화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Korean Journal of Chemical Engineering, Vol.26, No.1, 230-234, January, 2009
DOI10.1007/s11814-009-0038-5  Export Citation
Nonrandom lattice fluid group contribution parameter for vapor-liquid equilibrium of esters and their mixtures
Alexander Breitholz, Jong Sung Lim, Jeong Won Kang1, and Ki-Pung Yoo†
  • Department of Chemical and Biomolecular Engineering, Sogang University, Sinsu-dong, Mapo-gu Seoul 121-742, Korea
  • 1Department of Chemical and Biological Engineering, Korea University, 5-ga Anam-dong, Sungbuk-gu Seoul 136-701, Korea
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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.
Keywords:COSMO-RS;Esters;Group Contribution;Nonrandom Lattice Fluid Equation of State
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