基于详细机理动力学的费-托合成单颗粒催化剂模拟Ⅰ.颗粒模型化与数值计算方法

Modeling of Fischer-Tropsch Catalyst Pellet on Basis of Detailed Mechanism Kinetics Ⅰ. Catalyst Pellet Modeling and Numerical Computing Method

基于详细机理动力学的研究成果 ,讨论了费 托合成单颗粒催化剂在液蜡填充情形下的详细模型化问题 ,建立了针对这一复杂多重反应体系的多组分扩散 反应的等温和非等温颗粒模型 .在此基础上 ,从催化剂设计灵活定位考虑 ,进一步建立了模型方程的有限元正交配置数值计算方法 .

Based on detailed mechanism kinetics, the problem concerning modeling of wax filled Fischer Tropsch catalyst was discussed. In view of complex multiple reaction feature of this system, multi component diffusion reaction models in isothermal and non isothermal cases are constructed for the first time. Furthermore, to locate active layer accurately in catalyst design efforts, the orthogonal collocation on finite elements is adopted as numerical computing method for the resulting pellet model equations.