化工进展2012，Vol.31Issue(12)：2678-2685,8.
分子水平动力学模型在催化裂化反应中的应用
Application of molecular level kinetic modeling to catalytic cracking reaction
摘要
Abstract
Catalytic cracking reaction is an important secondary processing of crude oil,involving hundreds of species and chemical reactions.It is a typical complex reaction system,and construction of these complex reaction kinetic models at the molecular level is one of the important kinetic model research fields.Development of molecular level kinetic models has important theoretical and practical significance for understanding cracking reactions and process development.Recent development in molecular level kinetic models at home and abroad is reviewed in this paper,and the characteristics of single event kinetic model,structural oriented lumping,KMT,entropy approximation factor model and structural model,and their scope of use as well as pros and cons are summarized.Developing a more detailed molecular level kinetic model to predict the yield of key components,composition and properties of products would be the main direction of future research.关键词
分子水平/动力学模型/催化裂化/反应机理Key words
molecular scale/kinetic models/catalytic cracking/reaction mechanism分类
能源科技引用本文复制引用
张旭,郭锦标,周祥,王鑫磊,葛彩霞,于博..分子水平动力学模型在催化裂化反应中的应用[J].化工进展,2012,31(12):2678-2685,8.基金项目
国家973计划项目 （）
