Dehydriding and rehydriding reactions of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.gif" overflow="scroll"><mml:msub><mml:mrow><mml:mtext>LiBH</mml:mtext></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:math>

a b s t r a c t Thermodynamic data of the LiBH 4 compound are reviewed and critically assessed. On the basis of literature data of heat capacity, heat of formation, temperature and enthalpy of phase transitions, a CALPHAD optimized Gibbs energy function is derived for the condensed phases i.e. orthorhombic and hexagonal solid phases and the liquid phase. Considering hydrogen as an ideal gas phase, the thermodynamics of decomposition reactions of LiBH 4 is calculated, showing good agreement with existing experimental data.

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“…In fact, the DSC signal of Ref. [56] as well as the differential curve of the thermal desorption spectra reported in Ref. [1] show several peaks.…”

Section: Assessment Proceduresmentioning

confidence: 91%

A thermodynamic assessment of LiBH4

Kharbachi

Pinatel

Nuta

et al. 2012

Calphad

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“…Until in 2004 three different groups from the USA (Vajo et al, 2005), South Korea (Cho et al, 2006) and Germany independently discovered that by using MgB 2 instead of pure Boron as starting material formation of the respective borohydrides occurs at rather moderate conditions of 5 MPa H 2 pressure. Orimo et al (Orimo et al, 2005) reports on the rehydrogenation of previously dehydrogenated LiBH 4 at 35 MPa H 2 pressure at 600 °C. Mauron et al (Mauron et al, 2008) report that rehydrogenation is also possible at 15 MPa.…”

Section: Borohydridesmentioning

confidence: 99%

Thermodynamics of Metal Hydrides: Tailoring Reaction Enthalpies of Hydrogen Storage Materials

Dornheim¹

2011

Thermodynamics - Interaction Studies - Solids, Liquids and Gases

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“…Among borohydrides, alkali borohydrides such as LiBH 4 and NaBH 4 are well known and their properties have been investigated moderately. 1,2,3,4,5,6,7 Since these compounds are thermodynamically too stable and desorb hydrogen only at elevated temperatures, it is required to decrease their hydrogen desorption temperatures for practical applications.…”

Section: Introductionmentioning

confidence: 99%

First-principles study on thermodynamical stability of metal borohydrides: Aluminum borohydride Al(BH4)3

Miwa¹,

Ohba²,

Towata³

et al. 2007

Journal of Alloys and Compounds

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The thermodynamical stability of Al(BH4)3 has been investigated using first-principles calculations based on density functional theory. The heats of formation are obtained to be −132 and −131 kJ/mol without the zero-point energy corrections for α-and β-Al(BH4)3, respectively, which are made up of discrete molecular Al(BH4)3 units. It is predicted correctly that the α phase is more stable than the β phase. The energy difference between the solid phases and the isolated molecule is only about 10 kJ/mol. An analysis of the electronic structure also suggests the weak interaction between Al(BH4)3 molecules in the solid phases. It is confirmed that Al(BH4)3 obeys the linear relationship between the heat of formation and the Pauling electronegativity of the cation, which has been proposed in our previous study [Nakamori et al., Phys. Rev. B 74, 045126 (2006)].

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Dehydriding and rehydriding reactions of LiBH4

Cited by 434 publications

References 13 publications

A thermodynamic assessment of LiBH4

A thermodynamic assessment of LiBH4

Thermodynamics of Metal Hydrides: Tailoring Reaction Enthalpies of Hydrogen Storage Materials

First-principles study on thermodynamical stability of metal borohydrides: Aluminum borohydride Al(BH4)3

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