节点文献
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
Molecular Reaction Kinetics Simulation for Deep Catalytic Cracking Ⅱ.Establishment of Reaction Kinetics Model
【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。
【Abstract】 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.
【关键词】 催化裂解;
复杂反应体系;
分子尺度;
反应动力学;
MonteCarlo模拟;
【Key words】 catalytic cracking; complex reaction systems; molecular level; reaction kinetics; Monte Carlo simulation;
【Key words】 catalytic cracking; complex reaction systems; molecular level; reaction kinetics; Monte Carlo simulation;
【基金】 国家自然科学基金(20476030)
- 【文献出处】 华东理工大学学报(自然科学版) ,Journal of East China University of Science and Technology(Natural Science Edition) , 编辑部邮箱 ,2008年01期
- 【分类号】TE621;O643.32
- 【被引频次】10
- 【下载频次】533