The design and development of many emerging separation and catalytic process technologies require a proper quantitative description of diffusion of mixtures of guest molecules within meso- and microporous structures. In mesoporous materials with pore sizes 2 nm < dp < 50 nm, there is a central core region where the influence of interactions of the molecules with the pore wall is either small or negligible; mesopore diffusion is governed by a combination of molecule−molecule and molecule−pore wall interactions. Within micropores with dp < 2 nm, the guest molecules are always within the influence of the force field exerted with the wall; we have to reckon with the motion of adsorbed molecules, and there is no “bulk” fluid region. This article presents a unified, phenomenological, description of diffusion inside meso- and microporous structures using concepts and ideas that originate from James Clerk Maxwell and Josef Stefan. With the aid of extensive data sets of molecular dynamic simulations of unary and m...

Describing the Diffusion of Guest Molecules Inside Porous Structures

Prospects for principles of size and shape selective separations using zeolites

Adsorption isotherms of carbon dioxide were measured on six high-silica zeolites TNU-9, IM-5, SSZ-74, ferrierite, ZSM-5 and ZSM-11 comprising three-dimensional 10-ring (8-ring for ferrierite) at 273, 293, 313 and 333 K. Based on the known temperature dependence of CO2 adsorption, isosteric heats of adsorption were calculated. The obtained adsorption capacities and isosteric adsorption heats related to the amount of CO2 adsorbed have provided detailed insight into the carbon dioxide interaction with zeolites of different framework topology. The zeolites TNU-9 and ferrierite are characterized by pronounced energetic heterogeneity whereas due to the location of Na+ cations in the same positions the isosteric adsorption heats of CO2 adsorption on IM-5, ZSM-5 and ZSM-11 zeolites are rather constant for molecular ratio CO2/Na+ < 1. As IM-5 zeolite has a maximum adsorption capacity, it appears to have optimum properties for carbon dioxide separation.

Adsorption of Carbon Dioxide on High-Silica Zeolites with Different Framework Topology

Synthesis of dealuminated zeolites NaY and MOR and characterization by diverse methodologies: 27Al and 29Si MAS NMR, XRD, and temperature dependent 129Xe NMR

Formation and dehydration enthalpy of ion exchanged zeolite beta

A compendium of potential energy maps of zeolites and molecular sieves

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A compendium of potential energy maps of zeolites and molecular sieves