GCMC simulation of methane adsorption in idealized coal slit pores: pore-size effects on confinement, adsorption energetics, and spatial distribution

Key Points

• The central aim is to explore how pore size affects methane adsorption in coal slit pores.
• Constructed an idealized coal slit-pore model for analysis.
• Conducted grand canonical Monte Carlo (GCMC) simulations to evaluate adsorption characteristics.
• Analyzed the impact of pore size on confinement and adsorption energetics.
• Increased pore size enhances methane adsorption capacity and alters spatial distribution.
• Adsorption energy varies significantly with pore size, indicating varying effectiveness based on pore geometry.