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用统计热力学方法和过渡态理论计算了CF3C(O)F解离反应的热力学和动力学函数及其随温度的变化.结果表明,低温下CF3C(O)F不会由解离反应而消耗;高温下自发并有一定的解离速率.另外,计算了重要反应物种的定容摩尔热容并做了多元线性拟合.
The thermodynamic and kinetic functions of the dissociation reaction of CF3C (O) F and its change with temperature were calculated using the statistical thermodynamic method and the transition state theory. The results show that CF3C (O) F can not be consumed by dissociation reaction at low temperature; spontaneous and with some dissociation rate at high temperature. In addition, the volume-specific molar heat capacity of important reactive species was calculated and multivariate linear fitting was performed.