Modeling of Vapor-Liquid Equilibrium for Electrolyte Solutions Based on COSMO-RS Interaction

The modeling of phase equilibrium for electrolyte solutions plays an important role in chemical thermodynamics. Modeling and calculation of the vapor-liquid equilibrium (VLE) for an electrolyte solution are studied in this paper. The influence mechanism for the microscopic interaction on the macrosc...

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Published inJournal of chemistry Vol. 2022; pp. 1 - 13
Main Authors Liu, Weiping, Zhao, Chun, Zhou, Yu, Xu, Xianzhen
Format Journal Article
LanguageEnglish
Published New York Hindawi 29.09.2022
John Wiley & Sons, Inc
Wiley
Subjects
Electrolytes
Energy
Hydration
Interaction parameters
Liquid-solid equilibrium
Liquid-vapor equilibrium
Mathematical models
Modelling
Phase equilibria
Thermodynamics
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Summary:The modeling of phase equilibrium for electrolyte solutions plays an important role in chemical thermodynamics. Modeling and calculation of the vapor-liquid equilibrium (VLE) for an electrolyte solution are studied in this paper. The influence mechanism for the microscopic interaction on the macroscopic VLE is further studied by COSMOtherm. Then, a developed model is proposed. The interaction parameters in the model are linked to the COSMO interaction energy (H_int). The interaction equations are remodeled using 1stopt software, and components are used to replace the “interaction parameters” used in a previous model. The developed model can be used to successfully predict VLE data for electrolyte solutions based on the α and hi parameters.
Bibliography:ObjectType-Article-1
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content type line 14
ISSN:2090-9063
2090-9071
DOI:10.1155/2022/9070055