Thermodynamics Study of Polychlorinated Biphenyls (PCBs) Passing through SWNT and Their Removal from Environment
محورهای موضوعی : Journal of Physical & Theoretical Chemistry
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کلید واژه: Polychlorinated biphenyls (PCB, SWNT (Engle-walled carbon nano, Environment pollution, }ANDO method, OFT,
چکیده مقاله :
Polychlorinated Biphenyls (PCBs) have been widely used to flame-retard products common in homes and theworkplace, and subsequently. Polychlorinated biphenyls (PCBs) typify a class of highly toxic, stable aromaticpollutants. PCBs are recently being scrutinized for potential environment damage in groundwater and in theatmosphere. The elimination of chemical pollutants from a contaminated environment is one of the roostimportant steps towards achieving the goal of environmental remediation.Recent studies have used carbon mnombes (CNTs) for adsorption of pollution in environment, which aresignificantly higher dioxin elimination efficiencies In this study, mechanism and interaction of single-walledcarbon naotube (SWNT) for removal of PCBs are calculated by Gaussian program package. Inter SWNT; therearc four situations for PCBs near SWNT (6, 6) with length of 1.54 um that we calculated simulation of passingPCB through SWNT. The thermodynamics properties are calculated for passing PCBs across from SWNT thattheir results are showed this method can use for removal PCBs in environmental and their interaction are lowpotential in SWNT middle. So there is a place for adsorption of PCBs into SWNT, PCBs trap in it This passingis exothermic, spontaneous, and favorable.
