TY - JOUR
T1 - Monte carlo simulation of solubilities of naphthalene in supercritical carbon dioxide
AU - Iwai, Yoshio
AU - Koga, Yoshio
AU - Hata, Yoshiaki
AU - Uchida, Hirohisa
AU - Arai, Yasuhiko
N1 - Funding Information:
The authors gratefully acknowledge the financial support provided by the Grant-in-Aid for Scientific Research on Priority Areas (Supercritical Fluid 224, 1993, 05222218), The Ministry of Education, Science and Culture, Japan.
Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.
PY - 1995/3/1
Y1 - 1995/3/1
N2 - 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.
AB - 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.
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U2 - 10.1016/0378-3812(94)02664-M
DO - 10.1016/0378-3812(94)02664-M
M3 - Article
AN - SCOPUS:0029273411
VL - 104
SP - 403
EP - 412
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
SN - 0378-3812
IS - C
ER -