Multiscale Multiphysics Transport and Reaction Phenomena within SOFCs

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Multiscale Multiphysics Transport and Reaction Phenomena within SOFCs Martin Andersson, Department of Energy Sciences, Lund University

Agenda Introduction to Fuel Cells Background Multiscale Modeling Mathematical Model (Continuum scale model) Results (Continuum scale model) Conclusions (Continuum scale model)

Introduction - To Fuel Cells The principle dates back to 1838/39 Fuel is directly converted to electrical energy and heat Environmental friendly (depending on fuel used) Outstanding electrical efficiency (also for small systems) Fuel cells are expected to be a key component in a future sustainable energy system Strategic niche markets will be important for commercialization Space applications Leisure applications APUs

Introduction - The SOFC

Chemistry and Transport Phenomena to be Understood across Disparate Length Scales SOFC LU/China, NIMTE, 2010 5 5

Multiphyisics modeling

Why we need multiscale modeling Ref [K. Grew, W. Chiu, J. Power Sources 199 (2012) 1-13]

Multiscale modeling – Nobel Prize Professor Arieh Warshels work with multiscale models describing complex chemical system (with focus on Proteins was awarded the Nobel Price in 2013. The interest for multiscale modeling is expected to increase.

“NIMTE Standard” Ni-YSZ Supported Cell 28 % porosity 4x4 cm active area

Mathematical Model - Geometry

Mathematical Model Momentum transport Continuous equation for the porous material and electrodes Mass transport [O2/N2 + H2/H2O(CH4/CO/CO2)] Maxwell-Stefan equation, incl. Knudsen diffusion Heat transport LTE approach Conductivity in solid phase Conductivity and convection in gas phase

Mathematical Model Assumptions: 3D Fuel utilization: 76 % Oxygen utilization: 9 % Cell voltage: 0.7 V Co-flow Fuel defined as 90 % (mole) hydrogen and 10 % water Inlet temperature: 1000 K

Results – Hydrogen and Oxygen Distribution

Results – Oxygen Distribution

Results – Temperature

Results – Current density

Results – Activation polarization

Results – Concentration polarization

Results – Electric Potential

Results – Electron Current Density

Conclusion The uniqueness of the FEM model presented in this paper is the high current density spots The current density increases along the main flow direction. The increase limited due to consumption of electrochemical reactants The significant oxygen mole fraction and electron current density gradient in the direction normal to the main flow direction, caused by the relatively thin cathode (in comparison to the anode), is revealed.

Future work Couple continuum scale and microscale models (SOFC) Phase change and bubble behavior in PEMFC porous material

Acknowledgements Swedish Research Council (VR-621-2010-4581) European Research Council (ERC-226238-MMFCs)