The effect of coupled mass transport and internal reforming on modeling of solid oxide fuel cells part I: Channel-level model development and steady-state comparison

Abstract Dynamic modeling and analysis of solid oxide fuel cell systems can provide insight towards meeting transient response application requirements and enabling an expansion of the operating envelope of these high temperature systems. SOFC modeling for system studies are accomplished with channel-level interface charge transfer models, which implement dynamic conservation equations coupled with additional submodels to capture the porous media mass transport and electrochemistry of the cell. Many of these models may contain simplifications in order to decouple the mass transport, fuel reforming, and electrochemical processes enabling the use of a 1-D model. The reforming reactions distort concentration profiles of the species within the anode, where hydrogen concentration at the triple-phase boundary may be higher or lower than that of the channel altering the local Nernst potential and exchange current density. In part one of this paper series, the modeling equations for the 1-D and ’quasi’ 2-D models are presented, and verified against button cell electrochemical and channel-level reforming data. Steady-state channel-level modeling results indicate a ’quasi’ 2-D SOFC model predicts a more uniform temperature distribution where differences in the peak cell temperature and maximum temperature gradient are experienced. The differences are most prominent for counter-flow cell with high levels of internal reforming. The transient modeling comparison is discussed in part two of this paper series.

[1]  Ellen Ivers-Tiffée,et al.  Internal Reforming Kinetics in SOFC-Anodes , 2010 .

[2]  Andrew M. Colclasure,et al.  Modeling Electrochemical Oxidation of Hydrogen on Ni–YSZ Pattern Anodes , 2009 .

[3]  S. Barnett,et al.  Direct operation of solid oxide fuel cells with methane fuel , 2005 .

[4]  Steffen Tischer,et al.  A novel approach to model the transient behavior of solid-oxide fuel cell stacks , 2012 .

[5]  J. Lapujoulade,et al.  Chemisorption of Hydrogen on the (111) Plane of Nickel , 1972 .

[6]  T. Takagi,et al.  Kinetic studies of the reaction at the nickel pattern electrode on YSZ in H2H2O atmospheres , 1994 .

[7]  S. Neophytides,et al.  Intrinsic Kinetics of the Internal Steam Reforming of CH4 over a Ni−YSZ−Cermet Catalyst−Electrode , 2000 .

[8]  A. Chaisantikulwat,et al.  Dynamic modelling and control of planar anode-supported solid oxide fuel cell , 2008, Comput. Chem. Eng..

[9]  K. Ahmed,et al.  Kinetics of internal steam reforming of methane on Ni/YSZ-based anodes for solid oxide fuel cells , 2000 .

[10]  P. Kazempoor,et al.  Model validation and performance analysis of regenerative solid oxide cells: Electrolytic operation , 2014 .

[11]  R. Kee,et al.  A generalized model of the flow distribution in channel networks of planar fuel cells , 2002 .

[12]  G. Froment,et al.  Methane steam reforming, methanation and water‐gas shift: I. Intrinsic kinetics , 1989 .

[13]  Bengt Sundén,et al.  Review on modeling development for multiscale chemical reactions coupled transport phenomena in solid oxide fuel cells , 2010 .

[14]  E. Ivers-Tiffée,et al.  Kinetics of (reversible) internal reforming of methane in solid oxide fuel cells under stationary and APU conditions , 2010 .

[15]  Vinod M. Janardhanan,et al.  Non-commercial Research and Educational Use including without Limitation Use in Instruction at Your Institution, Sending It to Specific Colleagues That You Know, and Providing a Copy to Your Institution's Administrator. All Other Uses, Reproduction and Distribution, including without Limitation Comm , 2022 .

[16]  A. Virkar,et al.  Fuel Composition and Diluent Effect on Gas Transport and Performance of Anode-Supported SOFCs , 2003 .

[17]  Connor J. Moyer,et al.  Polarization Characteristics and Chemistry in Reversible Tubular Solid-Oxide Cells Operating on Mixtures of H2, CO, H2O , and CO2 , 2011 .

[18]  W. Lehnert,et al.  Structural properties of SOFC anodes and reactivity , 1998 .

[19]  W. Minkowycz,et al.  Performance comparison of the mass transfer models with internal reforming for solid oxide fuel cell anodes , 2012 .

[20]  Vinod M. Janardhanan,et al.  Modeling Elementary Heterogeneous Chemistry and Electrochemistry in Solid-Oxide Fuel Cells , 2005 .

[21]  Norman Epstein,et al.  On tortuosity and the tortuosity factor in flow and diffusion through porous media , 1989 .

[22]  D. Favrat,et al.  The Effects of Dynamic Dispatch on the Degradation and Lifetime of Solid Oxide Fuel Cell Systems , 2019, ECS Transactions.

[23]  M. H. Hamedi,et al.  A 2D transient numerical model combining heat/mass transport effects in a tubular solid oxide fuel cell , 2009 .

[24]  R. Reid,et al.  The Properties of Gases and Liquids , 1977 .

[25]  V. Dorer,et al.  Response of a planar solid oxide fuel cell to step load and inlet flow temperature changes , 2011 .

[26]  Anil V. Virkar,et al.  A Model for Solid Oxide Fuel Cell (SOFC) Stack Degradation , 2007, ECS Transactions.

