Numerical investigation of heat and mass transfer during the desorption process of an Mg2Ni–H2 reactor

In this paper, a numerical study of coupled heat and mass transfer during the desorption process of metal–hydrogen reactor (Mg2Ni–H2), is presented. Analytical expressions describing, the reaction kinetic and the equilibrium pressure of the Mg2Ni-H2 system have been determined and integrated into a theoretical model that describes the dynamic behavior of the reactor. This model, which takes into account radiative heat transfer, is solved by the control volume finite element method (CVFEM). The numerical simulation is used to present the time–space evolutions of the temperature and the hydride density within the reactor and to evaluate the effect of radiative heat transfer and the governing operating parameters (outlet pressure, temperature of heating fluid, heat exchange coefficient) on the dynamic behavior of the reactor. In addition, a new geometric configuration of the reactor is proposed and simulated.

► New expressions of the reaction kinetic and equilibrium pressure are developed.
► A mathematical model is developed and solved numerically by the CVFEM.
► The use of an unstructured mesh for the discretization of the developed model.
► In the developed model, the radiative heat transfer was taken into account.
► A new configuration of a metal-hydride reactor was proposed and simulated.