Nonrandom lattice fluid group contribution parameter for vapor-liquid equilibrium of esters and their mixtures

Alexander Breitholz, Jong Sung Lim, Jeong Won Kang, Ki Pung Yoo

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

A group contribution version of the nonrandom lattice fluid equation of state (NLF-GC EOS) has been used to predict the vapor-liquid phase equilibria (VLE) of esters and their mixtures. The investigated esters were divided into groups according to the contribution scheme. Two different types of parameters were regressed from experimental datasets. Size parameters were fitted to pure component properties, and the group-group energy interaction parameters were simultaneously fitted to several binary mixture data sets. For systems containing propylene oxide, missing binary VLE data was predicted by using the COSMO-RS method. Parameters obtained by using the COSMO-RS method were later used to successfully predict experimentally measured binary propylene oxide+esters systems. The overall good prediction capability of the NLF-GC EOS could be proven for the investigated systems.

Original languageEnglish
Pages (from-to)230-234
Number of pages5
JournalKorean Journal of Chemical Engineering
Volume26
Issue number1
DOIs
Publication statusPublished - 2009 Jan

Keywords

  • COSMO-RS
  • Esters
  • Group contribution
  • Nonrandom lattice fluid equation of state

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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