Solvation model for estimating the properties of (vapour plus liquid) equilibrium
JOURNAL OF CHEMICAL THERMODYNAMICS, vol.40, no.8, pp.1295-1304, 2008 (SCI-Expanded)
- Publication Type: Article / Article
- Volume: 40 Issue: 8
- Publication Date: 2008
- Doi Number: 10.1016/j.jct.2008.03.010
- Journal Name: JOURNAL OF CHEMICAL THERMODYNAMICS
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.1295-1304
- Istanbul University Affiliated: Yes
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.