化学
溶解度
溶解
溶剂化
溶剂
氢键
吸热过程
分子
分子间力
二甲基乙酰胺
乙酸乙酯
无机化学
有机化学
吸附
作者
Cunbin Du,Rongrong Li,Li Chen
标识
DOI:10.1016/j.jct.2022.106850
摘要
• The solubility of diacerein in pure and mixed solvents was studied. • The effect of various solvent property parameters on solubility was discussed. • The preferential solvation phenomenon of solute molecules in the dissolution process was analyzed. • The thermodynamic framework of diacerein was evaluated. The purpose of the present work is to improve the solubility of insoluble diacerein with cosolvent. The solubility of diacerein in pure polar aprotic solvent is significantly higher than that in other solvents. In mixtures of ethyl acetate + isopropanol, the solubility of diacerein increases firstly and then decreases with the addition of cosolvent at a certain temperature. However, in N , N -dimethylacetamide (DMAC) + water systems, the solubility and DMAC concentration shows a monotonic increasing trend at a given temperature. Multiple linear regression analysis of various solvent property parameters indicates that hydrogen bonding and the enhancement of solvent polarity are helpful to the dissolution of diacerein. The calculation results of preferential solvation show that diacerein molecules are preferentially solvated by isopropanol and water in isopropanol / water-rich mixtures. In the DMAC-rich region, solute are preferentially solvated by DMAC, while in the ethyl acetate + isopropanol system, with the increase of ethyl acetate concentration, the solute is solvated firstly by cosolvent and then solvated by isopropanol again. The calculation of apparent thermodynamic properties indicates that the dissolution process is an endothermic and entropy driven process.
科研通智能强力驱动
Strongly Powered by AbleSci AI