化学动力学中隧道效应的研究 Ⅰ.甲醛单分子热反应中隧道效应的研究

Study on Tunneling Effect in the Chemical Kinetics I. Study on Tunneling in Thermal Unimolecular Reaction of Formaldehyde

本文用不对称Eckart势垒研究了甲醛单分子热解体系.改进了Forst的工作并计算了不同热效应条件下的一系列反应速率常数及相应的活化能,在考虑隧道效应的条件下详细讨论了势垒不对称性对计算结果的影响.计算结果与实验结果一致.

Using one-dimensional unsymmetrical Eckart potential energy barrier, we have studied thermal reaction system of Formaldehyde and improved Forst's work. In addition, a Series of rate constants and activation energies have been calculated at different thermal effects and the effect of unSymmetry of potential barrier on the results of calculations has been discussed in detail. The results of calculations are in agreement with experimental results.