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Impact of the interaction with the positive charge in adsorption of benzene and other organic compounds from aqueous solutions on carbons
Authors:Artur P Terzyk  Magdalena S ?wiertnia  Marek Wi?niewski  Piotr A Gauden  Gerhard Rychlicki  Grzegorz S Szymański
Institution:N. Copernicus University, Faculty of Chemistry, Physicochemistry of Carbon Materials Research Group, Gagarin Street 7, 87-100 Toruń, Poland
Abstract:We present the results of benzene adsorption at the acidic pH level determined on the series of chemically modified activated carbons and at three temperatures. The influence of carbon surface chemical composition on benzene adsorption is discussed. It is shown that the decrease in the pH level from 7 up to 1.5 increases benzene adsorption and the only exception is carbon modified with gaseous ammonia. Basing on the results of current work and those published previously (for phenol, paracetamol, acetanilide and aniline) and using the results of quantum chemistry calculations (DFT, Gaussian 98) we show, that the value of the energy of interaction with unit positive charge is crucial during the analysis of the influence of pH level on adsorption. Obtained results allow to predict the changes in adsorption of aromatics on carbons with the decrease in the pH level.
Keywords:Adsorption from solution  Activated carbon  Gaussian 98  Benzene  Phenol  Paracetamol  Acetanilide  Aniline  DFT
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