Molecular dynamic simulations were conducted to study the crystallization process of ZSM-5 zeolite from engineering perspective.The influence of temperature on radial distributions of oxygen of water were calculated

and the results indicated that the formation process of ZSM-5 zeolite might be divided into two stages

precursor formation and nucleation stage at a low temperature and crystal growth stage at a higher temperature.At a higher temperature

homogenous nucleation was suppressed

therefore

the best nucleation temperature was found at around 350 K.ZSM-5 zeolite was synthesized by using two-step procedure in accordance to the simulation results.High uniformity and high crystallinity could be obtained

which verified the simulation results.Interaction energy between template molecule and ZSM-5 zeolite at different temperatures was also calculated by using molecular dynamics.The results showed that when temperature was above 350 K

template molecules would form stronger tie with zeolite surface with increasing temperature

which might lead to intensified crystal growth and surface nucleation.SEM images of surface morphology of ZSM-5 synthesized at different temperatures confirmed this finding.