PRO/II support operating specifications that specify a variety of properties of their product streams. Examples include product temperature, pressure, and phase state, to mention a few. However, only a few unit operations support specifying product rates. Unit operations enhanced to support adjusted standard volume flow rates include:
• • • •
flash drum splitter distillation column algorithms Controllers (feedback controller, MVC, and Optimizer)
Keyword Interface Generic syntax: SPEC STREAM=sid, , & { , , modifiers 2>} & VALUE=value, {miscellaneous modifiers} Standard liquid volume rates: SPEC STREAM=sid, RATE(LV, uLvol), {PHASE=T or L or V or S,} {WET or DRY}, & {, , , } & VALUE=value, {ATOL=value or RTOL=value} Standard l gas volume rates: SPEC STREAM=sid, RATE(GV, uGvol), PHASE=T or L or V or S, {WET or DRY}, & {, , ,,} & VALUE=value, {ATOL=value or RTOL=value}
Adding ASTD as a qualifier to the RATE key word changes the specification to an
Adjusted Standard Volume specification. In all other respects, the syntax is unchanged.
Adjusted standard liquid volume rates: SPEC STREAM=sid, RATE(LV, ASTD, uLvol), PHASE=T or L or V or S, {WET,} & {, , , ,} & VALUE=value, {ATOL=value or RTOL=value}
Chapter 10.4
SPECS, CONSTRAINTS AND OBJECTIVES 195
Adjusted standard gas volume rates: SPEC STREAM=sid, RATE(GV, ASTD, uGvol), {PHASE=T or L or V or S,} {WET}, & {, , , {WET}, & VALUE=value, {ATOL=value or RTOL=value} is required whenever a second reference is present., Otherwise, is not allowed. , , and represent a reference to a second
datum. They may refer to a flow rate, including another ASTD rate, as does , or they may refer to a different type of datum. Refer to chapters 10.3 through 10.6 of the PRO/II Keyword Manual for a thorough discussion of the syntax of SPECIFICATION statements.
Sample Specification of Standard Volume Rates Distillation columns support specifications that specify rates of product draws. The first of the following two statements specifies the standard liquid volume rate of bottoms product BT to be 15.5 ft3/hr. The second specifies the standard gas volume rate of overhead product OV as 280.0 cubic meters per minute. SPEC ID=COL1SPEC1, STREAM=BT, RATE(LV,FT3/H), TOTAL, WET, VALUE=15.5 SPEC ID=COL1SPEC2, STREAM=OV, RATE(GV,M3/MIN), TOTAL, WET, VALUE=280.0
Sample Specification of Adjusted Standard Volume Rates Specifying volume rates at adjusted standard conditions is very similar to specifying volume rates at standard vapor conditions. Merely add keyword ASTD as an additional qualifier for the RATE entry. Compare the following specifications to the statements in the example immediately above. SPEC ID=COL1SPEC1, STREAM=BT, RATE(LV, ASTD, FT3/H), TOTAL, WET, VALUE=15.5 SPEC ID=COL1SPEC2, STREAM=OV, RATE(GV, ASTD, M3/MIN), TOTAL, WET, VALUE=280.0
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SPECS, CONSTRAINTS AND OBJECTIVES 196
Examples E10-4.1: Stream rate specifications: Stream rates may be set on any basis using generalized specifications. Several examples follow. Set the flow rate of stream L1 to 25 standard liquid volume units. SPEC STREAM=L1, RATE(LV), VALUE=25 Set the flow rate of stream W2 to 1000 weight units. SPEC STREAM=W2, RATE(WT),
VALUE=1000
Set the flow rate of stream C4 to the current value of R(3) from CALCULATOR C1. SPEC
STREAM=C4, RATE(W), DIVIDE, CALC=C1, R(3), & VALUE=1
E10-4.2: Component recovery specifications: Set the flow rate of stream M3 such that the total rate of components 3 plus 4 plus 5 is 1000 moles. SPEC STREAM=M3, COMP=3, 5, RATE, VALUE=1000 Set the flow rate of stream C1 such that the rate of component 3 is 25% of the component 3 rate in stream FD. Note that the second “COMP=3, RATE” is optional. SPEC STREAM=C1, COMP=3, RATE, RATIO, STREAM=FD, & COMP=3, RATE, VALUE=0.25 Set the flow rate of stream C2 such that the weight basis recovery of components 6 through 12 is 95% of components 6 through 12 in the total feeds to the unit. SPEC STREAM=C2, COMP=6,12, RATE(W), RATIO, REFFEEDS, VALUE=0.95
