An Effectiveness Model for Predicting

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COMBUSTION ENGINEERING
Volume 80, Issue 4, Pages (April 2001)
Presentation transcript:

An Effectiveness Model for Predicting The Electrochemical Performance of SOFC Electrodes Jin Hyun Nam1,*, Dongwoo Shin2 1School of Mechanical & Automotive Engineering, Daegu University, KOREA 2School of Mechanical & Aerospace Engineering, Seoul National University, KOREA Research Background & Objectives Conventional electrode microscale models are difficult to be incorporated with large-scale macroscale calculations and computational fluid dynamics (CFD) Too many grid points are required for capturing the reaction/transport process in mixed ionic-electronic conducting (MIEC) electrodes Computational costs are also high due to this fine grid allocation  Research Background  Objectives Development of an efficient and accurate method to determine the current generation in thin active reaction layers Using the fewest grid points to speed up computation  Validation Compared the predicted current generation in active reaction layer Effectiveness model results were obtained simply using Eq. (★) Electrode microscale model results were obtained with 400 grid points in the layer Good agreement is obtained, ensuring the accuracy of the effectiveness model Fig. 3 Comparison of total current generation in active reaction layers, predicted by the effectiveness model and electrode microscale model Theory and Calculations Fig. 1 Electrochemical reaction/ charge transport process in anode functional layer  Active Reaction Layer Also called the active functional layer Located just adjacent to the electrolyte, where most electrochemical reactions occur Made of fine electronic & ionic particles to provide large three-phase boundaries (TPBs) Usually made very thin (10-20 µm) and dense (porosity ~0.25) for multi-layer electrodes  Basic Assumptions (Ideal Process) The operating condition inside the active reaction layer is uniform due to small thickness (Uniform temperature, pressure, species concentration) Electron conduction is fast due to high electronic conductivity (Uniform electronic potential) Symmetric Butler-Volmer reaction kinetics at TPBs For AFL, overpotential  is defined: Charge conservation Boundary conditions Effectiveness factor Main parameters k = 1 for anodic, 2 for cathodic reaction  Governing Equations for Reaction/Transport Problem Prediction Model for Electrode Microstructure Variation  Peculiar Behavior of Relative Effectiveness As T  0, the relative effectiveness approaches 1.0 For T>3, the shape of the relative effectiveness does not change These behavior leads to the following asymptotic relationship Low modulus (T 0.05) High modulus (T  3)  Total Current Generation in Active Reaction Layer Table 1 Dependency of total current generation in active reaction layer on microstructural parameters  Numerical Experiment: Microstructural Degradation Degradations of volume-specific TPBL and effective ionic conductivity were simulated Guiding lines drawn by only scaling the undegraded (100%) performance curves Fig. 4 Anode degradation simulation results Fig. 5 Cathode degradation simulation results Current generation in the anode is nicely predicted by That in the cathode is relatively well predicted, especially at high overpotential Further studies are under way to determine the dependence for 0.05<T<3 Higher overpotential range (0-0.4 V) () irrespective of overpotential () Electrochemical Effectiveness Model Fig. 2 Relative effectiveness factors: Data and correlation curves  Effectiveness Data The governing equation is solved with 2000 uniform grid points for various conditions The obtained effectiveness factor is decomposed and summarized as follows Total current generated in active react. layer(★) Effectiveness factor decomposition Thiele modulus Base effectiveness at zero overpotential Relative effectiveness at finite overpotential Dimensionless overpotential  Relative Effectiveness The relative effectiveness decreases from 1.0 towards 0.0 with overpotential For T>3, the relative effectiveness converges into a single functional curve A simple correlation equation is devised to retrieve the relative effectiveness Less than 1% error at normal conditions T a b c d 4 1.1199 0.7876 1.1332 0.3922 3 1.1208 0.7925 1.1392 0.3946 2.5 1.1241 0.8060 1.1504 0.4013 2 1.1286 0.8333 1.1858 0.4148 1.8 1.1318 0.8540 1.2152 0.4250 1.6 1.1337 0.8789 1.2631 0.4372 1.4 0.9098 1.3394 0.4522 1.2 1.1336 0.9564 1.4624 0.4756 1 1.1245 1.0010 1.6579 0.4976 0.8 1.1068 1.0469 1.9636 0.5203 0.7 1.0944 1.0684 2.1755 0.5310 0.6 1.0798 1.0864 2.4384 0.5399 0.5 1.0634 1.1002 2.7681 0.5464 0.4 1.0467 1.1089 3.1882 0.5503 0.3 1.0304 1.1107 3.7422 0.5500 0.2 1.0162 1.1030 4.5285 0.5433 0.15 1.0102 5.0856 0.5363 0.1 1.0053 1.0783 5.8603 0.5224 0.07 1.0028 1.0621 6.5305 0.5069 0.05 1.0016 1.0479 7.1565 0.4910 Contact information * Corresponding author. jinhnam@gmail.com (J.H. Nam). Conclusion An electrochemical effectiveness model is developed for efficient determination of current generated in active reaction layers of solid oxide fuel cells (SOFCs) The accuracy of the electrochemical effectiveness model is validated A theoretical prediction model is also proposed for the effects of microstructural parameter variation on the current generation performance