溶解
溶解度
热力学
吉布斯自由能
结晶
溶剂
化学
重量分析
焓
摩尔分数
二氯乙烷
乙酸乙酯
物理化学
有机化学
物理
作者
Qian Jia,Yuxin Liu,Ruoyu Chen,Jia Wang,Yihe Song,Shijie Zhang,Jiaoqiang Zhang
标识
DOI:10.1016/j.molliq.2022.120930
摘要
The solubility of 2HNIW·HMX co-crystal in two binary solvent mixtures (ethanol + methyl acetate, and 1,2-dichloroethane + methyl acetate) was measured by gravimetric method at various temperatures (283.15, 288.15, 293.15, 298.15, 303.15, 308.15, 313.15 and 318.15 K) under atmospheric pressure (0.1 MPa). The experimental results revealed that the solubility for co-crystal in binary solvent mixtures is a simple function of ethanol (or 1,2-dichloroethane) mass fraction and temperature, which decreased with increasing temperature and mass fraction of ethanol (or 1,2-dichloroethane) in the binary solvent mixtures. The solubility of 2HNIW·HMX co-crystal was correlated with the modified Apelblat equation, CNIBS/R-K model, Jouyban-Acree-van't Hoff model, and Jouyban-Acree-Apelblat model. The fitting results demonstrate that the modified Apelblat model and CNIBS/R-K model provided a better correlation with the experimental results than the other models. Furthermore, the van't Hoff equation was used to study the thermodynamic properties of the 2HNIW·HMX co-crystal dissolution process, including the apparent molar enthalpy change (ΔdisH°), the apparent molar entropy change (ΔdisS°), and the apparent molar Gibbs free energy change (ΔdisG°). The results show that the dissolution of the co-crystal in the selected binary solvent mixture is an exothermic process. The experimental and calculated solubility data and thermodynamic properties of the 2HNIW·HMX co-crystal would be helpful for selecting the appropriate solvent system for the reaction, crystallization, and purification of the 2HNIW·HMX co-crystal.
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