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 language | English |
|---|---|
| Pages (from-to) | 403-412 |
| Number of pages | 10 |
| Journal | Fluid Phase Equilibria |
| Volume | 104 |
| Issue number | C |
| DOIs | |
| Publication status | Published - Mar 1 1995 |
Fingerprint
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 journal › Article
}
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
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.
UR - http://www.scopus.com/inward/record.url?scp=0029273411&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0029273411&partnerID=8YFLogxK
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 -