Lee, Byeong-Moon Jang, Je-Wook Shim, Jae-Hyeok Cho, Young Whan Lee, Byeong-Joo 2024-01-21T02:03:35Z 2024-01-21T02:03:35Z 2021-09-01 2006-11-09 0925-8388 https://pubs.kist.re.kr/handle/201004/134960 Thermodynamic properties of hydrides, NaH, Na3AlH6 and NaAlH4 which can be a promising candidate for a hydrogen storage material system, were critically assessed by analyzing available piecewise literature information on thermodynamic properties using the CALPHAD method. Through the assessment, a critical evaluation on the reliability of individual literature data on thermodynamic properties of the NaH-Na3AlH6-NaAlH4 hydride system could be made, and a self-consistent thermodynamic description could be obtained. The finally assessed thermodynamic description can reproduce various thermodynamic properties of individual hydrides and phase equilibria among hydrides in reasonable agreement with relevant experimental and high-level calculation data, and provide a reference data that can be used for comparison with high-level calculations and for further thermodynamic assessments of higher order systems. (c) 2006 Elsevier B.V. All rights reserved. English ELSEVIER SCIENCE SA REVERSIBLE HYDROGEN STORAGE SODIUM ALANATES 1ST PRINCIPLES HEAT-CAPACITY POTASSIUM NA3ALH6 LITHIUM NAALH4 Thermodynamic assessment of the NaH <-> Na3AlH6 <-> NaAlH4 hydride system Article 10.1016/j.jallcom.2006.01.008 1 JOURNAL OF ALLOYS AND COMPOUNDS, v.424, no.1-2, pp.370 - 375 JOURNAL OF ALLOYS AND COMPOUNDS 424 1-2 370 375 scie scopus 000241414900069 2-s2.0-33749150343 Chemistry, Physical Materials Science, Multidisciplinary Metallurgy & Metallurgical Engineering Chemistry Materials Science Metallurgy & Metallurgical Engineering Article REVERSIBLE HYDROGEN STORAGE SODIUM ALANATES 1ST PRINCIPLES HEAT-CAPACITY POTASSIUM NA3ALH6 LITHIUM NAALH4 hydrogen storage materials thermodynamic calculations chemical reactions NaH Na3AlH6 NaAlH4