Adsorption and Diffusion of Methane in Coal Slit Pores: Insights into the Molecular Level

Coal contains multi-scale pore structures, which determine the adsorption and diffusion of methane. To further reveal the effect of the pore structure from the molecular level, we construct the different slit pore models of coal and carry out a series of molecular simulations. The results show that the increase of slit pores increases the absolute adsorption capacity and isosteric heat of adsorption. The increased slit pores can promote the self-diffusion and transport diffusion of methane molecules. This research can provide a basis for the theory of the coal-methane interaction.

Automated summary

This study investigates the impact of pore structure in coal on methane adsorption and diffusion through molecular simulations. The results demonstrate that an increase in slit pores enhances the adsorption capacity and heat of adsorption of methane. Moreover, the increased slit pores facilitate self-diffusion and transport diffusion of methane molecules.