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

08 February 2021, Version 4
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The relative volume expansion of reversible metal hydride crystals upon formation is determined by means of the van’t Hoff reaction entropy and STP ideal gas parameters, the development of this approach leads to a general method for calculating metal hydride single-crystal density. These results allow highlighting the pressure requirement to hydride phase formation, shown by the example of Ti-NaAlH4.

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
molar volume values
metal hydride crystal density
molar volume pressure dependency

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Version History

Feb 08, 2021 Version 4

Version Notes

V4: Some minor rephrasing of passages; in equation 13 there was a wrong hydrogen mol number in the sum formula (1+1.5 instead of 1+0.5), however a mistake of no consequence; a nice notion about the relation of the chemical potential solution to the one based on molar volume has been inserted, the space has been created by phrasing the critique of an unthinking positivist vantage point shorter; length is still 3000 words.

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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.v4
D O I: 10.26434/chemrxiv.10316819.v4 [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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