A thermodynamic assessment of LiBH4

作者：El Kharbachi Abdelouahab; Pinatel Eugenio; Nuta Ioana^*; Baricco Marcello

来源：Calphad: Computer Coupling of Phase Diagrams and Thermochemistry , 2012, 39: 80-90.

DOI：10.1016/j.calphad.2012.08.005

• Lithium tetrahydroborate
• Thermodynamics
• Data assessment
• CALPHAD

Thermodynamic data of the LiBH4 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 LiBH4 is calculated, showing good agreement with existing experimental data.

• 出版日期2012-12