抄録
Vapor-liquid equilibria for supercritical alcohol + fatty acid ester systems were predicted by Soave-Redlich-Kwong (SRK) equation of state with the Wong-Sandler (WS) mixing rules based on an activity coefficient model by Conductor-like Screening Model (COSMO) theory. The predicted systems were methanol + methyl laurate, methanol + methyl myristate, ethanol + ethyl laurate, and ethanol + ethyl myristate systems from 493 to 543 K, near the critical temperatures of methanol (Tc = 512.6 K) and ethanol (Tc = 513.9 K). The excess Gibbs free energies for the mixing rule were determined from the COSMO-Segment Activity Coefficient (COSMO-SAC) model. The universal parameters in COSMO-SAC model were determined by fitting vapor-liquid equilibrium data for alcohol + alkyl acetate systems at low pressures. Predictions for the liquid phase by SRK/WS/COSMO-SAC reproduced the experimental data more accurately than calculations made with SRK/WS/UNIFAC.
| 元の言語 | 英語 |
|---|---|
| ページ（範囲） | 4-9 |
| ページ数 | 6 |
| ジャーナル | Journal of Supercritical Fluids |
| 巻 | 46 |
| 発行部数 | 1 |
| DOI | |
| 出版物ステータス | 出版済み - 8 1 2008 |
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All Science Journal Classification (ASJC) codes
- Chemical Engineering(all)
- Condensed Matter Physics
- Physical and Theoretical Chemistry
これを引用
Prediction of vapor-liquid equilibria for supercritical alcohol + fatty acid ester systems by SRK equation of state with Wong-Sandler mixing rule based on COSMO theory. / Shimoyama, Yusuke; Abeta, Toshio; Iwai, Yoshio.
：: Journal of Supercritical Fluids, 巻 46, 番号 1, 01.08.2008, p. 4-9.研究成果: ジャーナルへの寄稿 › 記事
}
TY - JOUR
T1 - Prediction of vapor-liquid equilibria for supercritical alcohol + fatty acid ester systems by SRK equation of state with Wong-Sandler mixing rule based on COSMO theory
AU - Shimoyama, Yusuke
AU - Abeta, Toshio
AU - Iwai, Yoshio
PY - 2008/8/1
Y1 - 2008/8/1
N2 - Vapor-liquid equilibria for supercritical alcohol + fatty acid ester systems were predicted by Soave-Redlich-Kwong (SRK) equation of state with the Wong-Sandler (WS) mixing rules based on an activity coefficient model by Conductor-like Screening Model (COSMO) theory. The predicted systems were methanol + methyl laurate, methanol + methyl myristate, ethanol + ethyl laurate, and ethanol + ethyl myristate systems from 493 to 543 K, near the critical temperatures of methanol (Tc = 512.6 K) and ethanol (Tc = 513.9 K). The excess Gibbs free energies for the mixing rule were determined from the COSMO-Segment Activity Coefficient (COSMO-SAC) model. The universal parameters in COSMO-SAC model were determined by fitting vapor-liquid equilibrium data for alcohol + alkyl acetate systems at low pressures. Predictions for the liquid phase by SRK/WS/COSMO-SAC reproduced the experimental data more accurately than calculations made with SRK/WS/UNIFAC.
AB - Vapor-liquid equilibria for supercritical alcohol + fatty acid ester systems were predicted by Soave-Redlich-Kwong (SRK) equation of state with the Wong-Sandler (WS) mixing rules based on an activity coefficient model by Conductor-like Screening Model (COSMO) theory. The predicted systems were methanol + methyl laurate, methanol + methyl myristate, ethanol + ethyl laurate, and ethanol + ethyl myristate systems from 493 to 543 K, near the critical temperatures of methanol (Tc = 512.6 K) and ethanol (Tc = 513.9 K). The excess Gibbs free energies for the mixing rule were determined from the COSMO-Segment Activity Coefficient (COSMO-SAC) model. The universal parameters in COSMO-SAC model were determined by fitting vapor-liquid equilibrium data for alcohol + alkyl acetate systems at low pressures. Predictions for the liquid phase by SRK/WS/COSMO-SAC reproduced the experimental data more accurately than calculations made with SRK/WS/UNIFAC.
UR - http://www.scopus.com/inward/record.url?scp=44249111387&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=44249111387&partnerID=8YFLogxK
U2 - 10.1016/j.supflu.2008.02.013
DO - 10.1016/j.supflu.2008.02.013
M3 - Article
AN - SCOPUS:44249111387
VL - 46
SP - 4
EP - 9
JO - Journal of Supercritical Fluids
JF - Journal of Supercritical Fluids
SN - 0896-8446
IS - 1
ER -