Prediction of phase equilibria for water+light hydrocarbon systems at high temperatures and pressures by cubic equation of state with information from molecular simulation

Yusuke Shimoyama, Yoshio Iwai, Yasuhiko Arai, Tomoya Tsuji, Toshihiko Hiaki

Research output: Contribution to journalArticle

Abstract

A calculation method which needs no phase equilibrium data is proposed. Binary interaction parameters in an equation of state were determined from the information from molecular simulation. The phase equilibria for water+light alkane systems at high temperatures and pressures were predicted by a cubic equation of state. The predicted results were compared with those by Gibbs ensemble Monte Carlo simulation (GEMC) and were found to be superior.

Original languageEnglish
Pages (from-to)25-30
Number of pages6
Journalkagaku kogaku ronbunshu
Volume32
Issue number1
DOIs
Publication statusPublished - Mar 13 2006

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)

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