A Molecular Simulation Study on Empirical Determination Method of Pore Structures of Activated Carbons
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概要
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A validity of the subtracting pore effect (SPE) method for the specific surface area (SSA) determination of activated carbons was investigated by the grand canonical Monte Carlo (GCMC) simulation of nitrogen adsorption isotherms on a model graphite slit-pore at 77K. The simulated adsorption isotherm changed sensitively with the micropore width. The α<I><SUB>s</SUB></I>-plot was constructed for the simulated adsorption isotherm and it showed the filling-and cooperative-swings, which were assigned to the enhanced surface-molecule and intermolecular interactions, respectively. The simulated as-plot gave a theoretical basis for the SPE method of the correct SSA determination for activated carbons. Also it was given that the shape analysis of the α<I><SUB>s</SUB></I>-plot can provide the pore size distribution.
- 炭素材料学会の論文
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