In order to clarify whether static electricity can impose a control on physical adsorption of polar adsorbates, MD simulations were carried out to study the adsorption/desorption behavior of methanol in the nanopores ...In order to clarify whether static electricity can impose a control on physical adsorption of polar adsorbates, MD simulations were carried out to study the adsorption/desorption behavior of methanol in the nanopores of electrified activated carbon fiber (ACF). Some special phenomena were observed from the MD simulations for methanol adsorption in a mesopore of electrified ACF. For example it takes a shorter time for the adsorbates to reach the adsorption sites on the mesopore wall, the liquid-like methanol is highly condensed, the methanol molecules have a unique distribution of space orientation, and the total energy of equilibrium state dropped a lot. These phenomena indicate the static electricity reinforced the interaction between the polar methanol and the electrified ACF, so that the intensity, stability and regularity of adsorption were increased, and thus we predict that the adsorption capacity will be increased and the adsorption process will be accelerated. When adsorption equilibrium was reached at room temperature, eliminated the electric charges and heated the system, the desorption tendency was evidently observed from our simulations at 60°C or so.展开更多
文摘In order to clarify whether static electricity can impose a control on physical adsorption of polar adsorbates, MD simulations were carried out to study the adsorption/desorption behavior of methanol in the nanopores of electrified activated carbon fiber (ACF). Some special phenomena were observed from the MD simulations for methanol adsorption in a mesopore of electrified ACF. For example it takes a shorter time for the adsorbates to reach the adsorption sites on the mesopore wall, the liquid-like methanol is highly condensed, the methanol molecules have a unique distribution of space orientation, and the total energy of equilibrium state dropped a lot. These phenomena indicate the static electricity reinforced the interaction between the polar methanol and the electrified ACF, so that the intensity, stability and regularity of adsorption were increased, and thus we predict that the adsorption capacity will be increased and the adsorption process will be accelerated. When adsorption equilibrium was reached at room temperature, eliminated the electric charges and heated the system, the desorption tendency was evidently observed from our simulations at 60°C or so.
