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

研究成果: Contribution to journalArticle査読

抄録

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.

本文言語英語
ページ(範囲)25-30
ページ数6
ジャーナルkagaku kogaku ronbunshu
32
1
DOI
出版ステータス出版済み - 3 13 2006

All Science Journal Classification (ASJC) codes

  • 化学 (全般)
  • 化学工学(全般)

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