Surface critical properties of associating fluids calculated by a revised renormalization group theory

被引：0

作者：

Zhou Z.-Y. ^{[1
]}

Cai J. ^{[1
]}

Hu Y. ^{[1
]}

机构：

[1] School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai

来源：

Gao Xiao Hua Xue Gong Cheng Xue Bao/Journal of Chemical Engineering of Chinese Universities | 2023年 / 37卷 / 02期

关键词：

critical asymmetry; PC-SAFT equation; renormalization group; surface tension; Tolman length;

D O I：

10.3969/j.issn.1003-9015.2023.02.003

中图分类号：

学科分类号：

摘要：

General equations of statistical associating fluid theory (SAFT) combined with global renormalization group theory (GRG) cannot correctly predict critical asymmetry of associating fluids. A method which combined the perturbed-chain-statistical associating fluid theory (PC-SAFT) equation with a revised GRG theory was proposed to describe the critical thermodynamic properties of associating fluids. Surface tension, and curvature-corrections related Tolman length of several one-component associating fluids (n-alkanols, acetic acid and water) were calculated by modifying Hamiltonian of the original GRG theory, and a RG procedure was developed for the derivative of free energy density. The calculated results show that the method of PC-SAFT+GRG can precisely predict critical surface properties of the associating fluids, and the relevant results can be used to improve prediction of nucleation rates of the classical nucleation theory. © 2023 Zhejiang University. All rights reserved.

引用

页码：181 / 186

页数：5

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