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The Thermodynamic Way of Assessing Reversible Metal Hydride Volume Expansion: Getting a Grip on Metal Hydride Formation Overpotential

04 February 2021, Version 3
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The relative volume change of reversible metal hydrides upon hydrogenation is determined by means of the van’t Hoff reaction entropy and STP ideal gas parameters. This method allows insight into the requirements to metal hydride formation, outlined by example of Ti-NaAlH4. This work presents a timeless perspective on the sorbent phase thermodynamics of reversible chemical hydrogen storage systems.

Keywords

metal hydride
Reversible Hydrogen Storage Properties
molar volume results
sodium alanate
Thermodynamic Modeling
Thermodynamic tailoring
Equilibrium thermodynamics
Reversible Hydrogen Storage Capacity
volume expansion ratios
reaction comparison approaches
reversibility
hydrogen storage

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Version History

Feb 04, 2021 Version 3

Version Notes

V3: Some mental leaps and unclear parts were noticed and amended: sections 2 and 3 are more clearly outlined and from equation 8d onwards the line of argument has been sharpened (equation 13 in V2 omitted). A minor mistake with the Na3AlH6 crystal density calculation was noticed, leading to a 3.5 % deviation in the final result; it has been corrected and the result is now spot-on.

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.10316819.v3
D O I: 10.26434/chemrxiv.10316819.v3 [opens in a new tab]

Funding

European Space Agency grant 4000105330/12/NL/CLP

Author’s competing interest statement

There are no conflicts to declare.

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