本文用pauling规则算得Al_2O_3、TiO_2表面酸点、碱点电荷q,用键参数q/rk来描述两种催化剂的活性中心——L—酸碱对的酸碱性质,以此来说明两者反应机理上的差别。引入作用强度S(表示反应物与催化剂酸点与碱点之间的相互作用)解释催化剂的活性,又结合醇分子的构象来说明产物烯中高顺/反比值的原因。 In this paper, we calculated the acid sites and the charge q of Al 2 O 3 and TiO 2 on the surface of Al 2 O 3 and TiO 2 using the pauling rule. The key parameter q / rk is used to describe the acid-base properties of L-acid and base pairs, which are the active sites of both catalysts. Differences in mechanism. The introduction of the action strength S (indicating the interaction between the reactant and the catalyst acid site and the base site) explains the activity of the catalyst and the conformation of the alcohol molecule to account for the high cis / trans ratio of the product olefin.