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Experimental Solubility Measurements of Fenoprofen in Supercritical Carbon Dioxide
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2020-03-13 , DOI: 10.1021/acs.jced.9b00861 Samyar Zabihi 1 , Yaghoub Rahnama 2 , Amir Sharafi 1 , Fatemeh Borousan 3, 4, 5 , Ali Zeinolabedini Hezave 2, 3, 4 , Saeed Shirazian 6
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2020-03-13 , DOI: 10.1021/acs.jced.9b00861 Samyar Zabihi 1 , Yaghoub Rahnama 2 , Amir Sharafi 1 , Fatemeh Borousan 3, 4, 5 , Ali Zeinolabedini Hezave 2, 3, 4 , Saeed Shirazian 6
Affiliation
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In the current investigation, the solubility of fenoprofen as a nonsteroidal anti-inflammatory drug in supercritical CO2 (SC-CO2) is measured by employing a motorized PVT (pressure–volume–temperature) equilibrium cell. The solubility measurements were carried out in temperatures between 308 and 338 K and pressures between 12 and 40 MPa. The measured data reveals that the solubility of fenoprofen (mole fraction) lies between 2.01 × 10–5 and 4.20 × 10–3, depending on the thermodynamic conditions. Besides the experimental measurement of fenoprofen solubility, thermodynamic modeling of solubility using five different density-based semi-empirical correlations was carried out. The models were considered with only three fitting parameters, namely, Mendez-Santiago and Teja (MST), Bartle et al., Kumar and Johnston (K–J), Chrastil, and Garlapati and Madras models. The results revealed that among the examined models, the Bartle et al. model was the most accurate one with the lowest average absolute relative deviation percent (AARD %) of 6.58% for the studied drug, while the K–J model leads to poor prediction with an AARD % of 9.60%.
中文翻译：
非诺洛芬在超临界二氧化碳中的实验溶解度测量
在当前的研究中，非诺洛芬作为非甾体类抗炎药在超临界CO 2（SC-CO 2）中的溶解度通过使用电动PVT（压力-体积-温度）平衡池进行测量。溶解度测量是在308至338 K之间的温度和12至40 MPa之间的压力下进行的。测量数据显示非诺洛芬（摩尔分数）的溶解度在2.01×10 –5到4.20×10 –3之间，取决于热力学条件。除了实验测定芬诺洛芬的溶解度外，还使用五种不同的基于密度的半经验相关性对溶解度进行了热力学建模。仅考虑了三个拟合参数的模型，即Mendez-Santiago和Teja（MST），Bartle等人，Kumar和Johnston（KJ），Chrastil，Garlapati和Madras模型。结果表明，在检查的模型中，Bartle等人。该模型是最准确的模型，所研究药物的平均绝对相对偏差百分比（AARD％）最低，为6.58％，而K–J模型导致的不良预测是AARD％为9.60％。
更新日期：2020-04-24
中文翻译：
非诺洛芬在超临界二氧化碳中的实验溶解度测量
在当前的研究中，非诺洛芬作为非甾体类抗炎药在超临界CO 2（SC-CO 2）中的溶解度通过使用电动PVT（压力-体积-温度）平衡池进行测量。溶解度测量是在308至338 K之间的温度和12至40 MPa之间的压力下进行的。测量数据显示非诺洛芬（摩尔分数）的溶解度在2.01×10 –5到4.20×10 –3之间，取决于热力学条件。除了实验测定芬诺洛芬的溶解度外，还使用五种不同的基于密度的半经验相关性对溶解度进行了热力学建模。仅考虑了三个拟合参数的模型，即Mendez-Santiago和Teja（MST），Bartle等人，Kumar和Johnston（KJ），Chrastil，Garlapati和Madras模型。结果表明，在检查的模型中，Bartle等人。该模型是最准确的模型，所研究药物的平均绝对相对偏差百分比（AARD％）最低，为6.58％，而K–J模型导致的不良预测是AARD％为9.60％。
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