Modeling the solubility of non-steroidal anti-inflammatory drugs (ibuprofen and ketoprofen) in supercritical CO2 using PC-SAFT

被引：19
作者：
Azim, Mahmoud Magdy [1 ]
Ushiki, Ikuo [1 ]
Miyajima, Azusa [1 ]
Takishima, Shigeki [1 ]
机构：
[1] Hiroshima Univ, Grad Sch Adv Sci & Engn, Chem Engn Program, Kagamiyama 1-4-1, Higashihiroshima, Hiroshima 7398527, Japan
来源：
JOURNAL OF SUPERCRITICAL FLUIDS | 2022年 / 186卷
基金：
日本学术振兴会;
关键词：
PC-SAFT (perturbed-chain statistical associating fluid theory); Active pharmaceutical ingredient (API); Non-steroidal anti-inflammatory drug (NSAID); Solubility; Estimation; Supercritical carbon dioxide (scCO(2)); PERTURBED-CHAIN-SAFT; EQUATION-OF-STATE; DIRECTIONAL ATTRACTIVE FORCES; CARBON-DIOXIDE ASSESSMENT; POLAR COMPONENTS; RAPID EXPANSION; PHASE-BEHAVIOR; FLUIDS; PURE; EQUILIBRIUM;
D O I：
10.1016/j.supflu.2022.105626
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A method to estimate the solubilities of two non-steroidal anti-inflammatory drugs (NSAIDs), ibuprofen and ketoprofen, as active pharmaceutical ingredients (APIs) in supercritical CO2 (scCO(2)), was examined using perturbed-chain statistical associating fluid theory (PC-SAFT), which is more predictive than conventional methods that use cubic-type equations of state and semi-empirical correlation models. The values of the three PCSAFT pure-component parameters of the API were adjusted to the solubility in organic solvents and determined. These parameters were then applied to estimate the solubility of the API in scCO(2). The PC-SAFT solubility calculations almost reproduced the experimental values over a wide pressure range, even when kij (the binary interaction parameter) was set to zero. Furthermore, the isobaric solubility of scCO(2) was successfully described by PC-SAFT using the generalized kij.
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页数：9
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