文献类型：期刊文献

英文题名：A novel kinetic model of complex reaction systems in molecular level: Part 1. Monte Carlo simulation of feedstock

作者：Ouyang, F. -Sh[1];Li, B.[1];Jiang, H. -B.[1];Weng, H. -X.[1];Ma, F. -S.[1]

机构：[1]E China Univ Sci & Technol, Ctr Petr Proc, Shanghai 200237, Peoples R China

年份：2008

卷号：26

期号：15

起止页码：1811

外文期刊名：PETROLEUM SCIENCE AND TECHNOLOGY

收录：;EI(收录号：20084111627710);WOS:【SCI-EXPANDED(收录号:WOS:000259646500006)】；

基金：This work was supported by the National Natural Science Foundation of China (ID No. 20476030).

语种：英文

外文关键词：complex reaction systems; molecular level; Monte Carlo simulation; reaction kinetics

摘要：The kinetics of complex reaction systems were studied in molecular level with the combined method of Monte Carlo simulation and structural oriented lumping by focusing on deep catalytic cracking. A method to transform the plant regular analytical data for a complex feedstock into a set (1,000) of representative molecules was developed. Each molecule was expressed as a vector with 19 attributes. The results of model simulation showed that these 1,000 molecules well reflected the characters of feedstock, and their average properties gave a good agreement with the plant data.