文献类型：期刊文献

英文题名：Molecular-Based Simulation of Feedstock Properties for Complex Reaction System

作者：Ouyang Fusheng[1];Bao Wenjun[1];Jiang Hongbo[1];Weng Huixin[1]

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

年份：2010

卷号：12

期号：1

起止页码：54

外文期刊名：CHINA PETROLEUM PROCESSING & PETROCHEMICAL TECHNOLOGY

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000277768500021)】；

语种：英文

外文关键词：complex reaction system; molecular scale; kinetic model; Monte Carlo simulation; deep catalytic cracking

摘要：The kinetics of complex reaction systems were studied on molecular level with the combined method of Monte Carlo simulation and Structural Oriented Lumping by focusing on deep catalytic cracking (DCC) process, the model parameters were optimized by means of routine analytic data of a DCC unit. A model was established to transform the feedstock of the complex reaction systems such as DCC to 1000-10000 pseudo-molecules with the Monte Carlo simulation and every molecule was expressed by 19 attributes. The results of model simulation showed that these pseudo-molecules reflected the characteristics of feedstock very well and their average properties gave a good agreement with the plant data.