摘要
在考虑了沸石分子筛中吸附、脱附、扩散和反应的特点的基础上，发展了一种模拟沸石分子筛中扩散反应的ＭｏｎｔｅＣａｒｌｏ方法。用Ｌａｎｇｍｕｉｒ吸附等温式验证了该方法的合理性，并证明了轰击频率λ代表了反应物气相压力，而吸附、脱附几率之比即为吸附平衡常数。同时，通过改变轰击频率λ和反应几率Ｐ＿ｒ，得到了吸附等温线和有效因子随Ｔｈｉｅｌｅ模数变化的曲线。
Taking into account the characteristics of zeolites, a Monte Carlo model whichaccounts for the elementary processes of adsorption , desorption, diffusion and reaction in ze-olites has been developed. The reliability of the model was tested by Langmuir isotherms,and it was demonstrated that the collision frequency represents the gaseous pressure and theratio of adsorption and desorption probabilities is the equilibrium adsorption constant. Mean-while, the isotherm and η-Φcurve were also obtained by changing the collision frequercy λand reaction probability P_r.
出处
《燃料化学学报》
EI
CAS
CSCD
北大核心
1994年第4期355-361,共7页
Journal of Fuel Chemistry and Technology
基金
国家自然科学基金
