Multi-Physics HPC Simulations for PEM Fuel Cell with the Open-Source Code TRUST

Abstract

Numerical simulations for PEMFC (Proton Exchange Membrane Fuel Cell) for understanding and co-optimization of designs (bipolar plate with MEA (Membrane Electrode Assembly)) play a key role to achieve the objective of cost reduction for PEMFC. To improve the overall simulation of PEMFC used for the design validation step of the bipolar plates, very detailed physical mechanisms are included in the PEMFC models in order to describe the main electrochemical and transport mechanisms (local 2D models) [1]. Present limitation of these approaches is that they are difficult to integrate in higher scale simulations, in terms of geometry. Pseudo 3D models allow to integrate the real geometry of the bipolar plate, but with reduction in term of meshing and physics [2]. To go further, the objectives are: i/ to perform reference simulations with no compromise (in term of geometry and physics); ii/ to promote multi-physics model with open-source code, to the international community. TRUST platform is used. The platform TRUST-FC is built on the CEA/DEN thermohydraulic TRUST framework. This C++ framework is an open-source software package of Computational Fluid Dynamics (CFD) which supports massively parallel computations with a distributed memory model (MPI) [3]. TRUST-FC contains physical models for gas, liquid, electron, ion transport and heat transfer. A model of anisotropic heat conduction is developed in TRUST-FC for taking into account the in-plane and through-plane anisotropic conductivity according to the real deformation of the gas diffusion layer (GDL) by the bipolar plate in the mechanical assembly. The multi-scale modelling framework for solving PEMFC specific physics are also developed: electrochemical reactions, multi-components gas transport in porous media for GDL and catalyst layer, coupling of free flow with porous media flow [2]. The used physical models are validated on the CEA-LITEN multi-physics and multi-scale simulation platform MUSES built on Comsol Multiphysic [1-2] and the experimental measurements [4]. TRUST-FC advantages are the robust numerical methods and the massive parallelism that allows to simulate coupled multi-physics phenomena on large scale domains. TRUST-FC can currently simulate a real CAD design containing tens millions of elements and numerous state variables in a few hours on cluster. SALOME is used as the meshing and visualization tool [5]. A full simulation on a design of bipolar plate with the MEA is presented (Fig.: temperature profile on the bipolar plate, with the coupling of flow cooling and heat production of the reactions) and discussed and compared to pseudo 3D simulations on Comsol Multiphysics. [1] Randrianarizafy B., Schott P., Chandesris M., Gerard M. and Bultel Y. Design optimization of rib/channel patterns in a PEMFC through performance heterogeneities modelling. Int. J. Hydrogen Energy, 43(18):8907 8926, (2018) [2] Nandjou F.,Poirot-Crouvezier J.-P.,Chandesris M. and Bultel Y.A pseudo-3D model to investigate heat and water transport in large area fPEMg fuel cells - Part 1: Model development and validation. Int. J. Hydrogen Energy, 41(34):15545-15561, (2016) [3] https://sourceforge.net/projects/trust-platform/[4] Robin C., Gerard M., d'Arbigny J., Schott P., Jabbour L. and Bultel Y. Development and experimental validation of a PEM fuel cell 2D-model to study heterogeneities effects along large-area cell surface. Int. J. Hydrogen Energy, 40(32):10211-10230, (2015) [5] https://www.salome-platform.org/ Figure 1