醇胺类油性剂在金属铝表面上吸附的研究

Studies on the Mechanism of Absorption for Alcohol and Amine on the Surface of Aluminium

用量子化学从头计算方法研究了胺和醇类油性剂在金属铝表面上的吸附机理 .通过对有机物 (CH3 (CH2 ) nOH ,CH3 (CH2 ) nNH2 ,n =5～ 19)在金属表面吸附的计算 ,结果表明随着碳链长度增加有机物在金属表面的吸附能力增强 ,吸附生成热增加 ,醇类化合物在铝表面上的吸附强度大于胺类化合物的吸附强度 。

The mechanism of absorption for achohol and amine on the surface of aluminium was investegated by ab initio method. Based on calculated model of the organic matter(CH 3(CH 2) nOH, CH 3(CH 2) nNH 2, n=5～19)absorbed on the metal surface,the results indicate that the strength of interaction between organic and metal and the formation is greater for the larger chain length, and the absorption interaction between alcohol and Al is greater than the one between amine and Al. These calculated results are in agreement with experimental results.