Measurement, Correlation and Thermodynamics of Solubility of 2,6-Diamino-3,5-Dinitropyrazine-1-Oxide (LLM-105) in Eight Solvents
Measurement, Correlation and Thermodynamics of Solubility of 2,6-Diamino-3,5-Dinitropyrazine-1-Oxide (LLM-105) in Eight Solvents
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2,6-二氨基-3,5-二硝基吡嗪-1-氧化物 (LLM-105) 在八种溶剂中溶解度的测量、相关性和热力学
DOI：
10.1002/prep.201700123
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发表时间：
2017
期刊：
影响因子：
--
通讯作者：
Li Hongzhen
中科院分区：
文献类型：
--
作者：
Bu Rupeng;Zhou Xiaoqing;Huang Qi;Yu Yanwu;Li Hongzhen
不敏感爆炸物 2,6-二氨基3,5-二硝基吡嗪-1-氧化物 (LLM-105) 在二甲亚砜 (DMSO)、N,N-二甲基甲酰胺 (DMF)、N-甲基-2-吡咯烷酮 (NMP)、N,N-二乙基甲酰胺 (DEF)、1,4-二恶烷、1,4-丁内酯、乙酸乙酯和1-丁基-3-甲基咪唑鎓三氟甲磺酸盐([Bmim]CF3SO3)，在大气压下，在293.15 K至375.15 K的温度范围内采用多热法测定。 LLM-105的溶解度依次降低为DMSO、NMP、DMF、DEF、1,4-丁内酯、[Bmim]CF3SO3、1,4-二恶烷、乙酸乙酯。随着温度升高，LLM-105 在所有溶剂中的溶解度增加。使用修改后的 Apelblat 方程和理想溶液模型将溶解度数据与温度相关联。此外，还利用具有温度依赖性的范特霍夫方程，根据实验溶解度数据计算了LLM-105在每种溶剂中的溶解焓、熵和摩尔吉布斯自由能。结果表明，LLM-105在这些溶剂中的溶解过程是吸热的，其机理是熵驱动。建议将 DMSO 作为 LLM-105 冷却结晶或淹没结晶的合适溶剂。
The solubility of insensitive explosive 2,6-diamino3,5-dinitropyrazine-1-oxide (LLM-105) in dimethyl sulphoxide (DMSO), N,N-dimethylformamide (DMF), N-methyl-2-pyrrolidone (NMP), N,N-diethylformamide (DEF), 1,4-dioxane, 1,4-butyrolactone, ethyl acetate and 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([Bmim]CF3SO3),were measured by a polythermal method in the temperature range of 293.15 K to 375.15 K at the atmospheric.pressure. The solubility of LLM-105 decreased in the order of DMSO, NMP, DMF, DEF, 1,4-butyrolactone, [Bmim]CF3SO3,1,4-dioxane, ethyl acetate. With higher temperature, the solubility of LLM-105 increased in all solvents. The solubility data was correlated against temperature with the modified.Apelblat equation and Ideal solution model. In addition, the dissolution enthalpy, entropy, and mole Gibbs free energy of LLM-105 in each solvent were also calculated from the experimental solubility data by using van’t Hoff equation with the temperature dependence. The results show that the dissolution process of LLM-105 in these solvents is endothermic and the mechanism is the entropy-driving. DMSO is suggested as the appropriate solvent for the cooling crystallization or drowning-out crystallization of LLM-105.