Solubility and Thermodynamic Modeling of 3⁃Nitro⁃1,2,4⁃triazole⁃5⁃one(NTO)in Different Binary Solvents  

3-硝基-1,2,4-三唑-5-酮(NTO)在不同二元溶剂中的溶解度和热力学模型

作　　者：GUO Hao-qi YANG Yu-lin 郭昊琪;杨玉林(哈尔滨工业大学化学与化工学院空间电源国家重点实验室,黑龙江哈尔滨150001)

机构地区：[1]State Key Laboratory of Space Power‑Sources,School of Chemistry and Chemical Engineering,Harbin Institute of Technology,Harbin150001,China

出　　处：《含能材料》2025年第3期295-303,共9页Chinese Journal of Energetic Materials

摘　　要：Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging from 278.15 K to 318.15 K.The solubility in each system was found to be positively correlated with temperature.Furthermore,solubility data were analyzed using four equations:the modified Apelblat equation,Van’t Hoff equation,λh equation and CNIBS/R-K equations,and they provided satisfactory results for both two systems.The average root-mean-square deviation(105RMSD)values for these models were less than 13.93.Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems,including values for Gibbs free energy,enthalpy and entropy.The%ζ_(H)is larger than%ζ_(TS),and all the%ζ_(H)data are≥58.63%,indicating that the enthalpy make a greater contribution than entropy to theΔG_(soln)^(Θ).在278.15K~318.15K的温度范围内,利用动态激光监测法测定了3-硝基-1,2,4-三唑-5-酮(NTO)在硝酸羟胺(HAN)-水和硼酸(HB)-水两种不同二元体系中的溶解度。实验数据表明,NTO在二元溶剂混合物中的溶解度与温度呈正相关。此外,用修正的Apelblat方程、Van't-Hoff方程、λh方程和CNIBS/R-K方程对溶解度数据进行了拟合,所有模型在二元溶剂中都取得了令人满意的结果。本文计算的均方根偏差的平均值(10~5RMSD)均小于13.93。最后,用Van't-Hoff和Gibbs方程计算了表观热力学性质,即吉布斯能、焓和熵。本文计算的%ζ_(H)大于%ζ_(TS),且%ζ_(H)均≥58.63%,表明焓对吉布斯能的贡献大于熵。

关 键 词：3-nitro-l 2 4-triazole-5-one(NTO) SOLUBILITY thermodynamic models apparent thermodynamic analysis 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O64[理学—物理化学]