Thermodynamic Modeling of the Ni–H System
Résumé
A new thermodynamic assessment of the Ni-H system has been carried out. It takes into account the hydride formation and the presence of the miscibility gap. A complete literature study was reviewed in order to include high pressure data for the assessment. In addition to experimental data, first principles calculations were realized and used. The fcc solid solution of hydrogen in nickel was studied in the frame of the Cluster Expansion Method. Furthermore, a high pressure model was used to take into account the condensed phase compressibility at high pressure. Quasi-harmonic phonon calculations results were used to optimize the parameters related to this model.
Domaines
Chimie théorique et/ou physique| Origine | Fichiers produits par l'(les) auteur(s) |
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