Study of Separation Between CO with H2 on Carbon Nanotube by Monte Carlo Simulation in Aluminum Smelter

Abstract

CO is very toxic gas, hence the separation of this gas is very important. In this study, the separation of CO and H2 has been studied. Prevent the emission of carbon monoxide in the environment is very important. In this study, Lennard–Jones potential was used for gas–gas and gas–carbon nanotube interactions, and the potential parameters for the carbon–gas and carbon–carbon interactions were obtained from the Lorenz–Berthelot combining rules. The study has been done by using the equation state of Virial and finding the second coefficient in Virial equation. Final steps were the inside density, outside density, and total density of nanotubes, and my calculation result shows that this separation is possible.