文献类型：期刊文献

中文题名：催化裂解过程分子尺度的反应动力学模拟 Ⅱ.反应动力学模型的建立

英文题名：Molecular Reaction Kinetics Simulation for Deep Catalytic Cracking Ⅱ.Establishment of Reaction Kinetics Model

作者：欧阳福生[1];王胜[1];翁惠新[1]

机构：[1]华东理工大学石油加工研究所,上海200237

年份：2008

卷号：34

期号：1

起止页码：29

中文期刊名：华东理工大学学报（自然科学版）

外文期刊名：Journal of East China University of Science and Technology

收录：CSTPCD;;Scopus;北大核心:【北大核心2004】；CSCD:【CSCD2011_2012】；

基金：国家自然科学基金(20476030)

语种：中文

中文关键词：催化裂解;复杂反应体系;分子尺度;反应动力学;Monte;Carlo模拟

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

摘要：在深入研究催化裂解反应机理的基础上,采用结构导向集总方法制定各分子的反应规则,并结合Monte Carlo方法建立了分子尺度的催化裂解反应动力学模型。两种工况条件下的模拟结果表明:产品产率和汽油性质与实际值能较好地拟合,模型具有较好的适应性和外推性。
Based on the reaction mechanism of deep catalytic cracking （DCC）, reaction rules for all sorts of hydrocarbon molecules were established according to structural oriented lumping method. A molecular kinetics model for DCC was established by means of Monte Carlo simulation combined with structural oriented lumping. The results show that the simulation data for product yields and gasoline properties are in good agreement with the plant data in the conditions of two operating states and the model has good prediction and extrapolation performance.