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Thermodynamic description of hydrogen storage materials Cr–Ti–Zr and Fe–Ti–Zr

Published online by Cambridge University Press:  13 April 2017

Wojciech Gierlotka  and
Cho-yu Lee
Wojciech Gierlotka*
Affiliation:
Materials Science and Engineering Department, National Dong Hwa University, Hualien 97401, Taiwan
Cho-yu Lee
Affiliation:
Department of Mechanical Engineering, Southern Taiwan University of Science and Technology, Tainan 71005 Taiwan
*
a) Address all correspondence to this author. e-mail: wojtek@mail.ndhu.edu.tw
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Abstract

Modern hydrogen technology requires materials with high capacity storage. Many metals and alloys form cheap metal hydrides that can contain a high volume density of hydrogen. The quaternary alloy Cr–Fe–Ti–Zr with Laves phases is one promising hydrogen storage material. Understanding phase equilibria properties is essential to improve the Laves phases’ hydrogen storage capacity. In this work, the thermodynamic description of two constituent ternary phase materials, Cr–Ti–Zr and Fe–Ti–Zr are investigated using the Calphad method. A set of Gibbs energies was optimized during this work and good agreement between modeling and available experimental information was found. Moreover, a new thermodynamic model for a binary Fe–Zr system was developed based on recent experimental investigation about intermetallic compounds FeZr2 and FeZr3. Obtained in this work results can find application in development of new hydrogen storage materials.

Keywords

alloyscomputer modeling and simulationintermetallic compoundsthermodynamic properties
Type
Articles
Information
Journal of Materials Research , Volume 32 , Issue 7 , 14 April 2017 , pp. 1386 - 1396
Copyright
Copyright © Materials Research Society 2017 

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Footnotes

Contributing Editor: Jürgen Eckert

References

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