title: 1H NMR Investigations of Activated Carbon Loaded with Volatile Organic Compounds: Quantification, Mechanisms, and Diffusivity Determination.
abstract: Three volatile organic compounds (VOCs), benzene, cyclohexane, and dichloromethane, were adsorbed onto activated carbon fiber cloth.1H (magic-angle spinning (MAS) and pulsed field gradient (PFG)) NMR techniques were carried out, and the signals were analyzed in terms of peak surface areas and shifts. These techniques were shown to be very useful for determining (i) the intrinsic quantification of adsorbed molecules (VOCs and/or water) in the porosity of the materials (the adsorption capacities ranged from 0.2 to 4 mol·kg-1); (ii) the mechanisms of interactions between adsorbed organic molecules and the carbon walls (illustrations of positions of the molecule inside the pore volume are proposed; the proton-wall distance was less than 0.15 nm); and (iii) the diffusivities (surface diffusion coefficients (DS) were estimated at ≈4.10-12m2·s-1for cyclohexane, ≈1.10-11m2·s-1for benzene, and ≈4.10-11m2·s-1for dichloromethane).
authors.affiliation: Ecole Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 allée de Beaulieu, CS 50837 35708 Rennes Cedex 07, France.
authors.forename: Guirec
authors.identifier: 0000-0001-9691-1877
authors.initials: G
authors.lastname: Le Bozec
authors.affiliation: Ecole Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 allée de Beaulieu, CS 50837 35708 Rennes Cedex 07, France.
authors.forename: Sylvain
authors.initials: S
authors.lastname: Giraudet
authors.affiliation: Ecole Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 allée de Beaulieu, CS 50837 35708 Rennes Cedex 07, France.
authors.forename: Laurent
authors.initials: L
authors.lastname: Le Polles
authors.affiliation: Ecole Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 allée de Beaulieu, CS 50837 35708 Rennes Cedex 07, France.
authors.forename: Pierre
authors.initials: P
authors.lastname: Le Cloirec