Investigation of the solid-liquid ternary phase diagrams of 2HNIW·HMX cocrystal

Qian Jia; Jia Wang; Shijie Zhang; Jiaoqiang Zhang; Ning Liu; Kaichang Kou

doi:10.1039/d1ra00057h

Investigation of the solid-liquid ternary phase diagrams of 2HNIW·HMX cocrystal

RSC Adv. 2021 Mar 4;11(16):9542-9549. doi: 10.1039/d1ra00057h. eCollection 2021 Mar 1.

Authors

Qian Jia¹, Jia Wang¹, Shijie Zhang¹, Jiaoqiang Zhang¹, Ning Liu², Kaichang Kou¹

Affiliations

¹ Shaanxi Key Laboratory of Macromolecular Science and Technology, School of Chemistry and Chemical Engineering, Northwestern Polytechnical University Xi'an Shaanxi 710072 China zhangjq@nwpu.edu.cn koukc@nwpu.edu.cn.
² Xi'an Modern Chemistry Institute Xi'an Shaanxi 710065 China.

Abstract

The influence of temperature and solvent on the solid-liquid ternary phase diagrams of the 2HNIW·HMX cocrystal has been investigated. Ternary phase diagrams were constructed for the 2HNIW·HMX cocrystal in acetonitrile and ethyl acetate at 15 °C and 25 °C. HMX and HNIW showed inconsistent dissolution behavior and congruent dissolution behavior in acetonitrile and ethyl acetate, respectively. In the HMX-HNIW-acetonitrile system, the 2HNIW·HMX cocrystal has a narrow thermodynamically stable region at both temperatures. The cocrystal exhibits a wider thermodynamically stable region in the HMX-HNIW-ethyl acetate system. The results show that the choice of solvent has a crucial influence on the dissolution behavior of the cocrystal and the size and position of each region in the phase diagram, while the temperature has no apparent effect on the overall appearance of the phase diagram. By properly selecting the ratios, the 2HNIW·HMX cocrystal could be prepared by the isothermal slurry conversion crystallization method.