E10-4.3: Stream property examples: Set temperature of stream 12 to be 5 K higher than the temperature of stream 10. Note that TEMPERATURE(K) is used by default for the entry. SPEC STREAM=12, TEMPERATURE(K), MINUS, STREAM=10, & VALUE=5 Set the mole fraction of component 3 in stream C3 to 0.01. SPEC
STREAM=C3, COMP=3, FRACTION, VALUE=0.01
Set the Reid vapor pressure of stream NAPH to 11.5 0.1, as calculated by the API Technical Data Book naphtha nomograph. SPEC STREAM=NAPH, RVP(APINAPHTHA), VALUE=11.5, & ATOL=.1
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SPECS, CONSTRAINTS AND OBJECTIVES 197
E10-4.4: Stream special properties examples: Set the kinematic viscosity to be 0.7320 CST at the reference temperature (REFT) of 122.0 F for stream C4. SPEC STREAM=C4, KVIS(CST), REFT(F)=122.0, VALUE=0.7320 Set the cloud point temperature to be 60.0 C for stream C5. SPEC STREAM=C5, CLOUD(C), VALUE=60.0 Set the sulfur mass fraction to be 0.002 for stream C6. SPEC STREAM=C6, SULF, VALUE=0.002 Set the open cup (OC) flash point temperature to be 333.15 K for stream C7. SPEC STREAM=C7, FLPO(OC, K), VALUE 333.15 Open Cup (OC) and Closed Cup (CC) methods are the qualifiers associated to calculate flash point. CC is the default.
E10-4.5: Tray internal stream specifications: Specify the rate of liquid from tray 1 as half the standard liquid volume rate of all feeds to the column. SPEC TRAY=1, PHASE=L, RATE(LV), REFFEEDS, & RATIO, VALUE=0.5 The next specification is made from within the column input. It sets the V/L ratio for tray 5 on a standard liquid volume basis to 2.5 0.15%. SPEC PHASE=V, TRAY=5, RATE(LV), RATIO, & PHASE=L, TRAY=5, RATE(LV), VALUE=2.5, & RTOL=.0015 The same specification made from a CONTROLLER on COLUMN UID=C1 is: SPEC COLUMN=C1, PHASE=V, TRAY=5, RATE(LV), RATIO, & PHASE=L, TRAY=5, RATE(LV), VALUE=2.5, & RTOL=.0015
E10-4.6: Unit operation specifications: Set the pressure of flash drum F1 at 150 psia. Note that a DEFINE statement must be used instead of this SPEC statement when making the specification within the input block of the flash drum itself. SPEC FLASH=F1, PRESSURE(PSIA), VALUE=150 Specify the work calculated by compressor COM1 as 90 percent of the work produced by expander EXP2. SPEC COMPRESSOR=COM1, WORK, RATIO, & EXPANDER=EXP1, WORK, VALUE=0.9 S pecify the duty calculated by C AP E -OP E N unit C O2 to be a value of 13 B T U/HR . (T his as sumes that the C AP E -OP E N unit C O2 expos es a parameter named ‘‘DutyOut’’ and that the parameter s upports units -of-measure.) SPEC CAPE=CO2, PNAME(BTU/HR)="DutyOut", VALUE=13
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SPECS, CONSTRAINTS AND OBJECTIVES 198
E10-4.7: Examples of automatic referencing: The following pairs of specifications are equivalent. They demonstrate the automatic referencing of to . In this example, STREAM=1 and RATE are automatically referenced. SPEC STREAM=1, COMP=2, RATE, RATIO, COMP=3, & VALUE=0.9 SPEC STREAM=1, COMP=2, RATE, RATIO, STREAM=1, & COMP=3, RATE, VALUE=0.9 In the next example, COMP=5 and RATE are automatically referenced. SPEC STREAM=1, COMP=5, RATE, RATIO, STREAM=2, & VALUE=3 SPEC
STREAM=1, COMP=5, RATE, RATIO, STREAM=2, & COMP=5, RATE, VALUE=3
E10-4.8: OPTIMIZER OBJECTIVE Functions The OBJECTIVE statement uses the same format as the SPEC statement with the following differences: OBJECTIVE
instead of SPEC
MAXI or MINI
instead of VALUE=value
RTOLER
instead of
ATOL or RTOL
OBJECTIVE functions are flowsheet or calculated parameters to be minimized or maximized. All parameters available for the SPEC statement are also available as OBJECTIVE functions. See Section 17.3, “Flowsheet Optimizer”, for more details on OPTIMIZER OBJECTIVE statements.
