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


Senol A.

JOURNAL OF CHEMICAL THERMODYNAMICS, cilt.40, sa.8, ss.1295-1304, 2008 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 40 Sayı: 8
  • Basım Tarihi: 2008
  • Doi Numarası: 10.1016/j.jct.2008.03.010
  • Dergi Adı: JOURNAL OF CHEMICAL THERMODYNAMICS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1295-1304
  • İstanbul Üniversitesi Adresli: Evet

Özet

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.