基于结构导向集总模拟渣油分子组成  

Simulation of the molecular composition of residue based on structure oriented lumping concept

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：《石化技术与应用》2012年第5期387-392,共6页Petrochemical Technology & Application

基　　金：国家重大基础研究(973计划)项目(项目名称:石油资源高效利用的绿色可持续化学--石油资源的分子鉴别和转化规律认识;项目编号:2006 CB 202501)

摘　　要：基于结构导向集总方法,采用22种结构向量描述渣油分子,并结合分子集总性质数据和模拟退火算法,建立了一种模拟渣油分子组成的方法。结果表明,该方法用7 004种分子集总代表渣油分子组成,模拟计算得到渣油的各种平均物理性质与实测值基本吻合,可用于表征真实渣油的性质。Based on the method of structure orien- ted lumping,a method to simulate molecular compo- sition of residue was established by 22 structure vec- tors describing residue molecules and the combina- tion of molecular property lumping data with simula- tion annealing algorithm.The results showed that all the residue molecules were made up of 7 004 kinds of molecular lumps. The simulated values of average physical properties of residue coincided well with measured values, and the results could be used to re- present the real residue.

关 键 词：结构导向集总 结构向量 分子组成模拟 渣油 模拟退火算法 

分 类 号：TE622[石油与天然气工程—油气加工工程]