The variation of heat of formation and O-H bond lengths with the adsorption distance have been calculated . The results show that there are two active adsorption site on the model zeolite.
通过模拟计算确定了两个低能吸附位点及相应的吸附热，结果与实验值非常接近。
2
The adsorption forces on the surface of acidified alkaline residue are mainly dipole bond force and hydrogen bond force. The adsorption process can be simulated by the first order kinetic equation.