基于结构导向集总的延迟焦化分子尺度动力学模型  

Building a Kinetic Model of Delayed Coking With Structure Oriented Lumping

作　　者：田立达[1] 沈本贤[1] 刘纪昌[1] 

机构地区：[1]华东理工大学化学工程联合国家重点实验室,上海200237

出　　处：《石油学报（石油加工）》2012年第6期957-966,共10页Acta Petrolei Sinica(Petroleum Processing Section)

基　　金：国家重大基础研究"973"计划项目(2006CB 202501)资助

摘　　要：借助于结构导向集总方法,建立了延迟焦化过程的分子动力学模型。该模型用7004种分子集总来代表原料渣油的分子组成,用92条反应规则来模拟延迟焦化反应行为,实现了对延迟焦化产物分布的预测。经小试试验验证,该模型的预测精度较高。With the help of the concept of structure oriented lumping method, a kinetic model of delayed coking has been built. The proposed model achieved the prediction of product distribution from delayed coking by describing the molecular composition of residue material with 7004 kinds of molecular lumps and simulating the reaction behaviors with 92 kinds of reaction rules. The calculation result by proposed model was found to have enough precision compared with the experimental result obtained from a small scale unit.

关 键 词：结构导向集总 延迟焦化 动力学模型 

分 类 号：TE624.32[石油与天然气工程—油气加工工程]