Zahra Zarifnia - Department of Physical chemistry Faculity of Chemistry, University of Mazandran, Babolsar
Saeid Yeganegi - Department of Physical chemistry Faculity of Chemistry, University of Mazandran, Babolsar

Natural gas (NG) consists mainly of methane, which has hydrogen to carbon ratio higher thanany 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 theadjustable volume of cavities, high porosity, high surface area, flexible shape, high chemicalstability, nanosize cavities and noticeable resistance in the acidic and high pressure andtemperature environment [3].In this work we construct a model consist of channels and cavities to study the adsorption ofnatural gas components. the performance of proposed model was assessed the grand canonicalMonte 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 , heatof adsorption and the most preferred adsorption sites of methane molecule in the model porousstructures was analyzed. Our results show that for the model with the best agreement with theexperimental value the methane adsorption capacity was 1 mmol/gram . analysis of adsorbedmolecules show that channels are the most preferred site for adsorption of methane.

Nanoporus Carbon Structures - Molecular Simulation - Adsorption - Methane Gas