【摘要】 在文献［１０］的基础上，进一步考虑了同系列烷烃热裂解基元反应动力学参数ｌｏｇＡ与反应活性指标间的关系。预测的Ｅ＿ａ、ｌｏｇＡ与文献〔１４〕数据最大相对误差不超过４％。讨论了本文计算的活性指标与Ｔａｆｔ取代基常数σ￣＊、诱导效应指数Ｉ间的关系。结果表明化学反应速率常数与结构参量间线性关系的存在，是其动力学参数Ｅ＿ａ、ｌｏｇＡ与这些结构参量存在线性关系时的推论。本文所提出的预测方法亦可用于其它机理已知的反应过程，具有广泛的适应性。更多还原

【Abstract】 The relation between kinetics parameter logA of homologous-series elementary reactionsof paraffin pyrolisis and reactivity indices is discussed on the basis of literature. Activationenergy and pre-exponential factor A of main elementary reactions are predicted.The maxi-mum relative error between predicted values and data reported in the literature is lower than4%. Furthermore,the relations between reactivity index Sr presented in this paper and Taftsubstituents constant σ￣*,and induction effect index I are discussed The result indicates thatthe relations of σ￣*～S_r,I～S_r are linear. Further discussion shows that reaction rate constantis a linear function of these structural parameters(S_r,σ￣* and I )only when kinetics para-meters Ea and logA are linearly dependent. Comparison of these structure-reactivity relationsindicates that the method of predicting kinetics parameters presented by the authors can beused in other reaction processes where reaction mechanisms are known. Therefore,the methodis regarded to be of extensive application.更多还原