Conference February 11, 12 h. ITQ: Robert J. Kee from Colorado School of Mines EUA

Modeling the steady-state and transient response of polarized and non-polarized proton-conducting doped-perovskite membranes

Robert J. Kee, Huayang Zhu, Einar Vøllestad, Michael D. Sanders, Ryan P. O’Hayre

Next Monday, 11th February at 12h at the Salón de Actos of the ITQ, it will be a conference related to Modeling the steady-state and transient response of polarized and non-polarized proton-conducting doped-perovskite membranes

This presentation develops and demonstrates a model representing radial defect transport through proton-conducting ceramic membranes, such as might be used in shell-and-tube type membrane reactors.

The model uses a Nernst–Planck–Poisson (NPP) formulation and is designed to represent both steady-state and transient responses within mixed-conducting membranes with multiple charge-carrying defects.

The partial differential equations, representing defect and charge conservation, are solved computationally using the method-of-lines in a differential-algebraic setting. Several example problems are solved and discussed, illustrating important aspects of the model. Additionally the presentation discusses recent approaches to establish needed physical properties and parameters.

Robert J. Kee


  • George R. Brown Distinguished Professor of Engineering, Colorado School of Mines, 1996-Present
  • Manager, Thermal and Plasma Processes Department, Sandia National Laboratories, 1985-1996
  • Supervisor, Applied Mathematics Division, Sandia National Laboratories, 1976-1985
  • Member of Technical Staff, Sandia National Laboratories, 1970-1975 Research


Dr. Kee’s research efforts are primarily in the modeling and simulation of thermal and chemically reacting flow processes, with applications to combustion, electrochemistry, and materials manufacturing. His fuel-cell research concentrates on elementary chemistry and electrochemistry formulations and their coupling with reactive fluid flow. Primary applications are to solid-oxide fuel cells operating on hydrocarbon fuels. Recent efforts are concerned with fundamental chemistry and transport in rechargeable batteries. His combustion research emphasizes the use of elementary chemical kinetics to understand fundamental flame structure. Recent research includes catalytic combustion, hydrocarbon reforming, and flame-droplet interactions. The materials-processing efforts emphasize the design, optimization, and control of chemical-vapor-deposition processes, with applications ranging from thin-film photovoltaics to CMOS semiconductor devices. All the research includes development of numerical methods and software to solve systems of stiff differential equations. Prof. Kee has published nearly 200 archival papers documenting his research. Textbook R.J. Kee, M.E. Coltrin, and P. Glarborg, Chemically Reacting Flow: Theory and Practice, Wiley, 2003 Software Prof. Kee is the principal architect and developer of the CHEMKIN software, which is the leading software package used worldwide for simulating chemically reacting flow. Representative

Recent Publications
A.M. Colclasure and R.J.Kee, “Thermodynamically consistent modeling of elementary electrochemistry in lithium-ion batteries,” Electrochima Acta, 55:8960–8973 (2010)

G.M. Goldin, A.M. Colclasure, A.H. Wiedemann, and R.J. Kee, “Three-dimensional particle-resolved models of Li-ion batteries to assist the evaluation of empirical parameters in one-dimensional models,” Electrochim. Acta, 64:118ß129 (2012).

A.M. Colclasure, K.A. Smith, and R.J. Kee, “Modeling detailed chemistry and transport for solid-electrolyte-interface (SEI) films in Li–ion batteries,” Electrochimica Acta, 58:33-43 (2011).

R.J. Kee, B.B. Almand, J.M. Blasi, B.L. Rosen, M. Hartmann, N. P. Sullivan, H. Zhu, A.R. Manerbino, S. Menzer, W.G. Coors, J.L. Martin, “The design, fabrication, and evaluation of a ceramic counter-flow microchannel heat exchanger,” Appl. 2 Thermal Engr., 31:2004-1012 (2011).

C. Moyer, N.P. Sullivan, H. Zhu, R.J. Kee, “Polarization characteristics and chemistry in reversible tubular solid-oxide cells operating on mixtures of H2, CO, H2O, and CO2,” J. Electrochem. Soc., 158:B517-B131 (2011).

A.M. Colclasure, B. Sanadaji, T. Vincent, R.J. Kee, “Modeling and control of tubular solid-oxide fuel cell systems. I: Physical models and linear model reduction,” J. Power Sources, 196:196-207 (2011).

B. Sanadaji, T. Vincent, A.M. Colclasure, R.J. Kee, “Modeling and control of tubular solid-oxide fuel cell systems. II: Nonlinear model reduction and model predictive control,” J. Power Sources, 196:208-217 (2011).

R.J. Kee, B.L. Kee, J.L. Martin, “Radiative and convective heat transport within tubular solid-oxide fuel-cell stacks.” J. Power Sources, 195:6688-6698 (2010).

J. Sanyal, G.M. Goldin, H. Zhu, R.J. Kee, “A particle-based model for predicting the effective conductivities of composite electrodes,” J. Power Sources, 195:6671-6679 (2010).

M. Pillai, Y. Lin, H. Zhu, R.J. Kee, S.A. Barnett, “Stability and coking of direct-methane solid oxide fuel cells: Effect of CO2 and air additions,” J. Power Sources, 195:271-279 (2010).

D. Chen, Z. Lin, H. Zhu, R.J. Kee, “Percolation theory to predict effective properties of solid oxide fuel cell composite electrodes,” J. Power Sources, 191:240-252 (2009).

G.M. Goldin, H. Zhu, R.J. Kee, D. Bierschenk, and S.A. Barnett, “Multidimensional flow, thermal, and chemical behavior in SOFC button cells,” J. Power Sources, 187:123-135 (2009).

D.G. Goodwin, H Zhu, A.M. Colclasure, and R.J. Kee, “Modeling electrochemical oxidation of hydrogen on Ni–YSZ pattern anodes,” J. Electrochem. Soc., 156:B1004-B1021 (2009).

D. Storjohann, J. Daggett, N.P. Sullivan, H. Zhu, R.J. Kee, S. Menzer, and D. Beeaff, “Fabrication and evaluation of solid-oxide fuel cell anodes employing reaction-sintered yttria-stabilized zirconia,” J. Power Sources, 193:706-712 (2009).


  • The Silver Medal of the Combustion Institute, 1990
  • The Bastress Award for Outstanding Contributions to Technology Transfer, 1991
  • DOE Basic Energy Sciences, Materials Science, Award for Sustained Outstanding Research in Materials Chemistry, 1992
  • Springer Professor, Mechanical Engineering, University of California, Berkeley, Spring 2003
  • Dean’s Award for Excellence in Research and Teaching, CSM, 2004