摘要
通过对ZSM-5和丝光沸石的吸附热的测量与沸石和吸附质的相互作用能的计算,表明对沸石来说,酸强度不仅与质子的亲和力有关,阳离子骨架与吸附分子的相互作用也是非常重要的.而且可以通过计算沸石骨架与吸附分子相互作用能预测吸附热的变化.从而预测沸石的酸强度.
The heat of absorption for ZSM -5 and the mordenite was measured,and the interaction energy between zeolite and the sorbate was calculated. The results indicated that the acid strength is not only related with the proton affinity, but also interaction between cation framework and absorbed molecule. The acid strength can be predicted by calculating the change of interaction energy of zeolite framework with absorbed molecule.
出处
《吉林化工学院学报》
CAS
2005年第3期1-2,共2页
Journal of Jilin Institute of Chemical Technology
基金
吉林省科技厅杰出青年基金资助项目(2003119).
关键词
模拟
酸强度
吸附热
相互作用能
simulation
acid strength
heat of adsorption
interaction energy
