Crystallization thermodynamics of 2,4(5)-dinitroimidazole in eleven pure solvents  

作　　者：Pengbao Lian Lizhen Chen Daozhen Huang Jianxin Xu Zishuai Xu Cai Cao Jiaxiang Zhao Jianlong Wang 

机构地区：[1]School of Chemical Engineering and Technology,North University of China,Taiyuan 030051,China [2]Shandong Teneng Environmental Technology Co.,Ltd.,Dezhou 253000,China [3]Gansu Yinguang Chemical Industry Group Co.,Ltd.,Baiyin 730900,China

出　　处：《Chinese Journal of Chemical Engineering》2022年第8期236-243,共8页中国化学工程学报（英文版）

摘　　要：2,4(5)-Dinitroimidazole(2,4(5)-DNI) is an important energetic material, and it is also an important precursor for the preparation of drugs and energetic materials. In this study, the solubility of 2,4(5)-DNI in eleven pure solvents(chlorobenzene, benzene, 1,2-dichloroethane, toluene, water, isopropyl alcohol,ethyl acetate, acetonitrile, methanol, 1,4-dioxane and acetone) were measured by using a dynamic test method from 278.15 K to 323.15 K under 101.1 kPa. Four solubility models were used to fit the experimental data, which were ideal model, modified Apelblat equation, polynomial empirical equation, and λh equation. Meanwhile, the relative average deviation and root-mean-square deviation between the experimental data and the fitted data were also calculated. Furthermore, the three thermodynamic parameters,i.e., dissolution enthalpy, dissolution entropy and Gibbs energy were obtained based on solubility data.Finally, the crude product of 2,4(5)-DNI was crystallized with acetone as solvent, and the purity of the crystalline product was greater than 99.5%.

关 键 词：2 4(5)-Dinitroimidazole Solid-liquid equilibrium Solubility model Three thermodynamic parameters Cooling crystallization 

分 类 号：TQ560.1[化学工程—炸药化工]