Modelling Gas Adsorption in Slit-Pores Using Monte Carlo Simulation |
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| Authors: | M B Sweatman N Quirke |
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| Institution: | Department of Chemistry , Imperial College , South Kensington, London, SW7 2AY, UK |
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| Abstract: | Abstract We discuss the use of Monte Carlo simulation to model the equilibrium adsorption of gases in slit pores. Databases of adsorption isotherms have been calculated for nitrogen, carbon-monoxide, methane and carbon-dioxide for a range of pressures, pore widths and temperatures. We discuss the implications of these results for materials characterisation procedures based on gas adsorption data. |
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| Keywords: | Monte Carlo simulation Gibbs ensemble Grand canonical ensemble Graphitic slit pores Adsorption isotherms Materials characterisation |
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