The performance of UNIFAC and related group contribution models .1. Prediction of infinite dilution activity coefficients

Paksoy H., Ornektekin S., Balcl B., Demirel Y.

THERMOCHIMICA ACTA, vol.287, no.2, pp.235-249, 1996 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 287 Issue: 2
  • Publication Date: 1996
  • Doi Number: 10.1016/s0040-6031(96)02958-9
  • Journal Name: THERMOCHIMICA ACTA
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.235-249
  • Keywords: activity coefficient, infinite dilution, UNIFAC, UNIFAC-FV, POLYMER-SOLUTIONS, SOLVENT ACTIVITIES, LIQUID-EQUILIBRIUM, PHASE-EQUILIBRIA, WATER
  • Çukurova University Affiliated: Yes

Abstract

Infinite dilution activity coefficients have been calculated for 24 systems including highly non-ideal and nearly non-ideal using original, modified UNIFAC and UNIFAC-FV models. The calculations are compared with experimental results. The performance of the models in predictions and the significance of free volume effects on solvent activities in solutions containing small compounds are discussed.