The equilibrium of the watergasshiftreaction in slit pores has been simulated by the Reactive Canonical Monte Carlo (RCMC) method.
采用反应蒙特卡罗(RCMC)方法模拟了狭缝孔内水煤气变换反应的化学平衡。
2
The simulation results suggest that Cu is more acitve than other metals and watergasshiftreaction is a structure sensitive reaction.
在此基础上,对该反应的结构敏感性进行了研究,发现该反应为一结构敏感反应,与实验结果相符。
3
TPD MSand TPSR MS results indicate that COcan suppress the adsorption of CO2 on the sites, which bring about the reverse watergasshiftreaction and hence promote the selectivity of methanol.