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Modelling and Simulation of Simultaneous Intrinsic Kinetics, Hydrogen Transport and Heat Transfer in Complex Hydride Hydrogen Storage Systems

G. A. Lozano, J. M. Bellosta von Colbe, T. Klassen, and M. Dornheim
Institute of Materials Research
Materials Technology
Helmholzt-Zentrum Geesthacht
Geesthacht, Germany

In proper designs of hydrogen storage systems based on metal hydrides three processes are modelled and simulated: hydrogen flow (through the metal hydride bed), solid-state chemical transformation, and heat transfer (due to the highly exothermic chemical transformation).

In this work, modelling and simulation of the hydrogenation in complex hydride tanks is performed using COMSOL, case study is sodium alanate. For the intrinsic kinetics modelling we discuss a new approach: the material is described as a mixture composed of different types of reacting materials. We also analyse possible boundary conditions and the results when working in different space dimensions. The methodology is not limited to sodium alanate and can be rapidly applied to other hydrogen storage materials.