I am exploring the correlation between the specific heat capacity (Cp) and the enthalpy of hydride formation (ΔH) in LaNi5H6 as a function of temperature. The calculations are based on a zero-dimensional (0D) model for metal hydrides. Given that Cp influences the thermal behavior of the system, and ΔH determines the heat exchange during hydrogen absorption and desorption, understanding their relationship is essential for accurate thermodynamic modeling.
Since both properties vary with temperature, I am particularly interested in knowing the correlations between the Cp and the ΔH with temperature for the LaNi5H6 hydride.
Hi, the contributions to specific heat of metal hydride are the metal vibrational term for the acoustic mode, the dilatational term, the electronic term and the hydrogen vibrational term for the optical mode. That is,
Cp=a+bT+cT2. See the article for the details: Article Thermal properties of yttrium hydride
B. Ramachandran Thank you so much for your reply and assistance, but I believe the coefficients would believe on the type pf hydride and was wondering if there is a generalized correlation which can be used for the analysis.
Hi, estimate change in Cp or change in enthalpy, then using Kirchhoff's Law to correlate them: 𝑑(Δ𝐻)/𝑑𝑇=ΔCp
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