2,4,6-三硝基-3-溴苯甲醚的热分解特性及机理研究
Study on Thermolysis Characteristics and Mechanism of 2,4,6-Trinitro-3-bromoanisole
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摘要:为研究钝感熔铸炸药2, 4, 6-三硝基-3-溴苯甲醚（TNBA）的热分解特性及其机理，采用一步硝化法制备了TNBA，并采用TG-MS、DSC及TG等方法对其热分解过程、热分解的热力学和动力学参数以及热分解机理进行了研究。结果表明：TNBA的热分解产物为CO(N2)、H2、H2O以及少量的C、CH4、CO2；热分解反应速率常数（k）为0.31 s-1、活化焓（?H≠）为61.83 kJ?mol-1、活化能（Ek）为66.31 kJ?mol-1、活化吉布斯自由能（?G≠）为139.72 kJ?mol-1、活化熵（?S≠）为-144.70 J?mol-1?K-1；热分解动力学模型函数为Ginstling-Brounshtein(G-B)方程，热分解机理为圆柱形对称的三维扩散，动力学方程为 。
Abstract:In order to study the thermal decomposition characteristics and mechanism of insensitive melt cast explosives 2,4,6-trinitro- 3-bromoanisole (TNBA), TNBA was prepared by one-step nitration method. And the thermal decomposition process, thermodynamic and kinetic parameters and thermal decomposition mechanism of TNBA were studied by TG-MS, DSC and TG . The results show the decomposition products of TNBA are CO(N2), H2, H2O and a small amount of C, CH4, CO2; The thermal decomposition reaction rate constant (k) is 0.31s-1, the activation enthalpy (?H≠) is 61.83 kJ?mol-1,the activation energy (EK) is 66.31 kJ?mol-1, the activated Gibbs free energy (?G≠) is 139.72 kJ?mol-1, the activation entropy (?S≠) is -144.70J?mol-1?K-1. The thermal decomposition kinetic model function is G-B equation, the thermal decomposition mechanism is 3-dimensional diffusion with cylindrical symmetry, and the kinetic equation is .
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