Physical Analysis and Mathematical Modeling of the Hydrogen Storage Process in the MmNi 4.2 Mn 0.8 Compound.

The results of an experimental and mathematical study into the MmNi 4.2 Mn 0.8 compound's hydrogen storage properties are presented in the present research. Plotting and discussion of the experimental isotherms (P-C-T) for different starting temperatures (288 K, 298 K, 308 K, and 318 K) were carried out first. Then, the enthalpy and entropy of formation (ΔH 0 , ΔS 0 ) were deduced from the plot of van't Hoff. Following that, the P-C-T were contrasted with a mathematical model developed via statistical physics modeling. The steric and energetic parameters, such as the number of the receiving sites (n 1 , n 2 ), their densities (N m1 , N m2 ), and the energy parameters (P 1 , P 2 ) of the system, were calculated thanks to the excellent agreement between the numerical and experimental results. Therefore, plotting and discussing these parameters in relation to temperature preceded their application in determining the amount of hydrogen in each type of site per unit of metal ([H/M] 1 , [H/M] 2 ) as well as for the entire system [H/M] versus temperature and pressure besides the absorption energies associated with each kind of site (ΔE 1 , ΔE 2 ) and the thermodynamic functions (free energy, Gibbs energy, and entropy) that control the absorption reaction.