Title

Capturing The Details Of N2 Adsorption In Zeolite X Using Stroboscopic Isotope Contrasted Neutron Total Scattering

Document Type

Article

Publication Date

1-1-2018

Publication Title

Chemistry of Materials

Publisher

American Chemical Society

Volume

30

Issue

1

First page number:

296

Last page number:

302

Abstract

Porous materials have widespread industrial applications in adsorption and catalysis, but experimental studies providing atomistic data regarding gas-sorbent interactions under application-relevant conditions are limited. Current analytical methods give information about either the crystal structure or the macroscopic kinetics involved in these processes, but not their interplay. The development of a new combination of stroboscopic, isotope-contrasted neutron total scattering and steady-state isotopic transient kinetic analysis provides insight into both areas. An advanced data reduction procedure was developed to isolate the differential isotope signal from the stroboscopic neutron diffraction. These data, combined with measurement of adsorption isotherms and theoretical considerations from Grand Canonical Monte Carlo simulation, enabled the location of a heterogeneous distribution of nitrogen adsorption sites in calcium exchanged zeolite X under operational conditions (1 atm, 300 K). The nitrogen is found to adsorb primarily at Ca site II, drawing the associated Ca atoms further out into the cage structure. This approach has great potential for the investigation of gas sorption, separation, and catalysis processes in process-relevant conditions. © 2017 American Chemical Society.

Language

English

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