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Prediction of enthalpy of formation and Gibbs energy change in pseudo-binary (Ti–Zr)(Fe–Cr)2 and pseudo-ternary (Ti–Zr)(Fe–Cr)2-H system using extended Miedema model

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Abstract

The thermodynamic model proposed by Miedema is capable of predicting the enthalpy of formation (ΔH) and relative stability of phases in binary but not in ternary or multi-component systems. While developing nanocrystalline binary/ternary metal hydrides for compressor-driven reversible heating–cooling applications, it is necessary to identify appropriate alloy compositions with suitable hydrogen storage capacity and reversible hydrogen absorption–desorption capability. Accordingly, a suitable modification of the Miedema model is proposed in the present study for calculating ΔH of AB2 type of pseudo-binary (Ti–Zr)(Fe–Cr)2 and pseudo-ternary (Ti–Zr)(Fe–Cr)2-H alloys. Subsequently, Gibbs energy (ΔG) of the possible phases is estimated to predict relative phase stability/equilibrium in a given system. It is shown that grain size or interfacial energy contribution exerts a significant influence on ΔG and relative stability of the phases beyond a critical value/limit. Finally, the predicted phase equilibrium from this model-based calculation is validated by suitable comparison with relevant experimental data reported in the literature.

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References

  1. Shaltiel D, Jacob I, Davidov D (1977) J Less-Common Met 53:117

    Article  CAS  Google Scholar 

  2. Shaltiel D (1978) J Less-Common Met 62:407

    Article  CAS  Google Scholar 

  3. de Boer FR, Boom R, Mattens WCM, Miedema AR, Niessen AK (1989) In: de Boer FR, Pettifor DG (eds) Cohesion in Metals, 2nd edn. North Holland Physics Publishing, Amsterdam

  4. Bouten PCP, Meidema AR (1980) J Less-Common Met 71:147

    Article  CAS  Google Scholar 

  5. van Mal HH, Buschow KHJ, Miedema AR (1974) J Less-Common Met 35:65

    Article  Google Scholar 

  6. Miedema AR, Buschow KHJ, van Mal HH (1976) J Less-Common Met 49:463

    Article  CAS  Google Scholar 

  7. Miedema AR, Buschow KHJ, van Mal HH (1977) In: Proc. symp. on electrode materials and processes for energy conversion and storage, Philadelphia, PA, pp 77–6. The Electrochemical Society, Princeton, p 456

  8. Herbst JF (2002) J Alloys Compd 337:99

    Article  CAS  Google Scholar 

  9. Herbst JF (2004) J Alloys Compd 368:221

    Article  CAS  Google Scholar 

  10. Fang S, Zhou Z, Zhang J, Yao M, Feng F, Northwood DO (2000) Int J Hydrogen Energy 25:143

    Article  CAS  Google Scholar 

  11. Fang S, Zhou Z, Zhang J, Yao M, Feng F, Northwood DO (1999) J Alloys Compd 293–295 10

    Article  Google Scholar 

  12. http://hydpark.ca.sandia.gov, as on 20 July 2005

  13. Yu GY, Pourarian F, Wallace WE (1985) J Less-Common Met 106:79

    Article  CAS  Google Scholar 

  14. Lee JY, Park JM (1990) In: Veziroglu TN, Takahashi PK (eds) Hydrogen energy progress VIII. Pergamon Press, New York, 2, pp 985–993

    Google Scholar 

  15. Wallace WE, Pourarian F (1985) U.S. Patent 4,556,551, Dec. 3, 1985

  16. Park J-G, Jang K-J, Lee PS, Lee J-Y (2001) Int J Hydrogen Energy 26:701

    Article  CAS  Google Scholar 

  17. Murr LE (1975) In: Interfacial phenomena in metals and alloys. Addison-Wesley Publishing Company

Download references

Acknowledgements

Partial financial support from the Ministry of Non-conventional Energy Sources, New Delhi (Grant no.: 103/08/2001-NT) is gratefully acknowledged. Useful technical discussion with Prof. E. Rabkin and Prof. H. J. Fecht is deeply appreciated.

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Authors and Affiliations

  1. Department of Metallurgical and Materials Engineering, Indian Institute of Technology, Kharagpur, WB, 721 302, India

    S. Bera & I. Manna

  2. Department of Mechanical Engineering, Indian Institute of Technology, Kharagpur, WB, 721 302, India

    S. Mazumdar, M. Ramgopal & S. Bhattacharyya

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  1. S. Bera
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  2. S. Mazumdar
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  3. M. Ramgopal
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  4. S. Bhattacharyya
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  5. I. Manna
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Correspondence to I. Manna.

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Bera, S., Mazumdar, S., Ramgopal, M. et al. Prediction of enthalpy of formation and Gibbs energy change in pseudo-binary (Ti–Zr)(Fe–Cr)2 and pseudo-ternary (Ti–Zr)(Fe–Cr)2-H system using extended Miedema model. J Mater Sci 42, 3645–3650 (2007). https://doi.org/10.1007/s10853-006-1377-9

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  • DOI: https://doi.org/10.1007/s10853-006-1377-9

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