[27]  C. Adjiman,et al.  Anode-supported intermediate temperature direct internal reforming solid oxide fuel cell. I: model-based steady-state performance , 2004 .

[28]  R. Dittmeyer,et al.  Catalytic modification of conventional SOFC anodes with a view to reducing their activity for direct internal reforming of natural gas , 2006 .

[29]  B. Maribo-Mogensen,et al.  Internal Steam Reforming in Solid Oxide Fuel Cells , 2008 .

[30]  Biao Huang,et al.  Dynamic modeling of solid oxide fuel cell: The effect of diffusion and inherent impedance , 2005 .

[31]  E. Riensche,et al.  Methane/steam reforming kinetics for solid oxide fuel cells , 1994 .

[32]  Lin Ma,et al.  Comparison of the multicomponent mass transfer models for the prediction of the concentration overpotential for solid oxide fuel cell anodes , 2010 .

[33]  Fathollah Ommi,et al.  Modelling and Performance Evaluation of Solid Oxide Fuel Cell for Building Integrated Co‐ and Polygeneration , 2010 .

[34]  Robert T. Rozmiarek,et al.  Effect of nickel microstructure on methane steam-reforming activity of Ni–YSZ cermet anode catalyst , 2008 .

[35]  D. Favrat,et al.  Electrochemical Model of Solid Oxide Fuel Cell for Simulation at the Stack Scale II: Implementation of Degradation Processes , 2011 .

[36]  E. A. Mason,et al.  Gas Transport in Porous Media: The Dusty-Gas Model , 1983 .

[37]  Biao Huang,et al.  Dynamic modeling of a finite volume of solid oxide fuel cell: The effect of transport dynamics , 2006 .

[38]  Tyrone L. Vincent,et al.  Modeling and control of tubular solid-oxide fuel cell systems: II. Nonlinear model reduction and model predictive control , 2011 .

[39]  Tyrone L. Vincent,et al.  Modeling the Steady-State and Dynamic Characteristics of Solid-Oxide Fuel Cells , 2012 .

[40]  O. Deutschmann,et al.  Methane reforming kinetics within a Ni–YSZ SOFC anode support , 2005 .

[41]  R. Peters,et al.  Internal reforming of methane in solid oxide fuel cell systems , 2002 .

[42]  Y. Matsuzaki,et al.  Relationship between the steady-state polarization of the SOFC air electrode, La0.6Sr0.4MnO3+δ/YSZ, and its complex impedance measured at the equilibrium potential , 1999 .

[43]  Fabian Mueller,et al.  Dynamic modeling and evaluation of solid oxide fuel cell – combined heat and power system operating strategies , 2009 .

[44]  Vincent Heuveline,et al.  Performance analysis of a SOFC under direct internal reforming conditions , 2007 .

[45]  Robert J. Kee,et al.  Importance of Anode Microstructure in Modeling Solid Oxide Fuel Cells , 2008 .

[46]  B. Sundén,et al.  Analysis of chemically reacting transport phenomena in an anode duct of intermediate temperature SOFCs , 2006 .

[47]  Fabian Mueller,et al.  Dynamic Simulation of an Integrated Solid Oxide Fuel Cell System Including Current-Based Fuel Flow Control , 2005 .

[48]  Nigel P. Brandon,et al.  Anode-supported intermediate-temperature direct internal reforming solid oxide fuel cell. II. Model-based dynamic performance and control , 2005 .

[49]  G. Froment,et al.  Methane steam reforming: II. Diffusional limitations and reactor simulation , 1989 .

[50]  C. Adjiman,et al.  Comparison of two IT DIR-SOFC models: Impact of variable thermodynamic, physical, and flow properties. Steady-state and dynamic analysis , 2005 .

[51]  Andrew Dicks,et al.  Intrinsic reaction kinetics of methane steam reforming on a nickel/zirconia anode , 2000 .

[52]  D. Leung,et al.  Importance of pressure gradient in solid oxide fuel cell electrodes for modeling study , 2008 .

[53]  Alexandra M. Newman,et al.  Evaluating shortfalls in mixed-integer programming approaches for the optimal design and dispatch of distributed generation systems , 2013 .

[54]  E. Iglesia,et al.  Isotopic and kinetic assessment of the mechanism of reactions of CH4 with CO2 or H2O to form synthesis gas and carbon on nickel catalysts , 2004 .

[55]  R. Kee,et al.  Multidimensional flow, thermal, and chemical behavior in solid-oxide fuel cell button cells , 2009 .

[56]  Tyrone L. Vincent,et al.  Modeling and control of tubular solid-oxide fuel cell systems. I: Physical models and linear model reduction , 2011 .

[57]  E. Achenbach Three-dimensional and time-dependent simulation of a planar solid oxide fuel cell stack , 1994 .

[58]  R. Kee,et al.  Modeling Distributed Charge-Transfer Processes in SOFC Membrane Electrode Assemblies , 2008 .

[59]  Daniel Favrat,et al.  Simulation of thermal stresses in anode-supported solid oxide fuel cell stacks. Part I: Probability of failure of the cells , 2009 .

[60]  M. Fowler,et al.  Performance comparison of Fick’s, dusty-gas and Stefan–Maxwell models to predict the concentration overpotential of a SOFC anode , 2003 .