分子水平动力学模型在催化裂化反应中的应用

催化裂化反应作为一个重要的原油二次加工过程，反应中存在成百上千的物质和化学反应，是一个典型的复杂反应体系，建立这些复杂反应的分子水平动力学模型是动力学研究的重点之一。开发分子水平动力学模型对认识催化裂化反应和工艺开发具有重要的理论和现实意义。本文详细地介绍了近年来国内外催化裂化反应分子水平动力学模型具有代表性的研究成果，对比了单事件模型、结构导向型集总、KMT、熵近似因子模型以及结构化模型等动力学模型的特点、使用范围及优缺点。指出建立更为细致的分子水平动力学模型来预测关键组分的收率、产物的组成和性质将是催化裂化动力学模型研究领域以后发展的主要方向。

Application of molecular level kinetic modeling to catalytic cracking reaction

Catalytic cracking reaction is an important secondary processing of crude oil, involving hundreds of species and chemical reactions. It is a typical complex reaction system, and construction of these complex reaction kinetic models at the molecular level is one of the important kinetic model research fields. Development of molecular level kinetic models has important theoretical and practical significance for understanding cracking reactions and process development. Recent development in molecular level kinetic models at home and abroad is reviewed in this paper, and the characteristics of single event kinetic model, structural oriented lumping, KMT, entropy approximation factor model and structural model, and their scope of use as well as pros and cons are summarized. Developing a more detailed molecular level kinetic model to predict the yield of key components, composition and properties of products would be the main direction of future research.