Abstract
We modeled the dynamics of hydrogen and deuterium adsorbed on palladium nanoparticles including the heat generation induced by the chemical adsorption and desorption, as well as palladium-catalyzed reactions. Our calculations based on the proposed model reproduce the experimental time-evolution of pressure and temperature with a single set of fitting parameters for hydrogen and deuterium injection. The model we generated with a highly generalized set of formulations can be applied for any combination of a gas species and a catalytic adsorbent/absorbent. Our model can be used as a basis for future research into hydrogen storage and solid-state nuclear fusion technologies.
Highlights
Micro- and nanoscale palladium (Pd) composites are known for their promise in hydrogen storage applications [1, 2, 3, 4, 5, 6, 7, 8, 9]
The simple theoretical model we have developed reproduces the experimental time-evolution of the pressure and temperature observed in H2–Pd and D2–Pd systems with respect to the chemical adsorption and desorption of hydrogen and deuterium on Pd nanoparticles
To model the time-evolution of the temperature of the Pd-based composite material, we have formulated Eq [1_TD$IF](8). This equation represents the heat balance to determine the temperature evolution caused by heat generation and dissipation
Summary
Micro- and nanoscale palladium (Pd) composites are known for their promise in hydrogen storage applications [1, 2, 3, 4, 5, 6, 7, 8, 9]. To the best of our knowledge, there are no reports on an exclusive process model that includes both the physical molecular transportation processes and the subsequent chemical reactions. These are necessary to reproduce the macroscopically observable experimental parameters, such as the pressure and temperature inside the reactors. This model provides a basis in these research areas for the evaluation and optimization of the operational performance with respect to the system structures and reaction conditions. The simple theoretical model we have developed reproduces the experimental time-evolution of the pressure and temperature observed in H2–Pd and D2–Pd systems with respect to the chemical adsorption and desorption of hydrogen and deuterium on Pd nanoparticles
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