Carboxylated single-walled carbon nanotubes as a semiconductor for adsorption of acrylamide in mainstream cigarette smoke

Abstract Smoking Cigarettes can endanger the immune system and causes several autoimmune diseases and respiratory infections. The more cigarettes that are consumed, higher is the risk of several type of cancers like Bladder, Esophageal, Laryngeal, Lung, Mouth and Throat. Acrylamide is the main carcinogen in the cigarette smoke which has harmful effects on the entire body. Nano-filtration is one of the effective ways to eliminate the toxic substances. In this study, the adsorption and removal of toxic acrylamide gas have been investigated by carboxylated single-walled carbon nanotubes and interpreted through density functional theory. The results that have been obtained from the analysis of the Natural Bond Orbital, quantum theory of atoms in molecules, the contour map diagram, density of states and molecular electrostatic potential surface, demonstrate the adsorption of acrylamide by carboxylated carbon nanotubes.