文献类型：期刊文献

英文题名：Simplified Free-Radical Reaction Kinetics for p-Xylene Oxidation to Terephthalic Acid

作者：Sun, Weizhen[1];Pan, Yi[1];Zhao, Ling[1];Zhou, Xinggui[1]

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

年份：2008

卷号：31

期号：10

起止页码：1402

外文期刊名：CHEMICAL ENGINEERING & TECHNOLOGY

收录：;EI(收录号：20085211813585);WOS:【SCI-EXPANDED(收录号:WOS:000260206200003)】；

基金：The financial support by the National High-Tech Research and Development Program of China (863 Program, 2007AA04Z159), Program for Changjiang Scholars and Innovative Research Team in University (IRT0721), and the 111 Project (B08021) is gratefully acknowledgecl. The authors thank Prof. Xuefeng Yan for his helpful discussion.

语种：英文

外文关键词：Catalysis; Kinetics; Liquid-phase oxidation; p-Xylene; Reaction engineering

摘要：The kinetic models based on complex free-radical mechanisms always involve lots of parameters, which result in model overparameterization. In this work, on the basis of free-radical reaction mechanisms, a simplified kinetics for liquid-phase catalytic oxidation of p-xylene (PX) to terephthalic acid (TPA) was developed. By assuming that different peroxy radicals have equivalent reactivity, all the initiation rate constants are identical, and the differences in the rates of termination between various peroxy radicals are neglected, the kinetic model is simplified to include only six parameters that are to be determined by experiment. The kinetic model established in this paper was shown to have satisfactory precision in predicting the concentration profiles. The kinetic model proposed is even simpler than the first-order kinetic model because the rate constants concerning chain propagation and termination are independent of temperature within the range investigated.