Modelling and proper evaluation of volumetric kinetics of hydrogen desorption by metal hydrides

Drozdov, I. V.; Kochubey, V.; Li, Meng; Mauer, Georg; Vaßen, Robert; Stöver, D.

doi:10.1016/j.ijhydene.2015.05.119

Cited by 11 publications

(35 citation statements)

References 26 publications

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“…As it was found recently [2,3] the kinetics of hydrogen desorption can be described successfully by the ansatz of 'confluent shrinking core' model [5]. This approach allows to evaluate properly the kinetics of the pressure in the volumetric space increasing due the desorption.…”

Section: Introductionmentioning

confidence: 93%

“…Keeping in mind that bX 2 /k ≡ p is the threshold pressure, which is never reached (case II of [2]), and using the notations:…”

Section: Exact Solutionmentioning

confidence: 99%

“…The aim of the modelling outlined below was to reproduce the final phase of the desorption in the case of complete outgassing of the desorbent. The maximal pressure p max reached through the desorption remains thereat below the threshold pressure p = C s X 2 defined by the critical concentration of the α -dissolved hydrogen X and the Sievert's constant C s for the given temperature, the volumetric case II [2].…”

Section: Introductionmentioning

confidence: 99%

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Kinetics of Final Degassing of Hydrogen Desorption by Metal Hydrides

Drozdov

2014

Preprint

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Section: Introductionmentioning

confidence: 93%

“…Keeping in mind that bX 2 /k ≡ p is the threshold pressure, which is never reached (case II of [2]), and using the notations:…”

Section: Exact Solutionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Kinetics of Final Degassing of Hydrogen Desorption by Metal Hydrides

Drozdov

2014

Preprint

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“…In this paper, we present a continuum theory capable of assessing how the stress affects the kinetics of hydrogen uptake and release in metals under the assumption that the    transformation is the ratedetermining step. This assumption has been discussed in Drozdov et al (2015aDrozdov et al ( , 2015b, who indicate that the assumption of fast diffusion in both and phases are justifiable. The theory is suitable to describe the behavior of metal-hydrogen systems near the transition chemical potential at which the  and  phases would coexist in absence of stress.…”

Section: Introductionmentioning

confidence: 99%

Stress effects on the kinetics of hydride formation and growth in metals

Souza

Cruz

Duda

2018

Lat. Am. j. solids struct.

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Although metal hydrides are considered promising candidates for solidstate hydrogen storage, their use for practical applications remains a challenge due to the limitation imposed by the slow kinetics of hydrogen uptake and release, which has driven the interest in using metal nanoparticles as advanced materials of new hydrogen-storage systems since they display fast hydrogenation and dehydrogenation kinetics. Nevertheless, the understanding of the adsorption/release kinetics requires the investigation of the role played by the stress which appears to accommodate the misfit between the metal and hydride phases. In this paper, we present a continuum theory capable of assessing how the misfit stress affects the kinetics of hydride formation and growth in metallic nanoparticles. The theory is then applied to study the kinetics of adsorption/release in spherical particles. This work extends Duda and Tomassetti (2015, 2016) by considering stress-dependent hydrogen mobility.

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“…A promising solution could be the use of solid state hydrogen storage. Among the materials which are good candidates for this purpose are the complex light metal hydrides [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15], where the hydrogen atoms are held by strong covalent bonds. Particularly attractive is LiBH 4 , which has a high volumetric hydrogen density (18.5 wt%) [16].…”

Section: Introductionmentioning

confidence: 99%

A DFT study on the hydrogen desorption from the lithium borohydride and aluminohydride upon the addition of nanostructured carbon catalyzing agent

Paduani

Rappe

2017

International Journal of Hydrogen Energy

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Here we study in van der Waals-corrected DFT calculations the dehydrogenation mechanism of the light metal hydrides LiBH 4 and LiAlH 4 by focusing on the effect of the addition of the carbon fullerene C 60 as catalyzing agent. The results show a rather significant gain in the energy cost for H desorption in the presence of the catalyst, which is substantially even more pronounced when considering boron-doping the fullerene. In the source of this effect is the disturb introduced in the distribution of bonding charge upon the hybridization of states in the interplay cluster-fullerene with a consequent weakening of the hydrogen bonds, leading therein to an enhanced kinetics for the hydrogen release.

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Modelling and proper evaluation of volumetric kinetics of hydrogen desorption by metal hydrides

Cited by 11 publications

References 26 publications

Kinetics of Final Degassing of Hydrogen Desorption by Metal Hydrides

Kinetics of Final Degassing of Hydrogen Desorption by Metal Hydrides

Stress effects on the kinetics of hydride formation and growth in metals

A DFT study on the hydrogen desorption from the lithium borohydride and aluminohydride upon the addition of nanostructured carbon catalyzing agent

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