摘要
对影响总包反应的逆同位素效应的因素进行了分析,它受H_2/D_2吸附的同位素效应及H_(ad)/D__(ad)与CO_(ad)反应的同位素效应的影响.进一步的计算表明,H_2/D_2吸附的差别较小,而反应的控制步骤(Ⅲ),存在逆同位素效应.它使总包反应产生了逆同位素效应.这些结果均与实验结果一致.
The overall H/D isotope effect of methanation was analyzed. Both of the differences of H_2/D_2 adsorption and H_(ad)/D_(ad) reaction with CO_(?) were cakulated by statistical mechanics. It was found that the inverse isotope effect of the RDS dommates the isotope effect of the overail reaction. The calculated results also agreed well with the experimental results.
