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美沙拉嗪在有无共溶剂情况下于超临界二氧化碳中的溶解度及建模

Mesalazine solubility in supercritical carbon dioxide with and without cosolvent and modeling.

作者信息

Sajadian Seyed Ali, Esfandiari Nadia, Rojas Adrián, Hemmati Salar, Jouyban Abolghasem, Aguila Gonzalo, Garlapati Chandrasekhar

机构信息

Department of Chemical Engineering, Faculty of Engineering, University of Kashan, Kashan, 87317-53153, Iran.

Department of Chemical Engineering, Marvdasht Branch, Islamic Azad University, Marvdasht, 73711-13119, Iran.

出版信息

Sci Rep. 2025 Jan 31;15(1):3870. doi: 10.1038/s41598-025-86004-z.

Abstract

In this study, the solubility of mesalazine in supercritical carbon dioxide with and without cosolvent was carried out for the first time at different temperatures and pressure values ranging from 308 to 338 K and 12 to 30 MPa, respectively. The determined experimental molar solubilities of mesalazine in supercritical carbon dioxide were in the range of 4.41 × 10 to 9.97 × 10 (308 K), 3.9 × 10 to 13.1 × 10 (318 K), 3.4 × 10 to 16 × 10 (328 K) and 3.3 × 10 to 18.4 × 10 (338 K). Meanwhile, the determined experimental molar solubilities in supercritical carbon dioxide using 2% dimethyl sulfoxide as cosolvent were in the range of 28.22 × 10 to 36.2 × 10 (308 K), 26.07 × 10 to 51.41 × 10 (318 K), 25.02 × 10 to 69.07 × 10 (328 K) and 25.86 × 10 to 82.6 × 10 (338 K). A novel association model was employed to simulate the solubility data of the binary and ternary systems. Various semiempirical correlations were utilized to calculate the solubility of mesalazine in supercritical carbon dioxide. The new association model was deemed the most superior model, achieving an average absolute relative deviation value of 4.13% without a cosolvent, and 3.36% when a cosolvent was included.

摘要

在本研究中,首次在不同温度(308至338 K)和压力值(分别为12至30 MPa)下,对美沙拉嗪在有无共溶剂的超临界二氧化碳中的溶解度进行了研究。所测定的美沙拉嗪在超临界二氧化碳中的实验摩尔溶解度范围为:(308 K时)4.41×10至9.97×10,(318 K时)3.9×10至13.1×10,(328 K时)3.4×10至16×10,以及(338 K时)3.3×10至18.4×10。同时,使用2%二甲亚砜作为共溶剂时,所测定的美沙拉嗪在超临界二氧化碳中的实验摩尔溶解度范围为:(308 K时)28.22×10至36.2×10,(318 K时)26.07×10至51.41×10,(328 K时)25.02×10至69.07×10,以及(338 K时)25.86×10至82.6×10。采用了一种新型缔合模型来模拟二元和三元体系的溶解度数据。利用各种半经验关联式来计算美沙拉嗪在超临界二氧化碳中的溶解度。新的缔合模型被认为是最优越的模型,在无共溶剂时平均绝对相对偏差值为4.13%,在有共溶剂时为3.36%。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a90/11785961/64ce656edca6/41598_2025_86004_Fig1_HTML.jpg

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