摘要
提出了动力学方程控制表面反应的模拟模型和方法 .该模型从最基本的质量作用定律出发 ,获得表面反应的动力学方程 .而表面反应通过格子模拟反应器进行 .通过表面催化样板反应“CO表面催化氧化”检验了该模拟模型和方法 ,与实验结果吻合 .该模型可在其它复杂的表面催化反应体系中推广应用 .
We introduce a new model about the surface catalytic reaction, namely simulative model and method of dynamics equations controlling surface reaction. In this model, the surface reaction is dominated by dynamics equations that are gained from the law of mass action. The surface reaction is performed in the grid simulation reactor. This simulation model and method are tested by a typical surface catalysis reaction i.e. CO surface-catalytic oxidation. The simulative results are in agreement with those of the experiments. The model is simple and clear because the dynamics equations have no experiential parameter. The model can be generalized to complicated surface-catalytic reactions.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2003年第10期1852-1856,共5页
Chemical Journal of Chinese Universities
基金
山东省自然科学基金 (批准号 :Y2 0 0 2 B0 9)资助