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Type: Journal article
Title: Analytical representation of micropores for predicting gas adsorption in porous materials
Author: Thornton, A.
Furman, S.
Nairn, K.
Hill, A.
Hill, J.
Hill, M.
Citation: Microporous and Mesoporous Materials, 2013; 167:188-197
Publisher: Elsevier Science BV
Issue Date: 2013
ISSN: 1387-1811
Statement of
Aaron W. Thornton, Scott A. Furman, Kate M. Nairn, Anita J. Hill, James M. Hill, Matthew R. Hill
Abstract: A straightforward method for the prediction of the gas storage capabilities of porous materials has been established. The Topologically Integrated Mathematical Thermodynamic Adsorption Model (TIMTAM) combines analytical surface potential energies with classical physisorption thermodynamics in a computationally inexpensive fashion. Experimental and simulated isotherms from leading sorbent candidates such as metal-organic frameworks (MOFs), zeolitic imidazolate frameworks (ZIFs), carbon nanotubes and activated carbons have been used to verify the model. Furthermore, the effect of pore size and shape upon gas storage characteristics is explored using the TIMTAM routine. © 2012 Elsevier Inc. All rights reserved.
Keywords: Adsorption
Metal–organic framework
Activated carbon
Potential energy
Rights: Copyright © 2012 Elsevier Inc. All rights reserved.
DOI: 10.1016/j.micromeso.2012.09.002
Grant ID: ARC
Appears in Collections:Aurora harvest 4
Mathematical Sciences publications

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