title: Characterization of micro-mesoporous materials from nitrogen and toluene adsorption: experiment and modeling.
abstract: Universal mechanisms of adsorption and capillary condensation of toluene and nitrogen on ordered MCM-41 and PHTS materials are studied by means of high-resolution experiments and Monte Carlo molecular simulations. A molecular simulation model of toluene adsorption in silica nanopores, which accounts for surface heterogeneity, and a hybrid molecular-macsroscopic method for pore size distribution (PSD) calculations have been developed. For a range of reference materials, the PSD results obtained from toluene isotherms are consistent with the results of nitrogen adsorption using the nonlocal density functional theory method.
authors.affiliation: Center for Modeling and Characterization of Nanoporous Materials, TRI/Princeton, 601 Prospect Ave., Princeton, New Jersey 08540, USA. ravikovi@triprinceton.org
authors.forename: Peter I
authors.initials: PI
authors.lastname: Ravikovitch
authors.forename: Aleksey
authors.initials: A
authors.lastname: Vishnyakov
authors.forename: Alexander V
authors.initials: AV
authors.lastname: Neimark
authors.forename: Manuela M L
authors.initials: MM
authors.lastname: Ribeiro Carrott
authors.forename: Patrícia A
authors.initials: PA
authors.lastname: Russo
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Carrott