重油组成矩阵的分子水平构建及基于结构导向集总的催化裂化反应动力学模型

项目名称： 重油组成矩阵的分子水平构建及基于结构导向集总的催化裂化反应动力学模型

项目编号： No.21476082

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 有机化学

项目作者： 刘纪昌

作者单位： 华东理工大学

项目金额： 80万元

中文摘要： 由于催化裂化重质原料油组成和反应网络的复杂性，当前应用的催化裂化工艺反应动力学模型主要基于馏分集总，急需提高到分子水平，以提高模型的预测精度，并提供产物分子组成方面的信息。本课题拟通过高等分析仪器联用，对催化裂化重质原料油的精细结构进行分析表征，获得详细的烃类组成信息和平均分子结构参数，采用结构导向集总方法，设计包含烃类结构、杂原子结构及重金属结构的结构单元组合，采用多目标优化算法实现催化裂化重质原料油组成分子水平上的矩阵表达。针对催化裂化过程的反应特性，构建基于正碳离子机理的反应网络，设定适合于矩阵运算的反应物选择规则和产物生成规则，结合提升管反应器模型求解，建立基于结构导向集总的催化裂化反应动力学模型，从分子水平上描述催化裂化过程的反应规律，揭示重金属对催化裂化产物分布的影响机制，实现催化裂化工艺过程的分子水平模拟，提高催化裂化装置的智能化水平，适应分子炼油的要求。

中文关键词： 催化裂化；反应动力学；结构导向集总；反应网络；结构单元

英文摘要： Due to the complexity of the compositions and reaction networks for FCC process, the applied reaction kinetic models for FCC process are still at the fraction level. The molecular level kinetic models are in dire need to improve the prediction precision and provide the information on the molecular composition. Through the sophisticated characterization of the heavy oil feed of FCC by advanced analytic instruments, the molecular structural parameters and hydrocarbon composition information can be gained. Based on the Structure-Oriented Lumping(SOL) method,the heavy oil composition can be described using the composition matrix at the molecular level by adding two structural groups Ni and V to the hydrocarbon groups and heteroatom groups using multiobjective optimization. Focus on the reaction principles of FCC, the reaction networks based on the carbonium ion mechanism can be established. The selection rules of reactants and production rules of products suitable for the matrix calculation are set and solved with the riser reactor model. Thus, the SOL kinetic model for FCC, which can describe the reaction characteristics at the molecular level, is built. The SOL model can reflect the effects of the heavy metals on the product distribution of FCC. This project will realize the molecular level simulation of and improve the intelligence of FCC plants. It also satisfies the demands of molecular refinery.

英文关键词： Fluidized Catalytic Cracking;Reaction kinetics;Structure Oriented Lumping;Reaction networks;Structural group