A grand canonical Monte Carlo simulation study of argon and krypton confined inside weakly attractive slit pores

作者：Sengupta Angan; Adhikari Jhumpa^*

来源：Molecular Simulation, 2015, 41(5-6): 402-413.

DOI：10.1080/08927022.2014.951352

• triangle-well fluids
• grand canonical Monte Carlo
• confined fluids
• slit pores

Grand canonical Monte Carlo simulations are performed to investigate the adsorption of argon and krypton inside weakly attractive slit pores. We examine the effects of confinement on these monoatomic fluids (modelled using the triangle-well potential) in a hard wall slit pore as also when the pore-fluid interactions are uniformly and weakly attractive. The effects of temperature and pressure on the adsorption isotherms of these confined fluids are found to be the same as those reported in literature. The equilibrium density profiles for argon and krypton exhibit both uniform distribution and layering under different conditions. In addition, for krypton, under specific conditions inside the narrow pores, we note the development of frustrated layering.

• 出版日期2015-4-13