Thermodynamics of the dehydrogenation of the LiBH4-YH3 composite: Experimental and theoretical studies
- Thermodynamics of the dehydrogenation of the LiBH4-YH3 composite: Experimental and theoretical studies
- 심재혁; 이영수; 서진유; 조원철; 한상섭; 조영환
- Hydrogen storage; Complex metal hydride; Reactive hydride composite; LiBH4-YH3; Dehydrogenation; Thermodynamics; First-principles calculation; Thermodynamic calculation; Metal hydrides; Composite materials
- Issue Date
- Journal of alloys and compounds
- VOL 510, NO 1, L9-L12
- 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 ℃.
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