摘要
石油分子重构是目前炼油装置建模的热点。其旨在从分子层面认识石油分子结构与其物理化学性质以及加工特性之间的关系,优化生产工艺,预测石油产品的性质,提高每个分子的价值。笔者针对键电矩阵法、结构导向集总法、结构单元耦合原子拓扑矩阵法、分子同系物矩阵法、伪化合物矩阵法、状态空间表示法6种石油分子的表示方法和随机重构法、最大信息熵法、随机重构-最大信息熵法3种石油分子的构建方法进行了分析讨论,总结了各种方法在不同石油馏分分子重构中的优缺点和适用范围,并结合石油炼制领域的发展现状,提出展望:以当前最先进的石油分子水平表征平台为依托,构建更为全面且准确的石油原料和产品的分子库以及物性库,将是未来石油分子重构技术进一步发展的重要基础。
The molecular reconstruction of petroleum is a hot topic in the modeling of a refining plant.It aims to understand the relationship between the molecular structure of petroleum and its physical and chemical properties as well as the processing characteristics at the molecular level,optimize the production process,predict the properties of petroleum products,and improve the value of each molecule.Here,the key electrical matrix,structure oriented lumped,structure unit,molecular homologue matrix and coupling topology matrix compound matrix,the state space representation of six oil molecular representation methods and random refactoring,maximum information entropy,random reconstruction-maximum information entropy method of three kinds of oil molecular building have been summarized.The advantages and disadvantages of these methods in the molecular reconstruction of different petroleum fractions and their application scope are discussed.Combined with the development status of petroleum refining field,we point out that the construction of comprehensive and accurate molecular and physical property database of petroleum raw materials and products based on the advanced petroleum molecular characterization platform will be an important foundation for the further development of petroleum molecular reconstruction technology.
作者
田旺
秦康
胡元冲
褚小立
李明丰
TIAN Wang;QIN Kang;HU Yuanchong;CHU Xiaoli;LI Mingfeng(Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, China)
出处
《石油学报（石油加工）》
EI
CAS
CSCD
北大核心
2022年第2期449-466,共18页
Acta Petrolei Sinica(Petroleum Processing Section)
基金
中国石油化工股份有限公司科研项目(CLY20113)基金资助。
关键词
石油馏分
分子组成
结构特征
计算机模拟
petroleum fraction
molecular composition
structural characteristics
computer simulation
作者简介
第一作者:田旺,男,博士研究生,从事加氢裂化建模方面的研究,E-mail:492265289@qq.com;通讯联系人:李明丰,男,教授级高级工程师,博士,从事加氢催化剂与工艺研究,E-mail:limf.ripp@sinopec.com。