E10-4.9: OPTIMIZER CONSTRAINT The CONSTRAINT statement uses the same format as the SPEC statement with the following differences: CONSTRAINT
instead of SPEC
MAXI=value and/or MINI=value instead of VALUE=value In the OPTIMIZER, CONSTRAINT statements define the bounds of acceptable flowsheet solutions. All parameters available for the SPEC statement are also available as CONSTRAINTS. See Section 17.3, “Flowsheet Optimizer”, for more details on OPTIMIZER CONSTRAINT statements.
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SPECS, CONSTRAINTS AND OBJECTIVES 199
10.5 – DEFINE Keyword Summary Reference to stream properties: DEFINE
AS STREAM=sid, , {, value or , }
Reference to unit operation parameters: DEFINE
AS =uid, , {, value or , }
General Information The DEFINE statement sets unit operation parameters based on the results of previously computed unit operations and streams. DEFINE statements differ from SPEC statements in the following way: A SPEC statement specifies that a unit operation result will have the given value when the unit is solved while a unit operation or upstream stream parameter will be adjusted to meet that result. A DEFINE statement adjusts a unit operation parameter directly. For example, in an isobaric FLASH unit operation, a composition specification made on a product stream is described on a SPEC statement because PRO/II internally varies the temperature to meet the stream specification. FLASH
UID= EX1, NAME= SPEC EXAMPLE FEED 1 PROD V= 2, L= 3 TPSPEC PRESSURE= 50 SPEC STREAM= 3, FRAC, COMP= 1, VALUE= 0.01 $ TEMPERATURE VARIES TO MEET STREAM 3 $ COMPOSITION SPECIFICATION
However, to fix the temperature relative to another calculated stream temperature, PRO/II requires the DEFINE statement to set the value normally fixed on the ISOTHERMAL statement. This first code fragment demonstrates directly entering the temperature. FLASH
UID= EX2, NAME= ISO FEED 3 PROD V= V2, L= L2 ISOTHERMAL PRESSURE= 50, TEMP= 150 $ PRESSURE, TEMPERATURE FIXED
{ } entries are optional ( ) keyword qualifiers underlined keywords are default. Chapter 10.5
values given are defaults
DEFINE 200
The next code fragment rewrites the previous example to set the flash temperature at 10 degrees below the temperature of stream 3.
FLASH UID= EX2, NAME= DEFINE EXAMPLE FEED 3 PROD V= V2, L= L2 ISOTHERMAL PRESSURE= 50 DEFINE TEMP, AS, STREAM= 3, TEMP, MINUS, 10.0 $ PRESSURE FIXED AT 50, TEMPERATURE FIXED AT $ STREAM 3 TEMPERATURE MINUS 10 DEGREES. Most unit operation input parameters not set on a SPECIFICATION statement may be set on the DEFINE statement. The DEFINE statement will override input parameter entries; e. g., PRO/II will issue a warning message when a DEFINE statement is used to supply an overhead product rate previously given on a PRODUCT statement. See Table 10.3-2 A-B for a complete list of stream accessible by the DEFINE statement, and Table 10.3-3 A-H for a complete list of unit operation accessible by the DEFINE statement. In addition, the valid DEFINES for each unit operation are documented in the corresponding unit operation section in this manual. Table 10.3-4 lists thermodynamic parameters and Table 10.3-5 lists reaction set parameters that are available in the sections of DEFINE statements.
Input Description The syntax of the DEFINE statement is an extension of the SPECIFICATION statement: General form: DEFINE
AS , , {, value or , }
Reference to stream properties: DEFINE
AS STREAM=sid, , {, value or , }
Reference to unit operation parameters: DEFINE
AS =uid, , {, value or , }
may be a stream or unit operation regardless of what type is.
Chapter 10.5
DEFINE 201
Any shown in Table 10.3-2 A-B and10.3-3 A-H as accessible to DEFINE statements.
and
Any property shown in Table 10.3-2 A-B.
Aand
Any property shown in Table10.3-3 A-H.
Any shown in Table 10.5-1.
Value
A numeric value.
Table 10.5-1 Operator Functions PLUS, SUM, ADD MINUS, DIFF, SUBT TIMES, MULTIPLY DIVIDE, RATIO, OVER none
function + 
