CL-20/MTNP共晶在甲醇溶液中的热力学研究

Study on the thermodynamics for CL-20/MTNP cocrystal in methanol solution

在65℃恒温条件下,将2,4,6,8,10,12-六硝基六氮杂异戊兹烷(CL-20)与1-甲基-3,4,5-三硝基吡唑(MTNP)按照摩尔比1∶1混合后加入有机溶剂,采用降温结晶法制得CL-20/MTNP共晶。利用高效液相色谱仪测定了CL-20/MTNP共晶及其单组分在甲醇中的溶解度,同时测得308.15K条件下CL-20在不同含量MTNP甲醇溶液中的浓度,通过计算得到308.15K条件下CL-20/MTNP共晶在甲醇溶液中的溶度积常数及溶液络合常数,绘制了CL-20/MTNP共晶在甲醇溶液中的相溶解度图,为共晶的筛选、制备和放大等研究提供了参考。

The 2,4,6,8,10,12-hexanitrohexaazaisopentane(CL-20)/1-methyl-3,4,5-trinitropyrazole(MTNP)cocrystal was prepared by mixing CL-20 and MTNP solids at the molar ratio of 1∶1 into organic solvent under the constant temperature of 65℃,or namely cooling crystallization method.The solubility of CL-20/MTNP cocrystal and its components in methanol were determined via high performance liquid chromatography analysis.Meanwhile,the concentrations of CL-20 at the presence of various amount of MTNP in methanol at 308.15 Kwere also determined.The solubility product constant and the complexation constant of CL-20/MTNP cocrystal in methanol at 308.15 K was acquired by calculations,which can be used to depict the phase solubility diagram.The further insights into the screening,preparation and scaling-up of energetic cocrystals were provided.