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On the application of standard isotherms to hydrogen adsorption in microporous materials

On the application of standard isotherms to hydrogen adsorption in microporous materials
On the application of standard isotherms to hydrogen adsorption in microporous materials
A mathematical framework for simulating equilibrium hydrogen adsorption isotherms in porous materials and estimating the values of key parameters associated with the adsorption process is developed. Explicit expressions for the excess, adsorbed, compressed and absolute masses, for any model isotherm, are derived. The modelling framework is used in combination with five standard equilibrium isotherm models to simulateexperimental data for Prussian blue analogues, nitropussides and metal-organic frameworks via nonlinear regression. The surface areas, the affinity and heterogeneity factors, and the pressure-dependent adsorption volumes are calculatedand compared to values available in the literature and the sensitivity of the results to the number of data points is quantified. The consistency of the results using different isotherm models is evaluated.
0360-3199
14464-14476
Al-Hajjjaj, Abdelwahid
e0ab73a1-2cbc-4290-a268-857aed0221e8
Zamora, Blanca
c700e304-4047-4791-81bc-33a6db97214e
Shah, Akeel A.
ed7baab6-105f-4c99-969b-a8038fa87aaf
Bavykin, Dmitry V.
1e9fabfc-d078-4585-876f-85ff33b7eed5
Reguera, Edilso
81aec0d4-3dfa-4a29-a243-660fadc5488c
Walsh, Frank C.
309528e7-062e-439b-af40-9309bc91efb2
Al-Hajjjaj, Abdelwahid
e0ab73a1-2cbc-4290-a268-857aed0221e8
Zamora, Blanca
c700e304-4047-4791-81bc-33a6db97214e
Shah, Akeel A.
ed7baab6-105f-4c99-969b-a8038fa87aaf
Bavykin, Dmitry V.
1e9fabfc-d078-4585-876f-85ff33b7eed5
Reguera, Edilso
81aec0d4-3dfa-4a29-a243-660fadc5488c
Walsh, Frank C.
309528e7-062e-439b-af40-9309bc91efb2

Al-Hajjjaj, Abdelwahid, Zamora, Blanca, Shah, Akeel A., Bavykin, Dmitry V., Reguera, Edilso and Walsh, Frank C. (2011) On the application of standard isotherms to hydrogen adsorption in microporous materials. International Journal of Hydrogen Energy, 36 (22), 14464-14476. (doi:10.1016/j.ijhydene.2011.07.110).

Record type: Article

Abstract

A mathematical framework for simulating equilibrium hydrogen adsorption isotherms in porous materials and estimating the values of key parameters associated with the adsorption process is developed. Explicit expressions for the excess, adsorbed, compressed and absolute masses, for any model isotherm, are derived. The modelling framework is used in combination with five standard equilibrium isotherm models to simulateexperimental data for Prussian blue analogues, nitropussides and metal-organic frameworks via nonlinear regression. The surface areas, the affinity and heterogeneity factors, and the pressure-dependent adsorption volumes are calculatedand compared to values available in the literature and the sensitivity of the results to the number of data points is quantified. The consistency of the results using different isotherm models is evaluated.

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Published date: 1 September 2011
Organisations: Engineering Science Unit

Identifiers

Local EPrints ID: 196461
URI: https://eprints.soton.ac.uk/id/eprint/196461
ISSN: 0360-3199
PURE UUID: 7f7d3b5c-f6b9-4231-87c5-c7e38d39f9e9

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Date deposited: 07 Sep 2011 14:11
Last modified: 18 Jul 2017 11:22

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