Review of absorption and adsorption in the hydrogen–palladium system Review Article

The hydrogen–palladium system has been the subject of much study, both experimentally and computationally. In this review article the authors have set out to draw a comparison between the experimentally determined thermodynamic data for this system and the calculated energies, in order to attempt to bridge the gap between computational chemistry and experimental work and so gain insight into the absorption and adsorption of hydrogen on palladium.Rigorous thermodynamic analysis of the data for the absorption of hydrogen into palladium metal shows that although constant volume measurements have been made, the analysis that has been applied in the literature in several instances is valid only for a constant pressure system. Re-analysis of the data has lead to a heat of formation for β-palladium hydride which is not a function of composition and a weak function of temperature. Values for the internal energy of absorption of −36.7, −35.2 and −34.4 kJ/mol of H2 were obtained at 0 °C and in the temperature ranges from 200 to 313 °C and from 366 to 477 °C, respectively. There is a good agreement between these values and the calculated values.