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  • Aspen Physical Property System

    Physical Property Methods

  • Version Number: V7.1 January 2009

    Copyright (c) 1981-2009 by Aspen Technology, Inc. All rights reserved.

    Aspen Physical Property System, the aspen leaf logo and Plantelligence and Enterprise Optimization are trademarks or registered trademarks of Aspen Technology, Inc., Burlington, MA.

    All other brand and product names are trademarks or registered trademarks of their respective companies.

    This document is intended as a guide to using AspenTech's software. This documentation contains AspenTech proprietary and confidential information and may not be disclosed, used, or copied without the prior consent of AspenTech or as set forth in the applicable license agreement. Users are solely responsible for the proper use of the software and the application of the results obtained.

    Although AspenTech has tested the software and reviewed the documentation, the sole warranty for the software may be found in the applicable license agreement between AspenTech and the user. ASPENTECH MAKES NO WARRANTY OR REPRESENTATION, EITHER EXPRESSED OR IMPLIED, WITH RESPECT TO THIS DOCUMENTATION, ITS QUALITY, PERFORMANCE, MERCHANTABILITY, OR FITNESS FOR A PARTICULAR PURPOSE.

    Aspen Technology, Inc. 200 Wheeler Road Burlington, MA 01803-5501 USA Phone: (1) (781) 221-6400 Toll Free: (1) (888) 996-7100 URL: http://www.aspentech.com

  • Contents 1

    Contents

    1 Overview of Aspen Physical Property Methods.....................................................5 Thermodynamic Property Methods.................................................................... 6

    Equation-of-State Method...................................................................... 7 Activity Coefficient Method....................................................................12 Equation-of-State Models .....................................................................23 Activity Coefficient Models ....................................................................30

    Transport Property Methods............................................................................32 Viscosity and Thermal Conductivity Methods ...........................................32 Diffusion Coefficient Methods ................................................................33 Surface Tension Methods......................................................................34

    Nonconventional Component Enthalpy Calculation..............................................34 References for Overview of Aspen Physical Property Methods ..............................36

    2 Property Method Descriptions ............................................................................40 Classification of Property Methods and Recommended Use ..................................40 IDEAL Property Method ..................................................................................45 REFPROP (NIST Reference Fluid Thermodynamic and Transport Properties Database)47 Property Methods for Petroleum Mixtures..........................................................54

    Liquid Fugacity and K-Value Model Property Methods................................55 BK10.................................................................................................55 CHAO-SEA .........................................................................................56 GRAYSON/ GRAYSON2 .........................................................................57 MXBONNEL.........................................................................................58 Petroleum-Tuned Equation-of-State Property Methods ..............................59 PENG-ROB .........................................................................................59 RK-SOAVE..........................................................................................61 SRK...................................................................................................62 SRK-KD .............................................................................................63 SRK-ML .............................................................................................64 Common Models .................................................................................64

    Equation-of-State Property Methods for High-Pressure Hydrocarbon Applications....65 BWR-LS .............................................................................................66 BWRS................................................................................................67 LK-PLOCK ..........................................................................................69 PR-BM ...............................................................................................70 RKS-BM .............................................................................................71 Common Models .................................................................................72

    Flexible and Predictive Equation-of-State Property Methods.................................72 PC-SAFT: Copolymer PC-SAFT EOS Property Method ..........................................74

    Option Codes for PC-SAFT ....................................................................76 Sample Calculation Results for Copolymer PC-SAFT..................................76 PRMHV2.............................................................................................81

  • 2 Contents

    PRWS ................................................................................................82 PSRK.................................................................................................83 RK-ASPEN ..........................................................................................83 RKSMHV2...........................................................................................84 RKSWS..............................................................................................85 SR-POLAR ..........................................................................................86 Common Models .................................................................................87

    Liquid Activity Coefficient Property Methods ......................................................88 Equations of State ...............................................................................89 Activity Coefficient Models ....................................................................94 Common Models ...............................................................................103

    Electrolyte Property Methods ........................................................................104 AMINES ...........................................................................................105 APISOUR..........................................................................................107 ELECNRTL ........................................................................................108 ENRTL-HF ........................................................................................110 ENRTL-HG........................................................................................110 ENRTL-RK ........................................................................................111 PITZER ............................................................................................111 B-PITZER .........................................................................................113 PITZ-HG ..........................................................................................114 OLI Property Method..........................................................................115 General and Transport Property Model Parameter Requirements ..............116

    Solids Handling Property Method ...................................................................117 Steam Tables .............................................................................................120

    STEAM-TA........................................................................................121 STEAMNBS/STEAMNBS2.....................................................................121

    3 Property Calculation Methods and Routes ........................................................122 Introduction ...............................................................................................122 Physical Properties in the Aspen Physical Property System ................................123

    Major Properties in the Aspen Physical Property System..........................124 Subordinate Properties in the Aspen Physical Property System.................126 Intermediate Properties in the Aspen Physical Property System................128

    Methods ....................................................................................................128 Example: Methods for calculating liquid mixture enthalpy........................130 Vapor Fugacity Coefficient Methods......................................................130 Liquid Fugacity Coefficient Methods......................................................131 Solid Fugacity Coefficient Methods .......................................................134 Vapor Enthalpy Methods.....................................................................135 Liquid Enthalpy Methods.....................................................................136 Solid Enthalpy Methods ......................................................................140 Vapor Gibbs Energy Methods ..............................................................140 Liquid Gibbs Energy Methods ..............................................................141 Solid Gibbs Energy Methods................................................................143 Vapor Entropy Methods .........................