Modeling and simulation supporting the application of fuel cell & hydrogen technologies

Abstract This work aims to demonstrate the importance and usefulness of multiscale computational approaches and tools, as well as of reliable input data and verification procedures for fuel cells & hydrogen (FCH) technology applications. For that purpose, three typical case studies on the use of simulation models/tools at various scales for specific applications are examined. More specifically, these cases concern:  (i) the optimization of materials design for Fuel Cells via a novel process-based methodology; particularly the stochastic reconstruction and accurate characterization of carbon fiber-based matrices, which are commonly used as Gas Diffusion Layers (GDL) in Proton Exchange Membrane Fuel Cells. The computational approach employs a rigorous model simulating the spatial distribution of the graphitized resin that is typically used to enhance the structural properties and thermal/electrical conductivities of the composite GDL materials;  (ii) the investigation of hydrogen safety related issues and scenarios, where characteristic examples of Computational Fluid Dynamics (CFD) studies and associated benchmarking activities in particular applications are presented;  (iii) the optimization of hybrid Renewable Energy (RE) – hydrogen systems at real scale in remote/isolated communities like off-grid islands where cost effectiveness with regard to the produced energy is a critical factor. Besides the scientific and technical aspects, we would like through these examples to stress how complementarities and synergies between numerical and experimental research can greatly assist in closing knowledge gaps & developing innovative designs, and may contribute toward defragmentation of relevant efforts, more effective collaboration between researchers and provision of validated simulation tools.