DFT study on effect of CO on the system of acetoxylation of ethylene to vinyl acetate
We report the competitive adsorption of CO, ethylene and acetate on a Pd-Au (100) surface in the reaction system of vinyl acetate synthesis with DFT method.The effect of CO on the catalytic performance of Pd-Au in the vinyl acetate system was also studied.Moreover, the method of reducing the content of CO in the industrial process and the reaction path of CO on the Pd-Au catalyst was investigated.Furthermore, the effect of CO on the acetoxylation of ethylene to vinyl acetate was reflected in two aspects.Firstly, the adsorption of CO on a Pd atom is more stable than that of ethylene, in which the adsorption of ethylene is blocked and the catalytic activity of the Pd-Au alloy decreases.Secondly, the Pd-Au alloy can catalyze the CO oxidation reaction.
Minhua Zhang Meixiang Gao Qian Li Minli Tao Yingzhe Yu
Key Laboratory for Green Chemical Technology of Ministry of Education,Tianjin University R&D Center Department of Chemistry,School of Sciences,Tianjin University,No.92 Weijin Road,Tianjin 300072,P.R.C
国内会议
苏州
英文
611-618
2014-10-26（万方平台首次上网日期，不代表论文的发表时间）