Abstract
HF, CF4, C2F6 and SiF4 are the main fluoride gases evolved in the Hall–Heroult process. However, the major contributor of fluoride is HF. Since these gases are very toxic, they must be adsorbed from the environment. In this research, adsorption of HF, CF4, C2F6 and SiF4 in aluminium smelter is discussed and compared. Due to the capability of nanotubes in gas adsorption, this study has been conducted to figure out the adsorption of fluoride gases on (8,8) armchair carbon nanotubes (CNTs). Lennard-Jones potential was used for gas–gas and gas–carbon nanotube interactions. In addition, the potential parameters for the carbon–gas and carbon–carbon interactions were obtained from the Lorenz-Berthelot combining rules. The simulation results showed that this adsorption can be a possible solution for separation of toxic gases from the environment. The proposed method provides a new horizon in the aluminium industry.
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