Prediction of vapor-liquid equilibria of binary systems containing esters by using Wilson equation with parameters estimated from pure-component properties

Shigetoshi Kobuchi, Kei Takakura, Setsuko Yonezawa, Kenji Fukuchi, Yasuhiko Arai

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

A simple procedure has been proposed to estimate the Wilson parameters from molecular structures and pure-component properties. To evaluate the interaction energies due to attractive force between unlike molecules, the interaction parameters are required. These parameters can be obtained by using the empirical equations developed in this study with normal boiling points and solubility parameters. The procedure has been applied to binary mixtures containing various esters including isomers (ester. +. hydrocarbon and ester. +. alcohol) and it is found that vapor-liquid equilibria of the mixtures can successfully be predicted from pure-component properties alone.

Original languageEnglish
Pages (from-to)114-117
Number of pages4
JournalFluid Phase Equilibria
Volume352
DOIs
Publication statusPublished - Aug 5 2013

Fingerprint

liquid-vapor equilibrium
Phase equilibria
esters
Esters
predictions
Boiling point
Hydrocarbons
Binary mixtures
Isomers
Molecular structure
Alcohols
Solubility
boiling
binary mixtures
Molecules
alcohols
molecular structure
isomers
solubility
hydrocarbons

All Science Journal Classification (ASJC) codes

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

Cite this

Prediction of vapor-liquid equilibria of binary systems containing esters by using Wilson equation with parameters estimated from pure-component properties. / Kobuchi, Shigetoshi; Takakura, Kei; Yonezawa, Setsuko; Fukuchi, Kenji; Arai, Yasuhiko.

In: Fluid Phase Equilibria, Vol. 352, 05.08.2013, p. 114-117.

Research output: Contribution to journalArticle

Kobuchi, Shigetoshi ; Takakura, Kei ; Yonezawa, Setsuko ; Fukuchi, Kenji ; Arai, Yasuhiko. / Prediction of vapor-liquid equilibria of binary systems containing esters by using Wilson equation with parameters estimated from pure-component properties. In: Fluid Phase Equilibria. 2013 ; Vol. 352. pp. 114-117.
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