Influence of drying and calcination temperatures for Ce-Cu-Al trimetallic composite catalyst on simultaneous removal H2S and PH3:Experimental and DFT studies

• 作者: Yingwu Wang Qiang Lin Chi Wang Kai Li Xin Sun Xin Song Yangyan Gao Ping Ning
• 来源期刊: 环境科学学报（英文版）
• 年，卷（期）: 2021,（6）
• 页码范围: 277-287
• 页数: 11页
• 语种: 英文

摘要

This work explored the influences of the drying and calcination temperatures on a Ce-Cu-Al trimetallic composite catalyst for the simultaneous removal of H2S and PH3.The effects of both temperatures on the structural features and activity were examined.The density func-tional theory method was used to calculate adsorption energies and further analyze their adsorption behavior on different slabs.Experiments revealed suitable drying and calcination temperatures to be 60 and 500℃,respectively.The capacity reached 323.8 and 288.1 mg/g.Adjusting drying temperature to 60℃is more inclined to form larger and structured grains of CuO.Rising calcinating temperature to 500℃could increase the grain size and redox capacity of CuO to promote performance.Higher temperatures would destroy the surface structure and lead to a crystal phase transformation,which was that the CuO and Al2O3 were gradually recombined into CuAl2O4 with a spinel structure.The exposed crystal planes of surficial CuO and CuAl2O4 were determined according to characterization results.Calcula-tion results showed that,compared with CuO(111),H2S and PH3 have weaker adsorption strength on CuAl2O4(100)which is not conducive to their adsorption and removal.