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

Pengbao Lian; Lizhen Chen; Daozhen Huang; Jianxin Xu; Zishuai Xu; Cai Cao; Jiaxiang Zhao; Jianlong Wang

doi:10.1016/j.cjche.2021.07.031

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

Updated：2026-01-06

- Crystallization thermodynamics of 2,4(5)-dinitroimidazole in eleven pure solvents
- Chinese Journal of Chemical Engineering Vol. 48, Issue 8, Pages: 236-243(2022)
- Affiliations：
  
  1. School of Chemical Engineering and Technology, North University of China,Taiyuan,China,030051
  2. Shandong Teneng Environmental Technology Co., Ltd.,Dezhou,China,253000
  3. Gansu Yinguang Chemical Industry Group Co., Ltd.,Baiyin,China,730900
- Author bio：
- Funds：
- DOI：10.1016/j.cjche.2021.07.031
  CLC：
- Published：2022
- Accepted：
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Pengbao Lian, Lizhen Chen, Daozhen Huang, Jianxin Xu, Zishuai Xu, Cai Cao, Jiaxiang Zhao, Jianlong Wang. Crystallization thermodynamics of 2,4(5)-dinitroimidazole in eleven pure solvents[J]. Chinese Journal of Chemical Engineering, 2022, 48(8): 236-243.
DOI：

Pengbao Lian, Lizhen Chen, Daozhen Huang, Jianxin Xu, Zishuai Xu, Cai Cao, Jiaxiang Zhao, Jianlong Wang. Crystallization thermodynamics of 2,4(5)-dinitroimidazole in eleven pure solvents[J]. Chinese Journal of Chemical Engineering, 2022, 48(8): 236-243. DOI： 10.1016/j.cjche.2021.07.031.

摘要

Abstract

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

2-dichloroethane

toluene

water

isopropyl alcohol

ethyl acetate

acetonitrile

methanol

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%.

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