石油分子重构技术的研究进展

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...

Research Progress of Petroleum Molecular Reconstruction Technology

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.