Monte carlo simulation of solubilities of naphthalene in supercritical carbon dioxide

Yoshio Iwai, Yoshio Koga, Yoshiaki Hata, Hirohisa Uchida, Yasuhiko Arai

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

The test particle method proposed by Widom was applied to calculate the solubilities of naphthalene in supercritical carbon dioxide at 308.15 and 328.15 K. The Lennard-Jones (12-6) potential was used as the intermolecular potential. The solubilities of naphthalene in supercritical carbon dioxide have been calculated quantitatively by introducing two binary interaction parameters k12 and l12 between unlike molecules. The binary interaction parameter K12 is used to calculate the energy parameter ε12, while l12 is used to calculate the size parameter σ12. The calculated results by the Monte Carlo simulation show in good agreement with the experimental data.

Original languageEnglish
Pages (from-to)403-412
Number of pages10
JournalFluid Phase Equilibria
Volume104
Issue numberC
DOIs
Publication statusPublished - Mar 1 1995

Fingerprint

Naphthalene
naphthalene
Carbon Dioxide
carbon dioxide
Carbon dioxide
solubility
Solubility
simulation
Molecules
interactions
Monte Carlo simulation
molecules
energy

All Science Journal Classification (ASJC) codes

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

Cite this

Monte carlo simulation of solubilities of naphthalene in supercritical carbon dioxide. / Iwai, Yoshio; Koga, Yoshio; Hata, Yoshiaki; Uchida, Hirohisa; Arai, Yasuhiko.

In: Fluid Phase Equilibria, Vol. 104, No. C, 01.03.1995, p. 403-412.

Research output: Contribution to journalArticle

Iwai, Yoshio ; Koga, Yoshio ; Hata, Yoshiaki ; Uchida, Hirohisa ; Arai, Yasuhiko. / Monte carlo simulation of solubilities of naphthalene in supercritical carbon dioxide. In: Fluid Phase Equilibria. 1995 ; Vol. 104, No. C. pp. 403-412.
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