Journal
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
Volume 39, Issue -, Pages 80-90Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.calphad.2012.08.005
Keywords
Lithium tetrahydroborate; Thermodynamics; Data assessment; CALPHAD
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Funding
- European Commission under COSY [MRTN-CT-2006-035366]
- European Commission under FLYHY [NMP-2008-261/226943]
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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. (C) 2012 Elsevier Ltd. All rights reserved.
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