LSER-based modeling vapor pressures of (solvent + salt) systems by application of Xiang-Tan equation

doi:10.1016/j.cjche.2015.04.014

摘要/Abstract

摘要： The study deals with modeling the vapor pressures of (solvent+salt) systems depending on the linear solvation energy relation (LSER) principles. The LSER-based vapor pressure model clarifies the simultaneous impact of the vapor pressure of a pure solvent estimated by the Xiang-Tan equation, the solubility and solvatochromic parameters of the solvent and the physical properties of the ionic salt. It has been performed independently two structural forms of the generalized solvation model, i.e. the unified solvation model with the integrated properties (USMIP) containing nine physical descriptors and the reduced property-basis solvation model. The vapor pressure data of fourteen (solvent+salt) systems have been processed to analyze statistically the reliability of existing models in terms of a log-ratio objective function. The proposed vapor pressure approaches reproduce the observed performance relatively accurately, yielding the overall design factors of 1.0643 and 1.0702 for the integrated property-basis and reduced property-basis solvation models.

关键词: Vapor pressure, Salt effect, Modeling, LSER, Statistical analysis

Abstract: The study deals with modeling the vapor pressures of (solvent+salt) systems depending on the linear solvation energy relation (LSER) principles. The LSER-based vapor pressure model clarifies the simultaneous impact of the vapor pressure of a pure solvent estimated by the Xiang-Tan equation, the solubility and solvatochromic parameters of the solvent and the physical properties of the ionic salt. It has been performed independently two structural forms of the generalized solvation model, i.e. the unified solvation model with the integrated properties (USMIP) containing nine physical descriptors and the reduced property-basis solvation model. The vapor pressure data of fourteen (solvent+salt) systems have been processed to analyze statistically the reliability of existing models in terms of a log-ratio objective function. The proposed vapor pressure approaches reproduce the observed performance relatively accurately, yielding the overall design factors of 1.0643 and 1.0702 for the integrated property-basis and reduced property-basis solvation models.

Key words: Vapor pressure, Salt effect, Modeling, LSER, Statistical analysis

Aynur Senol. LSER-based modeling vapor pressures of (solvent + salt) systems by application of Xiang-Tan equation[J]. Chinese Journal of Chemical Engineering, 2015, 23(8): 1374-1383.

Aynur Senol. LSER-based modeling vapor pressures of (solvent + salt) systems by application of Xiang-Tan equation[J]. Chin.J.Chem.Eng., 2015, 23(8): 1374-1383.

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