Thermodynamics of the dehydrogenation of the LiBH4-YH3 composite: Experimental and theoretical studies

Title
Thermodynamics of the dehydrogenation of the LiBH4-YH3 composite: Experimental and theoretical studies
Authors
심재혁이영수서진유조원철한상섭조영환
Keywords
Hydrogen storage; Complex metal hydride; Reactive hydride composite; LiBH4-YH3; Dehydrogenation; Thermodynamics; First-principles calculation; Thermodynamic calculation; Metal hydrides; Composite materials
Issue Date
2012-01
Publisher
Journal of alloys and compounds
Citation
VOL 510, NO 1, L9-L12
Abstract
Pressure–composition–temperature curves were constructed for the dehydrogenation of the LiBH4–YH3 composite. The Van’t Hoff plot of the plateau pressure values showed that the reaction enthalpy and entropy were 51 kJ/mol H2 and 101 J/K mol H2, respectively. Thermodynamic calculations were performed for the reaction in combination with first principles calculation. The calculated reaction enthalpy and entropy are in good agreement with the measured values. The equilibrium temperature for the reaction at 1 bar of hydrogen was estimated to be 232 ℃.
URI
http://pubs.kist.re.kr/handle/201004/40536
ISSN
0925-8388
Appears in Collections:
KIST Publication > Article
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