Cross-Association Model for the Phase Equilibria and Surface Tensions of CO2-Methanol and CO2-Ethanol Mixtures

被引：7

作者：

Fu, Dong ^{[1
]}

Hua, XueYin ^{[1
]}

Xu, YiFei ^{[1
]}

机构：

[1] N China Elect Power Univ, Sch Environm Sci & Engn, Baoding 071003, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2011年 / 115卷 / 08期

基金：

中国国家自然科学基金;

关键词：

VAPOR-LIQUID-EQUILIBRIA; EQUATION-OF-STATE; RENORMALIZATION-GROUP THEORY; PERTURBED-CHAIN SAFT; CARBON-DIOXIDE; GRADIENT THEORY; FLUID THEORY; SIMULTANEOUS PREDICTION; INTERFACIAL-TENSION; DENSITY;

D O I：

10.1021/jp108400z

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A cross-association PC-SAFT is proposed for the phase behavior of CO2-methanol and CO2-ethanol mixtures by treating CO2 as a pseudoassociating molecule. Both the vapor-liquid equilibria and vapor-liquid surface tensions from low temperature-pressure to high temperature-pressure are satisfactorily calculated using this model. The results illustrate the temperature and pressure dependence of the cross-association between CO2 and alcohol hydroxyls in the bulk phases and the vapor-liquid surface, and the influence of the cross-association on the calculation of the bulk and interfacial properties.

引用

页码：3340 / 3345

页数：6

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