Solvation model for estimating the properties of (vapour plus liquid) equilibrium

Abstract

A solvation energy relation (SERAS) has been developed for correlating the properties and (vapour + liquid) equilibrium (VILE) of associated systems capable of hydrogen bonding or dipole-dipole interaction. The model clarifies the simultaneous impact of hydrogen bonding, solubility and thermodynamic factors of activity coefficients derived from the UNIFAC-original model. The consistency test has been processed against binary VILE data for six isobaric systems of hydrogen bonding (I to III) and dipole-dipole interaction (IV to VI) types, and two isothermal systems of both types (VII and VIII). Systems 11,111, and VIII show negative non-ideal deviations. The reliability analysis has been conducted on the performance of the SERAS model with 5- and 10-parameters. The model matches relatively well with the observed performance, yielding mean error of 9.7% for all the systems and properties considered. (C) 2008 Elsevier Ltd. All rights reserved.