Adsorption of Methane onto Activated Carbon by a Graphite Crystal Aggregate Model
Adsorption properties of methane onto a model activated carbon were investigated by a molecular model based on a new concept on the microstructure of the activated carbon. The graphite crystal aggregate (GCA) model was developed and employed in molecular simulations instead of infinite parallel plate models which have been commonly used in molecular simulations dealing with activated carbons so far. The GCA model took into account the size and configuration of the graphite crystal units aggregating and forming complex adsorption potential field controlling methane adsorption, and successfully interpreted experimental data of methane adsorption on a molecular sieving carbon (MSC).
KeywordsActivate Carbon Adsorption Property Molecular Simulation Graphite Layer Methane Molecule
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