Modeling and experimental verification of the thermodynamic properties of hydrogen storage materials

Ledovskikh, AV; Danilov, DL; Vliex, M; Notten, PHL

Modeling and experimental verification of the thermodynamic properties of hydrogen storage materials

Ledovskikh, AV Danilov, DL Vliex, M Notten, PHL

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Publisher:: PERGAMON-ELSEVIER SCIENCE LTD
Publication Type:: Journal Article
Citation:: International Journal of Hydrogen Energy, 2016, 41, (6), pp. 3904-3918
Issue Date:: 2016-02-19

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Field	Value	Language
dc.contributor.author	Ledovskikh, AV
dc.contributor.author	Danilov, DL
dc.contributor.author	Vliex, M
dc.contributor.author	Notten, PHL
dc.date.accessioned	2022-08-21T05:42:26Z
dc.date.available	2022-08-21T05:42:26Z
dc.date.issued	2016-02-19
dc.identifier.citation	International Journal of Hydrogen Energy, 2016, 41, (6), pp. 3904-3918
dc.identifier.issn	0360-3199
dc.identifier.issn	1879-3487
dc.identifier.uri	http://hdl.handle.net/10453/160598
dc.description.abstract	A new mathematical model has been developed describing the thermodynamics of the hydrogen absorption and desorption process in Metal Hydrides via the gas phase. This model is based on first principles chemical and statistical thermodynamics and takes into account structural changes occurring inside hydrogen storage materials. A general state equation has been derived considering the chemical potentials of reacting species and volume expansion, from which the equilibrium hydrogen pressure dependence on the absorbed hydrogen content can be calculated. The model is able to predict the classical Van ’t Hoff equation from first-principle analytical expressions and gives more insight into the various hydrogen storage characteristics. Pressure-Composition Isotherms have been simulated for various hydride-forming materials. Excellent agreement between simulation results and experimental data has been found in all cases.
dc.language	English
dc.publisher	PERGAMON-ELSEVIER SCIENCE LTD
dc.relation.ispartof	International Journal of Hydrogen Energy
dc.relation.isbasedon	10.1016/j.ijhydene.2015.11.038
dc.rights	info:eu-repo/semantics/closedAccess
dc.subject	03 Chemical Sciences, 09 Engineering
dc.subject.classification	Energy
dc.title	Modeling and experimental verification of the thermodynamic properties of hydrogen storage materials
dc.type	Journal Article
utslib.citation.volume	41
utslib.for	03 Chemical Sciences
utslib.for	09 Engineering
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
utslib.copyright.status	closed_access	*
dc.date.updated	2022-08-21T05:42:24Z
pubs.issue	6
pubs.publication-status	Published
pubs.volume	41
utslib.citation.issue	6

Abstract:

A new mathematical model has been developed describing the thermodynamics of the hydrogen absorption and desorption process in Metal Hydrides via the gas phase. This model is based on first principles chemical and statistical thermodynamics and takes into account structural changes occurring inside hydrogen storage materials. A general state equation has been derived considering the chemical potentials of reacting species and volume expansion, from which the equilibrium hydrogen pressure dependence on the absorbed hydrogen content can be calculated. The model is able to predict the classical Van ’t Hoff equation from first-principle analytical expressions and gives more insight into the various hydrogen storage characteristics. Pressure-Composition Isotherms have been simulated for various hydride-forming materials. Excellent agreement between simulation results and experimental data has been found in all cases.

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http://hdl.handle.net/10453/160598