Solubility of teriflunomide in supercritical carbon dioxide and co-solvent investigation

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2024-11-14 DOI:10.1016/j.fluid.2024.114284

Mahshid Askarizadeh , Nadia Esfandiari , Bizhan Honarvar , Seyed Ali Sajadian , Amin Azdarpour

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Abstract

The solubility of Teriflunomide in supercritical CO₂ at 338, 328, 318, and 308 K temperatures was investigated with and without a Co-solvent. Ethanol was also tested as a Co-solvent. Semi-empirical and empirical methods were used to model the data obtained from the experiments. In both the binary and ternary systems, Teriflunomide's solubility values ranged from 0.54 × 10^-4 to 0.64 × 10^-3 and 0.705 × 10^-3 to 2.78 × 10^-3, respectively. The solubility was additionally examined using the PR-EoS along with the vdW2 mixing rule for both systems. Teriflunomide's solubility was considerably enhanced by the addition of ethanol, according to the findings. The highest solubility of Teriflunomide was observed in the Teriflunomide -Ethanol- CO₂ system at 338 K and 12 MPa, which was about 13.99 times greater than its solubility in supercritical carbon dioxide alone under the same conditions. The best correlation with AARD% and AIC_c for binary and ternary methods, respectively, was demonstrated by the models put out by Jouyban et al. and the Sodeifian-Sajadian models.

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特立氟胺在超临界二氧化碳中的溶解度及助溶剂研究

在 338、328、318 和 308 K 温度下，研究了特立氟胺在超临界二氧化碳中的溶解度，包括使用和不使用助溶剂。乙醇也作为助溶剂进行了测试。半经验和经验方法被用来模拟实验中获得的数据。在二元和三元体系中，特立氟胺的溶解度值分别为 0.54 × 10-4 至 0.64 × 10-3 和 0.705 × 10-3 至 2.78 × 10-3。此外，还使用 PR-EoS 和 vdW2 混合规则对这两种体系的溶解度进行了检测。研究结果表明，乙醇的加入大大提高了特立氟胺的溶解度。在 338 K 和 12 MPa 条件下，特立氟胺在特立氟胺-乙醇-二氧化碳体系中的溶解度最高，是其在相同条件下单独在超临界二氧化碳中溶解度的 13.99 倍。Jouyban 等人提出的模型和 Sodeifian-Sajadian 模型分别证明了二元和三元方法与 AARD% 和 AICc 的最佳相关性。

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来源期刊

Fluid Phase Equilibria 工程技术-工程：化工

CiteScore

5.30

自引率

15.40%

发文量

223

审稿时长

53 days

期刊介绍： Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results. Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.