| Extension of the Quenched Solid Density Functional Theory to Adsorption on Carbons | ||
| Peter I. Ravikovitch, Present address: ExxonMobil Research and Engineering Co, Annandale, NJ 08801 and Alexander V. Neimark, Department of Chemical and Biochemical Engineering, Rutgers University, 98 Brett Road, Piscataway, NJ 08854-8058 Recently, we have suggested a model of adsorption in pores with amorphous and microporous solids walls, named the quenched solid density functional theory (QSDFT) that had been successfully applied to modeling adsorption in pores of siliceous materials [1]. QSDFT represents a multicomponent non-local density functional theory (NLDFT), in which the solid is treated as a quenched component with a fixed spatially distributed density. In this paper, QSDFT approach, which takes into account roughness and corrugation of pore walls, is extended to carbon adsorbents. [1] Ravikovitch P.I. and Neimark A.V., Langmuir 22, (2006) 11171 Extended Abstract Status: Not Uploaded | ||