文献类型：期刊文献

英文题名：Building a Kinetic Model for Steam Cracking by the Method of Structure-Oriented Lumping

作者：Tian, Lida[1];Wang, Jiming[1];Shen, Benxian[1];Liu, Jichang[1]

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

年份：2010

卷号：24

期号：8

起止页码：4380

外文期刊名：ENERGY & FUELS

收录：;EI(收录号：20103413186850);WOS:【SCI-EXPANDED(收录号:WOS:000281029700034)】；

语种：英文

外文关键词：Kinetic theory - Ethylene - Rate constants - Runge Kutta methods - Cracks - Differential equations - Ethylene glycol - Kinetic parameters

摘要：A kinetic model for steam cracking has been developed by representing feedstock molecules and constructing reaction networks with the structure-oriented lumping method, calculating the reaction rate constant with Materials Studio software, and solving kinetic differential equations with a fourth-fifth-order Runge-Kutta algorithm. A total of 7 structure vectors and 74 reaction rules have been designed to describe molecular composition and their reactions. The model can predict product distribution of different light-oil steam-cracking processes at various operating conditions. Simulation results indicated that predicted data agreed well with the experimental results. Relative errors of ethylene and propylene were not more than 8%.