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催化重整单事件反应动力学模型(Ⅰ)反应网络的建立及单事件数的计算
引用本文:石铭亮,翁惠新,江洪波.催化重整单事件反应动力学模型(Ⅰ)反应网络的建立及单事件数的计算[J].华东理工大学学报(自然科学版),2011,37(4):396-403.
作者姓名:石铭亮  翁惠新  江洪波
作者单位:华东理工大学石油加工研究所,上海,200237
基金项目:国家自然科学基金(20956002); 华东理工大学联合反应工程研究所开放课题基金(SKL-ChE-08C04)
摘    要:以经典的双功能催化重整反应机理为基础,对催化重整单事件反应动力学模型进行了研究。采用布尔邻接矩阵及其主对角元素描述反应物种的分子结构,通过布尔邻接矩阵的操作实现基本反应步骤的数字化,进而构建催化重整反应网络。引入单事件概念将基本反应步骤的反应速率常数分解为单事件数和单事件速率常数,通过将分子中相同的原子标记区分,计算了...

关 键 词:反应网络  单事件  动力学  对称数  催化重整

Single-Event Kinetic Model of Catalytic Reforming(Ⅰ) Reaction Network Construction and Single-Event Number Calculation
SHI Ming-liang,WENG Hui-xin,JIANG Hong-bo.Single-Event Kinetic Model of Catalytic Reforming(Ⅰ) Reaction Network Construction and Single-Event Number Calculation[J].Journal of East China University of Science and Technology,2011,37(4):396-403.
Authors:SHI Ming-liang  WENG Hui-xin  JIANG Hong-bo
Institution:SHI Ming-liang,WENG Hui-xin,JIANG Hong-bo(Research Center of Petroleum Processing,East China University of Science and Technology,Shanghai 200237,China)
Abstract:The single-event micro-kinetic model of catalytic reforming was studied based on the classical bi-functional catalytic reforming mechanism.Boolean relation matrix and its diagonal elements were employed to describe the reaction species,and the elementary reaction steps were represented by the Boolean relation matrix operation.The reaction network of catalytic reforming was then constructed.The rate coefficient of an elementary step was separated into single-event rate coefficients and single-event numbers b...
Keywords:reaction network  single-event  kinetics  symmetry number  catalytic reforming  
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