Molecular Dynamics Simulation of Adsorption and Kinetic Analysis in Nanopore
Molecular dynamics simulations have been employed to explore the adsorption and des-orption process of the gas in nanopore,and their dynamic properties have been analyzed.It is shown that there are two adsorption mechanisms in nanopore:one is the liquid bridging which occurs when the adsorption layer on the opposite wall is close to each other;The other is the meniscus advance due to capillary condensation.As the pressure ratio increases,the bridging effect of the liquid was observed,and the instability of the liquid film surface led to the growth and shrinkage of liquid bridge.At the higher pressure ratios,a stable liquid bridge is formed near the entrance of the nanopore,formation and collapse of nanobubble were observed in nanopore.The rapid adsorption and condensation of the nanobubble leads to a secondary bridging of the liquid,which is repeated continuously until the bubble collapses.In addition,it was observed that the desorption process is governed by the combination of cavity cavitation and thinning of the adsorption layer.
NETL
NSTL
万方数据
维普
