Study of Methane Adsorption on Nanoporous Carbon Model by GCMC

Natural gas (NG) consists mainly of methane, which has hydrogen to carbon ratio higher than any other molecule used as a primary fuel [1]. Its combustion does produce any NOx, SOx, [2]. Nanoporous carbon adsorbent (NPCs) have inexpensive and abundant primary sources of wood, coal and polymers, easy to synthesize. They possess significant physical properties such as the adjustable volume of cavities, high porosity, high surface area, flexible shape, high chemical stability, nanosize cavities and noticeable resistance in the acidic and high pressure and temperature environment [3]. In this work we construct a model consist of channels and cavities to study the adsorption of natural gas components. the performance of proposed model was assessed the grand canonical Monte Carlo(GCMC) is performed to study the adsorption behavior of methane with in models. by comparing the methane adsorption with that experimental values , adsorption capacity , heat of adsorption and the most preferred adsorption sites of methane molecule in the model porous structures was analyzed. Our results show that for the model with the best agreement with the experimental value the methane adsorption capacity was 1 mmol/gram . analysis of adsorbed molecules show that channels are the most preferred site for adsorption of methane.