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Solubility and thermodynamic properties of nimodipine in pure and binary solvents at a series of temperatures
The Journal of Chemical Thermodynamics ( IF 2.2 ) Pub Date : 2021-01-01 , DOI: 10.1016/j.jct.2020.106259
Shuai Yu , Wenguo Xing , Fumin Xue , Yan Cheng , Bing Li

Abstract The solubilities of nimodipine in pure solvents (i.e., methanol, ethanol, n-propanol, i-propanol, n-butanol, i-butanol, s-butanol, n-pentanol, i-pentanol, acetone, cyclohexanone, acetonitrile, tetrahydrofuran, ethyl formate, methyl acetate, and ethyl acetate) and binary solvent mixtures (methanol + water) was determined using a gravimetric method over a temperature range from 278.15 K to 318.15 K at atmospheric pressure. The solubility data in the single solvents were fitted by the modified Apelblat equation, λh equation, NRTL equation, and Wilson equation, while the solubility data in binary solvent mixtures were correlated by the CNIBS/R-K equation, modified Jouyban-Acree equation, NRTL equation, and Wilson equation. The relative average deviation (RAD), and root mean square deviation (RMSD) were chosen to evaluate the fitting degree of each model. The dissolution enthalpy, entropy, and Gibbs energy changes of nimodipine were evaluated by the Wilson model. The solubility data, thermodynamic parameters and dissolution properties for nimodipine will provide significant guidance for the optimization of the crystallization process in industry.

中文翻译:

尼莫地平在一系列温度下在纯溶剂和二元溶剂中的溶解度和热力学性质

摘要 尼莫地平在纯溶剂(即甲醇、乙醇、正丙醇、异丙醇、正丁醇、异丁醇、仲丁醇、正戊醇、异戊醇、丙酮、环己酮、乙腈、四氢呋喃)中的溶解度、甲酸乙酯、乙酸甲酯和乙酸乙酯)和二元溶剂混合物(甲醇 + 水)在大气压下使用重量法在 278.15 K 至 318.15 K 的温度范围内测定。单一溶剂中的溶解度数据采用修正的Apelblat方程、λh方程、NRTL方程和Wilson方程拟合,而二元溶剂混合物中的溶解度数据采用CNIBS/RK方程、修正的Jouyban-Acree方程、NRTL方程拟合,和威尔逊方程。相对平均偏差(RAD),和均方根偏差(RMSD)被用来评估每个模型的拟合程度。尼莫地平的溶解焓、熵和吉布斯能变化通过威尔逊模型进行评估。尼莫地平的溶解度数据、热力学参数和溶出特性将为工业中结晶过程的优化提供重要指导。
更新日期:2021-01-01
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