Measurement and correlation of vapor-liquid equilibria for alkane+alkanol and alkane+alkanediol systems with group contribution COSMOSPACE model

Akihiro Murotomi, Morihisa Yokota, Kenji Fukuchi, Yoshio Iwai

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The infinite dilution activity coefficients were measured for alkanes (hexane, octane and decane) in alkanols (1-decanol, 1-dodecanol and 1-tetradecanol) and alkanes (hexane, octane and decane) in alkanediols (1,2-ethanediol and 1,3-propanediol) systems by a gas stripping method. A group contribution COSMOSPACE (conductor-like screening model surface-pair activity coefficient equation) model was proposed to calculate the activity coefficients of alkane+alkanol and alkane+alkanediol systems. The molecules are divided into three segments based on the electric charges of atoms. Segment OH is OH group. Segment CH2+ is CH2 adjacent to OH. Segment CH2 is the remaining alkyl group except segment CH2+. The Flory-Huggins term of a modified ASOG is used as the combinatorial term. The infinite dilution activity coefficients of 1-alkanols in alkanes, alkanes in 1-alkanols and alkanes in alkanediols are correlated well by using the group contribution COSMOSPACE model. The activity coefficients in finite concentration range for alkane+alkanol systems are also correlated with good accuracy.

Original languageEnglish
Pages (from-to)24-29
Number of pages6
JournalFluid Phase Equilibria
Publication statusPublished - Nov 15 2013


All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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