用CA模型研究SO_2在锰盐表面上的催化氧化反应

A CA Study on the Catalytic Oxidation of SO_2 by Manganese Salts

本文用CA模型借助部分模拟法求得SO_2在锰盐表面上催化氧化反应的动力学相图;若反应按Langmuir-Hinshelwood机制进行,且H_2O以气态出现,则模拟结果表明,相图中有四个双组分中毒相和一个反应相,反应相在一个线性的浓度区域上出现;如在催化反应过程中;尚需考虑反应物种的脱附,则反应相将随脱附几率的增加而扩大.

The kinetic phase diagram for the catalytic oxidation of SO2 by manganese salts is determined with the partial simulation method on the basis of the CA model, only the Langmuir - Hinshelwood mechanism is considered and H2O is assumed to be originally in the gas phase, simulation results show that, if no desorption of adsorbed species is considered, the phase diagram has four two - species poisoned phases and one reaction phase which is a linear region! on the other hand, when the desorption of H2O is taken into account, the region of the reaction phase will be extended.