Helium, Neon, Argon and Hydrogen Mixture Adsorption from Canonical Monte Carlo Simulation: Temperature and Pressure Effect

In this research work, helium, neon, argon and hydrogen mixture adsorption on (7, 7) armchair carbon nanotubes (CNTs) were studied. The Lennard-Jones potential was used for the gas-gas and gas-carbon nanotube interactions. The potential parameters for the carbon-gas and carbon-carbon interactions were obtained from the Lorentz-Berthelot combining rules. We used the second virial equation of state with second virial coefficient to study pure gas adsorption and mixing rules with cross second virial coefficient to study the gas mixture adsorption. The work was carried out at a variety of temperatures and pressures in order to investigate their influence on the adsorptions and find the optimum adsorption condition. The results show that by increasing the pressure and decreasing the temperature, the magnitude of adsorption in mixture of gases and pure gases increase. Also among the mixture of noble gases and hydrogen ,in the presence of helium, hydrogen adsorption increase more than other noble gases which studied in this work.