Prediction of phase equilibria for the mixtures containing polar substances at high temperatures and pressures by group-contribution equation of state

Masashi Haruki, Yoshio Iwai, Yasuhiko Arai

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

A group-contribution equation of state (EOS) based on the hole theory has been developed to predict the phase equilibria of mixtures containing polar substances at high temperatures and pressures. The calculated systems are classified to be six water + hydrocarbon, seven n-alcohol + hydrocarbon, two water + n-alcohol systems and four water + hydrocarbon + hydrocarbon ternary systems. The groups cited are CH2, CH3, ACH, ACCH3, CH2OH, CH3OH and H2O. The characteristic parameters of the solid-state molar volumes and external degree of freedoms required for the prediction have been determined by the critical temperatures and pressures of pure substances. The group interaction energy parameters have been determined by the data of vapor pressures and phase equilibria. The parameters determined by vapor pressure data are checked by predicting the vapor-liquid eqauilibria for benzene + heptane system. The calculated phase equilibria are in good agreement with the literature data. Moreover, the prediction performances have been compared with other group-contribution methods.

Original languageEnglish
Pages (from-to)13-30
Number of pages18
JournalFluid Phase Equilibria
Volume189
Issue number1-2
DOIs
Publication statusPublished - Oct 15 2001

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Hydrocarbons
Equations of state
Phase equilibria
equations of state
hydrocarbons
predictions
Vapor pressure
vapor pressure
Water
alcohols
Alcohols
water
Heptanes
Temperature
performance prediction
critical pressure
Degrees of freedom (mechanics)
Heptane
Ternary systems
heptanes

All Science Journal Classification (ASJC) codes

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

Cite this

Prediction of phase equilibria for the mixtures containing polar substances at high temperatures and pressures by group-contribution equation of state. / Haruki, Masashi; Iwai, Yoshio; Arai, Yasuhiko.

In: Fluid Phase Equilibria, Vol. 189, No. 1-2, 15.10.2001, p. 13-30.

Research output: Contribution to journalArticle

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