Equation of state associated with activity coefficient models to predict low and high pressure vapor-liquid equilibria

被引:8
作者
Hernández-Garduza, O
García-Sánchez, F
Neau, E
Rogalski, M
机构
[1] Inst Mexicano Petr, Grp Simulac Mol, Mexico City 07730, DF, Mexico
[2] Fac Sci Luminy, Chim Phys Lab, F-13288 Marseille, France
[3] Ecole Natl Super Ind Chim, Inst Natl Polytech Lorraine, Lab Thermodynam Chim & Appl, F-54001 Nancy, France
关键词
equation of state; activity coefficient model; vapor-liquid equilibria; scaling factor;
D O I
10.1016/S1385-8947(00)00138-8
中图分类号
X [环境科学、安全科学];
学科分类号
08 ; 0830 ;
摘要
A simple and thermodynamically consistent method is presented to establish an equation of state for mixtures by using activity coefficient model parameters. All current solution models such as NRTL, van Laar, UNIFAC, or any other thermodynamic model can be used. The main feature of the method presented is that only a single scaling factor value determined at a given reference temperature is required to predict the vapor-liquid equilibria in a wide range of temperature and pressure. The performance of the method is tested on the prediction of the vapor-liquid equilibria at low, moderate, and high pressures for six binary systems (methanol-benzene, acetone- water, methanol-acetone, methanol-water, ethanol-water, and 2-propanol-water) and a ternary system (acetone-water-methanol). For comparison, vapor-liquid equilibrium calculations were carried out with the Wong and Sandler method by using the PRSV equation of state associated with the van Laar and scaling factors. On the whole, it is found that at high pressures both methods give similar predictions but at low pressures the proposed method gives sometimes better results than that of Wong and Sandler method. (C) 2000 Elsevier Science S.A. All rights reserved.
引用
收藏
页码:87 / 101
页数:15
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