化工学报2012，Vol.63Issue(2)：486-492,7.DOI:10.3969/j.issn.0438-1157.2012.02.021
基于结构导向集总的FCC汽油催化裂解分子尺度动力学模型
Molecular kinetic model for catalytic pyrolysis of FCC gasoline by structure-oriented lumping
孙忠超 1山红红 1刘熠斌 1杨朝合 1李春义1
作者信息
- 1. 中国石油大学重质油国家重点实验室,山东青岛266555
- 折叠
摘要
Abstract
A molecular kinetic model for catalytic pyrolysis process of FCC gasoline in a pulsating reaction-chromatograph equipment was developed by the structure-oriented lumping (SOL) method combined with Monte Carlo (MC) simulation. SOL was applied here to describe the structure of hydrocarbons and establish reaction network. Seven structure vectors were designed to construct the hydrocarbon molecules that existed in gasoline. Ninety-two kinds of hydrocarbons covering most in FCC gasoline were generated as fundamental molecules and 2000 molecules were drawn out as a whole to represent the composition of FCC gasoline from those 92 kinds whose numbers were determined by mole fractions. By integral calculating each molecule reaction probability using the MC method, the product distribution could be obtained. Eleven typical hydrocarbons involved basically in pyrolysis reactions were chosen as model compounds. The rules of their reactions were studied, and a reaction framework was established and reaction rate constants were calculated on the basis of such rules. The results showed that the simulation method of combining SOL and MC for constructing molecular kinetic model was advisable. The simulated product yields fitted well with the experimental results. Relative errors of most product yields were less than 10%. This model also had an ability to predict product yields when prolonging the reaction time.关键词
催化裂解/结构导向集总/分子尺度/模型化合物/动力学模型Key words
catalytic pyrolysis/ structure-oriented lumping/ molecular level/ model compounds/ kinetic model分类
能源科技引用本文复制引用
孙忠超,山红红,刘熠斌,杨朝合,李春义..基于结构导向集总的FCC汽油催化裂解分子尺度动力学模型[J].化工学报,2012,63(2):486-492,7.
