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

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).


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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.

Item Type: Article
Digital Object Identifier (DOI): doi:10.1016/j.ijhydene.2011.07.110
ISSNs: 0360-3199 (print)
0360-3199 (electronic)
Subjects: Q Science > QC Physics
T Technology > TA Engineering (General). Civil engineering (General)
T Technology > TP Chemical technology
Divisions : Faculty of Engineering and the Environment > Engineering Sciences
ePrint ID: 196461
Accepted Date and Publication Date:
1 September 2011Published
Date Deposited: 07 Sep 2011 14:11
Last Modified: 31 Mar 2016 13:44
URI: http://eprints.soton.ac.uk/id/eprint/196461

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