β-HMX在二甲基亚砜-醇类二元混合溶剂中的溶解度与热力学性质研究OA
Solubility and Thermodynamic Properties of β-HMX in DMSO-alcohol Binary Solvent Mixtures
为解决奥克托今(β-HMX)在二甲基亚砜(DMSO)-醇类混合溶剂体系中溶解度基础数据匮乏、制约其结晶工艺优化的技术难题,以HMX为研究对象,采用静态法测定了293.15~343.15 K温度范围内,HMX在DMSO-甲醇、DMSO-乙醇、DMSO-正丙醇三种二元混合溶剂中的溶解度数据,并分别采用Apelblat模型、Jouyban-Acree模型、NRTL模型对实验溶解度数据进行关联拟合,同时基于NRTL模型计算分析其溶解热力学性质.结果表明:HMX在三种混合溶剂体系中的溶解度均随体系温度升高、DMSO摩尔浓度增大而显著提升;模型拟合结果显示,Apelblat模型对该体系溶解度数据的拟合效果最优,其平均相对误差(ARD)<5%,均方根误差(RMSD)<0.11%,拟合精度优于另外两种模型;热力学计算结果表明,HMX在三种DMSO-醇类混合溶剂中的溶解过程均表现为吸热过程、熵驱动过程,且可自发进行.
To supplement the scarce basic solubility data of cyclotetramethylene tetranitramine(HMX)in dimethyl sulfoxide(DMSO)-alcohol mixed solvent systems and solve the technical bottleneck restricting the optimization of HMX crystallization process,the solubility of HMX in three binary mixed solvents of DMSO-methanol,DMSO-ethanol and DMSO-n-propanol was measured via the static method within the temperature range of 293.15-343.15 K.The experimental solubility data were correlat-ed and fitted by the Apelblat model,Jouyban-Acree model and NRTL model,and the dissolution thermodynamic properties of HMX were further calculated and analyzed based on the NRTL model.The results show that the solubility of HMX in the three mixed solvent systems increases significantly with the rise of temperature and DMSO mole concentration.The Apelblat model ex-hibits the optimal correlation performance for the solubility data of the systems,with the average relative deviation(ARD)less than 5%and the root-mean-square deviation(RMSD)less than 0.11%,which is superior to the other two models.Thermody-namic analysis indicates that the dissolution process of HMX in all three DMSO-alcohol mixed solvent systems is endothermic,entropy-driven and spontaneous.
何延;吴灏;翟连杰;蔡荣斌;许诚;胡建建;黄俊瑞;赵雪
北京理工大学机电学院,北京 100081西安近代化学研究所,陕西 西安 710065西安近代化学研究所,陕西 西安 710065西安近代化学研究所,陕西 西安 710065西安近代化学研究所,陕西 西安 710065西安近代化学研究所,陕西 西安 710065航宇救生装备有限公司,湖北 襄阳 441002北京理工大学机电学院,北京 100081
军事科技
奥克托今(β-HMX)溶解度活度系数法溶解热力学性质
HMXsolubilityactivity coefficient methoddissolution thermodynamics properties
《含能材料》 2026 (5)
501-512,12
国家自然科学基金(22105155)National Natural Science Foundation of China(No.22105155)
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