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[Cu(NH3)4](DNANT)2(DNANT=二硝基乙腈)的热解、非等温热分解动力学、比热容和绝热爆炸时间。

Thermolysis, nonisothermal decomposition kinetics, specific heat capacity and adiabatic time-to-explosion of [Cu(NH3)4](DNANT)2 (DNANT= dinitroacetonitrile).

机构信息

School of Chemical Engineering, Northwest University , Xi'an 710069, China.

出版信息

J Phys Chem A. 2014 Feb 20;118(7):1168-74. doi: 10.1021/jp411445h. Epub 2014 Feb 6.

Abstract

A new energetic copper complex of dinitroacetonitrile (DNANT), Cu(NH3)42, was first synthesized through an unexpected reaction. The thermal decomposition of Cu(NH3)42 was studied with DSC and TG/DTG methods. The gas products were analyzed through a TG-FTIR-MS method. The nonisothermal kinetic equation of the exothermic process is dα/dT = 10(10.92)/β4(1 - α)-ln(1 - α) exp(-1.298 × 10(5)/RT). The self-accelerating decomposition temperature and critical temperature of thermal explosion are 217.9 and 221.0 °C. The specific heat capacity of Cu(NH3)42 was determined with a micro-DSC method, and the molar heat capacity is 512.6 J mol(-1) K(-1) at 25 °C. Adiabatic time-to-explosion of Cu(NH3)4(DNANT)2 was also calculated to be about 137 s.

摘要

一种新型的含能二硝戊腈(DNANT)铜配合物Cu(NH3)42 通过一个意外的反应首次被合成。通过 DSC 和 TG/DTG 方法研究了Cu(NH3)42 的热分解。通过 TG-FTIR-MS 方法分析了气体产物。放热过程的非等温热力学方程为 dα/dT = 10(10.92)/β4(1 - α)-ln(1 - α) exp(-1.298 × 10(5)/RT)。自加速分解温度和热爆炸的临界温度分别为 217.9 和 221.0°C。通过微差扫描量热法测定了Cu(NH3)42 的比热容,在 25°C 时摩尔热容为 512.6 J mol(-1) K(-1)。还计算了 Cu(NH3)4(DNANT)2 的绝热爆炸时间约为 137 s。

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