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

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 H-2 and 101 J/K mol H-2, 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 degrees C. (C) 2011 Elsevier B.V. All rights reserved.