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

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. (C) 2015 The Chemical Industry and Engineering Society of China, and Chemical Industry Press. All rights reserved.