NDLI: Adsorption of Non Polar and Quadrupolar Gases in Siliceous Faujasite: Molecular Simulations and Experiments

Content Provider	Springer Nature Link
Author	Maurin, Guillaume Bell, Robert Kuchta, Bogdan Poyet, Thomas Llewellyn, Philip
Copyright Year	2005
Abstract	The adsorption of non polar (argon, methane) and quadrupolar (carbon dioxide, nitrogen) gases on siliceous Faujasite at ambient temperature and high pressure conditions up to 50 bar, is investigated both experimentally and theoretically by combining Microcalorimetry and Grand Canonical Monte Carlo techniques. The aim of this present work is to evaluate the adsorption isotherms as well as the evolution of the differential enthalpies of adsorption as a function of coverage, for each of the gases under study, and to compare directly results of simulations with our own experimental data. To this purpose, the choice of reliable interatomic potentials required to describe both the adsorbate/framework and adsorbate/adsorbate interactions is crucial. This work is thus based on new transferable pair potential models for methane and carbon dioxide, recently developed by one of the authors using quantum mechanical methods. Finally, we propose a simplified model which can relate the differential enthalpy of adsorption at low coverage to the polarisability of the gases.
Starting Page	331
Ending Page	336
Page Count	6
File Format	PDF
ISSN	09295607
Journal	Adsorption
Volume Number	11
Issue Number	1
e-ISSN	15728757
Language	English
Publisher	Kluwer Academic Publishers
Publisher Date	2005-01-01
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	microcalorimetry GCMC simulations Faujasite differential enthalpy of adsorption isotherm of adsorption Industrial Chemistry/Chemical Engineering Engineering Thermodynamics, Transport Phenomena Surfaces and Interfaces, Thin Films
Content Type	Text
Resource Type	Article
Subject	Chemistry Chemical Engineering Surfaces and Interfaces

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