Thermodynamics Study of Polychlorinated Biphenyls (PCBs) Passing through SWNT and Their Removal from Environment

Abstract

Polychlorinated Biphenyls (PCBs) have been widely used to flame-retard products common in homes and the<br />workplace, and subsequently. Polychlorinated biphenyls (PCBs) typify a class of highly toxic, stable aromatic<br />pollutants. PCBs are recently being scrutinized for potential environment damage in groundwater and in the<br />atmosphere. The elimination of chemical pollutants from a contaminated environment is one of the roost<br />important steps towards achieving the goal of environmental remediation.<br />Recent studies have used carbon mnombes (CNTs) for adsorption of pollution in environment, which are<br />significantly higher dioxin elimination efficiencies In this study, mechanism and interaction of single-walled<br />carbon naotube (SWNT) for removal of PCBs are calculated by Gaussian program package. Inter SWNT; there<br />arc four situations for PCBs near SWNT (6, 6) with length of 1.54 um that we calculated simulation of passing<br />PCB through SWNT. The thermodynamics properties are calculated for passing PCBs across from SWNT that<br />their results are showed this method can use for removal PCBs in environmental and their interaction are low<br />potential in SWNT middle. So there is a place for adsorption of PCBs into SWNT, PCBs trap in it This passing<br />is exothermic, spontaneous, and favorable.