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法匹拉韦(作为一种抗新冠病毒药物)在超临界二氧化碳中的溶解度:实验分析与热力学建模

Solubility of favipiravir (as an anti-COVID-19) in supercritical carbon dioxide: An experimental analysis and thermodynamic modeling.

作者信息

Sajadian Seyed Ali, Ardestani Nedasadat Saadati, Esfandiari Nadia, Askarizadeh Mahshid, Jouyban Abolghasem

机构信息

South Zagros Oil and Gas Production, National Iranian Oil Company, 7135717991 Shiraz, Iran.

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

出版信息

J Supercrit Fluids. 2022 Apr;183:105539. doi: 10.1016/j.supflu.2022.105539. Epub 2022 Feb 4.

Abstract

Favipiravir is one of the most commonly prescribed drugs in the treatment of COVID-19 in the early stages of the disease. In this work, the solubility of favipiravir was measured in supercritical CO at temperatures ranging from 308 to 338 K and pressures ranging from 12 to 30 MPa. The mole fraction solubility of favipiravir was in the range of 3.0 × 10 to 9.05 × 10. The solubility data were correlated with three types of methods including; (a) density-based models (Chrastil, Garlapati and Madras, Sparks et al., Sodeifian et al., K-J and Keshmiri et al.), (b) Equations of states SRK with quadratic mixing rules) and (c) expanded liquid theory (modified Wilson model). According to the results, modified Wilson and K-J models are generally capable of providing good correlation of solubility. Finally, the approximate values of total ( ), vaporization ( ), and solvation ( ) enthalpies were computed.

摘要

法匹拉韦是疾病早期治疗新冠肺炎时最常用的处方药之一。在本研究中,测定了法匹拉韦在308至338K温度范围和12至30MPa压力范围内的超临界CO₂中的溶解度。法匹拉韦的摩尔分数溶解度在3.0×10⁻⁵至9.05×10⁻⁵范围内。溶解度数据采用三种方法进行关联,包括:(a)基于密度的模型(Chrastil模型、Garlapati和Madras模型、Sparks等人的模型、Sodeifian等人的模型、K-J模型和Keshmiri等人的模型),(b)带有二次混合规则的状态方程SRK模型,以及(c)扩展液体理论(修正的Wilson模型)。根据结果,修正的Wilson模型和K-J模型通常能够很好地关联溶解度。最后,计算了总焓(ΔHtotal)、汽化焓(ΔHvap)和溶剂化焓(ΔHsolv)的近似值。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/db34/8815272/4bcca4de0977/ga1_lrg.jpg

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