文献类型：期刊文献

英文题名：Microkinetic Analyses of Propane Combustion Over Pt-Ceo2 Catalysts: A Case Study of Pt Size-Dependent Performance

作者：Dong, Jinshi[1]; Huang, Shijun[1]; Li, Shengtong[1]; Chang, Panpan[1]; Lai, Zhuangzhuang[2]; Wang, Haifeng[2]; Chen, Jianfu[2]

机构：[1] Laboratory of New Energy and Environmental Catalysis, School of Biological and Chemical Engineering, Guangxi University of Science and Technology, Guangxi, Liuzhou, 545006, China; [2] State Key Laboratory for Green Chemistry Engineering and Industrial Catalysis, Centre for Computational Chemistry, Research Institute of Industrial Catalysis, East China University of Science and Technology, Shanghai, 200237, China

年份：2024

外文期刊名：SSRN

收录：EI(收录号：20240199754)

语种：英文

外文关键词：Catalysis - Catalysts - Cerium oxide - Combustion - Density functional theory - Emission control - Platinum - Propane

摘要：Pt-based catalysts have attracted widespread attention in VOCs emission control, especially in the catalytic combustion of hydrocarbons. However, elucidating the reaction mechanism for large molecule like C3H8 species is still challenging. Here we figured out the optimal C3H8 oxidation reaction pathway by density functional theory (DFT) calculations and microkinetic analyses, the mechanisms were found different for O2 participating in C3H8 oxidation on Pt species with different sizes. Microkinetics results further revealed that CH2CHOCH3* excessively occupying active sites dramatically limited C3H8 oxidation performance on Pt clusters, while the superior activity on Pt nanoparticles was attributed to rapid desorption of CO*. ? 2024, The Authors. All rights reserved.