Development of an OpenFOAM Solver to Investigate the Dynamic Absorption and Desorption Processes in Metal-hydrides

Abstract

The purpose of this paper is to introduce twoRegionHydrideFoam, a newly developed solver that enables the calculation of hydrogen absorption and desorption reactions in metal-hydrides. This solver integrates simulations of chemical, thermodynamic, and continuum mechanical processes. The primary focus is to provide a detailed, locally resolved description of hydrogen loading cycles under varying temperatures and pressures. We discuss the mathematical model assembled for this purpose and its implementation in OpenFOAM. Additionally, precise heat transfer calculations are achieved using the groovyBC third-party library. The performance and accuracy of the solver are demonstrated through a parametric study where key system parameters are systematically varied and analyzed. Furthermore, this paper includes preconfigured example cases to facilitate understanding and application of the solver. This solver meets the increasing demand for advanced tools in sustainable energy storage and hydrogen technology research. By expanding the capabilities of OpenFOAM®, it offers a powerful platform for researchers and engineers to explore and develop innovative solutions within the hydrogen economy.