Solution chemistry and phase solubility diagrams of CL-20/MTNP energetic cocrystals
Solution chemistry and phase solubility diagrams of CL-20/MTNP energetic cocrystals
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DOI：
10.1039/c9ce01724k
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发表时间：
2020-03
期刊：
影响因子：
3.1
通讯作者：
Luyang Tang;Hongzhen Li;Yanwei Tan;Tiansheng Liu;Zongwei Yang
中科院分区：
文献类型：
--
作者：
Luyang Tang;Hongzhen Li;Yanwei Tan;Tiansheng Liu;Zongwei Yang
首先研究了 CL-20/MTNP（2,4,6,8,10,12-六硝基-六氮杂-异武兹烷/1-甲基-3,4,5-三硝基吡唑）含能共晶在有机溶剂中的溶解度行为和溶液化学，以提供一些重要的热力学信息。还测定了三种溶剂的相溶解度图 (PSD) 和共晶点 (Keu1)。此外，利用溶解度积和溶液络合理论解释了 CL-20/MTNP 含能共晶的溶解度行为。溶液络合结果表明，CL-20/MTNP共晶在乙醇中的络合效果最强。在三种研究溶剂中，Keu1 值均低于 1，表明 CL-20/MTNP 共晶的溶解度低于其他两种纯组分。此外，研究 CL-20/MTNP 共晶的溶解度行为和溶液化学为高能共晶的筛选、制备和放大提供了进一步的见解。
The solubility behavior and solution chemistry of CL-20/MTNP (2,4,6,8,10,12-hexanitro-hexaaza-isowurtzitane/1-methyl-3,4,5-trinitropyrazole) energetic cocrystals in organic solvents were first investigated to offer some important information on thermodynamics. The phase solubility diagram (PSD) and eutectic point (Keu1) of three solvents were also determined. Moreover, the solubility behavior of CL-20/MTNP energetic cocrystals was explained using the solubility product and solution complexation theories. The solution complexation results indicated that the CL-20/MTNP cocrystal has the strongest complexation effect in ethanol. The Keu1 values were all below 1 in three studied solvents, suggesting that the CL-20/MTNP cocrystal was less soluble than the other two pure components. Furthermore, studying the solubility behavior and solution chemistry of the CL-20/MTNP cocrystals has provided further insights into the screening, preparation and scaling-up of energetic cocrystals.