Vapor-liquid equilibrium prediction at high pressures using activity coefficients at infinite dilution from COSMO-type methods

被引：37
|
作者：
Constantinescu, D
Klamt, A
Geana, D
机构：
[1] Univ Politecn Burcharest, Dept Appl Phys Chem, Bucharest 313, Romania
[2] Cosmol GmbH & Co KG, D-51381 Leverkusen, Germany
来源：
FLUID PHASE EQUILIBRIA | 2005年 / 231卷 / 02期
关键词：
method of calculation; vapor-liquid equilibria; equation of state; activity coefficient; COSMO-RS model; COSMO-SAC model;
D O I：
10.1016/j.fluid.2005.01.014
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
Predictions of vapor-liquid equilibria at high temperatures and pressures were obtained by applying a modified procedure using the Huron-Vidal mixing rule based on available activity coefficients at infinite dilution and low pressures. These activity coefficients were calculated with so-called conductor-like screening model for real solvents (COSMO-RS) and with a variation of this model, known as segment activity coefficient (COSMO-SAC) model. In this work, the performances of the mixing rule (HVID model) coupled with the SRK equation of state and a reduced UNIQUAC model are presented for six binary systems and a ternary system, whose VLE data are available over a large temperature and pressure range. (c) 2005 Published by Elsevier B.V.
引用
收藏
页码：231 / 238
页数：8
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