Aspen Physical Property System Physical Property Methods Version Number: V8.4 November 2013 Copyright (c) 1981-2013 by Aspen Technology, Inc. All rights reserved. Aspen Physical Property System and the aspen leaf 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 software includes NIST Standard Reference Database 103b: NIST Thermodata Engine Version 7.1 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. 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Aspen Technology, Inc. 200 Wheeler Road Burlington, MA 01803-5501 USA Phone: (1) (781) 221-6400 Toll Free: (888) 996-7100 URL: http://www.aspentech.com Contents Contents..................................................................................................................1 1 Overview of Aspen Physical Property Methods.....................................................5 Thermodynamic Property Methods......................................................................6 Enthalpy Calculation ...............................................................................7 Equation-of-State Method .......................................................................8 Activity Coefficient Method .................................................................... 13 Equation-of-State Models ...................................................................... 24 Activity Coefficient Models..................................................................... 32 Transport Property Methods............................................................................. 34 Viscosity and Thermal Conductivity Methods............................................ 34 Diffusion Coefficient Methods (Theory).................................................... 35 Surface Tension Methods (Theory) ......................................................... 36 Nonconventional Component Enthalpy Calculation .............................................. 36 References for Overview of Aspen Physical Property Methods............................... 38 2 Property Method Descriptions ............................................................................43 Classification of Property Methods and Recommended Use .................................. 43 IDEAL Property Method ................................................................................... 48 Reference Correlations for Specific Components ................................................. 50 REFPROP (NIST Reference Fluid Thermodynamic and Transport Properties Database) ........................................................................................... 51 GERG2008 Property Method .................................................................. 59 Property Methods for Petroleum Mixtures .......................................................... 63 Liquid Fugacity and K-Value Model Property Methods................................ 64 BK10 .................................................................................................. 65 CHAO-SEA........................................................................................... 65 GRAYSON/ GRAYSON2.......................................................................... 67 HYSPR ................................................................................................ 68 HYSSRK .............................................................................................. 69 MXBONNEL.......................................................................................... 71 Petroleum-Tuned Equation-of-State Property Methods .............................. 71 PENG-ROB........................................................................................... 72 RK-SOAVE........................................................................................... 73 SRK.................................................................................................... 74 SRK-KD .............................................................................................. 75 SRK-ML............................................................................................... 76 Common Models for Property Methods for Petroleum Mixtures ................... 76 Equation-of-State Property Methods for High-Pressure Hydrocarbon Applications ... 77 BWR-LS .............................................................................................. 78 BWRS ................................................................................................. 79 LK-PLOCK............................................................................................ 81 PR-BM ................................................................................................ 82 Contents 1 RKS-BM .............................................................................................. 83 Common Models for Equation-of-State Property Methods for High-Pressure Hydrocarbon Applications ...................................................................... 83 Flexible and Predictive Equation-of-State Property Methods ................................. 84 HYSGLYCO .......................................................................................... 86 PC-SAFT: Copolymer PC-SAFT EOS Property Method ................................ 88 PRMHV2.............................................................................................. 95 PRWS ................................................................................................. 96 PSRK .................................................................................................. 97 RK-ASPEN ........................................................................................... 97 RKSMHV2............................................................................................ 98 RKSWS ............................................................................................... 99 SR-POLAR ......................................................................................... 100 Common Models for Flexible and Predictive Equation-of-State Property Methods............................................................................................ 101 Liquid Activity Coefficient Property Methods..................................................... 102 Equations of State.............................................................................. 102 Activity Coefficient Models................................................................... 108 Common Models for Liquid Activity Coefficient Property Methods.............. 117 Electrolyte Property Methods ......................................................................... 117 AMINES ............................................................................................ 119 APISOUR........................................................................................... 121 ELECNRTL ......................................................................................... 122 ENRTL-HF.......................................................................................... 124 ENRTL-HG ......................................................................................... 124 ENRTL-RK ......................................................................................... 125 ENRTL-SR ......................................................................................... 126 PITZER ............................................................................................. 128 B-PITZER .......................................................................................... 130 PITZ-HG............................................................................................ 132 OLI Property Method........................................................................... 132 General and Transport Property Model Parameter Requirements .............. 134 Solids Handling Property Method .................................................................... 135 Steam Tables............................................................................................... 137 STEAM-TA ......................................................................................... 138 STEAMNBS/STEAMNBS2...................................................................... 139 IAPWS-95 Property Method ................................................................. 139 3 Property Calculation Methods and Routes ........................................................141 Introduction ................................................................................................ 141 Physical Properties in the Aspen Physical Property System ................................ 142 Major Properties in the Aspen Physical Property System.......................... 143 Subordinate