文献类型：期刊文献

英文题名：Experimental Study and Modeling of Homogenous Catalytic Oxidation of m-Xylene to Isophthalic Acid

作者：Sun, Weizhen[1];Sun, Jianhai[1];Xu, Zhimei[1];Zhao, Ling[1]

机构：[1]E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China

年份：2015

卷号：54

期号：13

起止页码：3293

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20151600751994);WOS:【SCI-EXPANDED(收录号:WOS:000352751900006)】；

基金：Financial support by the Scientific Research Foundation for the Returned Overseas Chinese Scholars, the Fundamental Research Funds for the Central Universities (222201313006), the National Natural Science Foundation of China (61333010), and the 111 Project (B08021) is gratefully acknowledged.

语种：英文

外文关键词：Catalytic oxidation - Cobalt compounds - Reaction intermediates - Xylene - Bromine compounds - Chains - Free radicals - Kinetic theory - Manganese compounds - Kinetic parameters

摘要：The homogeneous oxidation of m-xylene (MX) to isophthalic acid (IPA) with acetic acid as solvent catalyzed by Co-Mn-Br catalyst was investigated at temperatures from 448.2 to 466.2 K by semicontinuous and continuous experiments. Based on the free radical chain reaction mechanism of hydrocarbon, one simplified kinetic model of MX oxidation with six parameters was developed involving MX, IPA, and important intermediates. The kinetic model fitted experimental data well, in which there was only one adjustable parameter, i.e., chain initiation rate constant corresponding to various temperatures, while other parameters were kept constant. It was found that the oxidation rate constants concerning the methyl on the benzene ring of MX was well consistent with the predictions by the Hammett structure-reactivity relationship. Through reasonable assumptions, the well-mixed reactor model of MX oxidation was further developed, by which successful predictions of the continuous MX oxidation process under different operating conditions were performed. Hopefully the kinetic experiments and related models may bring fundamental data and some valuable insights to industrial MX oxidation.