Theoretical and experimental studies on the adsorption of aromatic compounds onto cellulose.

The adsorption of several aromatic compounds over microcrystalline cellulose was studied by molecular modeling and experimentally using gas chromatography. Experimental adsorption enthalpies were obtained from an equation based on Clausius-Clapeyron formalism and the temperature dependence of retention volume at infinite dilution. Four different cellulose surfaces (three crystalline (110, 100, and 010) and one amorphous) were modeled.