George R. Brown Distiguished Professor

 
 

Engineering Division
Colorado School of Mines
Golden, CO 80401

Office: BB-306
Tel: (303) 273-3379
rjkee@mines.edu
 
home bio research publications chemkin classes

Recent Publications

H. Zhu, R.J. Kee, V. Janardhanan, O. Deutschmann, N.P. Sullivan, and D.G. Goodwin. The Influence of Heterogeneous Reforming Chemistry within Solid-Oxide Fuel Cell Anodes, Submitted, 2003.

R.W. Sidwell, H. Zhu, B.A. Kibler, R.J. Kee, and D.T. Wickham. Experimental Investigation of the Activity and Thermal Stability of Hexaaluminate Catalysts for Lean Methane-Air Combustion. Appl. Catal. A, 2003.

H. Zhu and R.J. Kee. A General Mathematical Model for Analyzing the Performance of Fuel-Cell Membrane-Electrode Assemblies. J. of Power Sources, 117:61-74, 2003.

R.W. Sidwell, H. Zhu, R.J. Kee, and D.T. Wickham. Catalytic Combustion Of Premixed Methane-Air on a High Temperature Hexaluminate Stagnation Surface. Combust & Flame, 134:55-66, 2003.

W. Yang, T. Parker, H.D. Ladouceur, and R.J. Kee. The Interaction of Thermal Radiation and Water Mists in Fire Suppression. Fire Safety Journal, 39:41-66, 2003.

K.M. Walters, A.M. Dean, H. Zhu, and R.J. Kee. Homogeneous Kinetics and Equilibrium Predictions of Coking Propensity in the Anode Channels of Direct Oxidation Solid-Oxide Fuel Cells using Dry Natural Gas. J. Power Sources, 123:182-189, 2003.

R.J. Kee, P. Korada, K.~Walters, and M.~Pavol. A Generalized Model of the Flow Distribution in Channel Networks of Planar Fuel Cells. J. Power Sources, 109:148-159, 2002.

R.J. Kee, W. Yang, N. Sullivan, A.M. Dean, A. Zojaji, M. Hall, and M. Williams. The Formation of Ultra-Thin Silicon-Oxide Films Using H2-N2O Mixtures. Proc. Combust. Inst., 29:1055-1062, 2002.

W. Yang and R.J. Kee. The Effect of Monodispersed Water Mists on the Structure, Burning Velocity, and Extinction Behavior of Freely Propagating, Stoichiometric, Premixed, Methane-Air Flames. Combust & Flame, 130:329-335, 2002.

N. Sullivan, A. Jensen, P. Glarborg, M. Day, J. Grcar, J. Bell, C. Pope, and R.J. Kee. NOx Formation and Ammonia Conversion in Laminar Coflowing Nonpremixed Methane-Air Flames. Combust & Flame, 131:285-298, 2002.

R.W. Sidwell, H. Zhu, R.J. Kee, D.T. Wickham, C. Schell, and G.S. Jackson. Catalytic Combustion of Premixed Methane-Air on a Palladium-Substituted Hexaluminate Stagnation Surface. Proc. Combust. Inst., 29:1013-1020, 2002.

S.P. Fuss, E.F. Chen, W. Yang, R.J. Kee, B.A. Williams, and J.W. Fleming. Inhibition of Premixed Methane-Air Flames by Water Mist. Proc. Combust. Inst., 29:361-368, 2002.

N. Sullivan, L.L. Raja, R.J. Kee, Y. Yokota, and M. Williams. Exploring In-Situ Steam Generation (ISSG) Process Space. In 9th Intl. Conf. on Advanced Thermal Processing of Semiconductors, pages 95-114, Anchorage, AK, 2001.

J.P. Delplanque and R.J. Kee. Learning Differential-Equation Aspects of Fluid Mechanics with Spreadsheet-Facilitated Computational Fluid Dynamics. In Proceedings of the 2001 American Society for Engineering Education Annual Conference. American Society for Engineering Education, 2001.

L.L. Raja, R.J. Kee, R. Serban, and L.R. Petzold. Computational Algorithm for Dynamic Optimization of Chemical Vapor Deposition Processes in Stagnation Flow Reactors. J. Electrochem. Soc., 147(7):2718-2726, 2000.

J.M. Kestner, C.A. Wolden, P.V. Meyers, L.L. Raja, and R.J. Kee. Atmospheric Pressure Chemical Vapor Deposition of CdTe Films - First PV Devices.
In Proceedings of the Twenty-sixth IEEE Photovoltaics Specialists Conference, pages 595-598. IEEE, 2000.

R.J. Kee, W.H. Yang, L.L. Raja, and C.A. Wolden. The Influence of Pressure, Fluid Flow, and Chemistry on the Combustion-Based Oxidation of Silicon. Proc. Combust. Inst., 28:1381-1388, 2000.

L.L. Raja, R.J. Kee, O.Deutschmann, J.Warnatz, and L.D. Schmidt. A Critical Evaluation of Navier-Stokes, Boundary-Layer, and Plug-Flow Models of the Flow and Chemistry in a Catalytic-Combustion Monolith. Catalysis Today, 59:47-60, 2000.

H.G. Im, L.L. Raja, R.J. Kee, and L.R. Petzold. A Numerical Study of Transient Ignition in a Counterflow Nonpremixed Methane-Air Flame using Adaptive Time Integration. Combust. Sci. Tech., 158:341-364, 2000.

Book

R.J. Kee, M.E. Coltrin, and P. Glarborg. Chemically Reacting Flow: Theory and Practice. John Wiley, New York, 2003.

Software

R.J. Kee, J.A. Miller, and T.H. Jefferson. CHEMKIN: A General-Purpose, Problem-Independent, Transportable, Fortran Chemical Kinetics Code Package. Technical Report SAND80-8003, Sandia National Laboratories, 1980.

R.E. Mitchell and R.J. Kee. A General Purpose Computer Code for Predicting Chemical Kinetic Behavior Behind Incident and Reflected Shocks. Technical Report SAND82-8205, Sandia National Laboratories, 1982.

M.A. Kramer, J.M. Calo, H.Rabitz, and R.J. Kee. AIM: The Analytically Integrated Magnus Method for Linear and Second Order Sensitivity Coefficients. Technical Report SAND82-8231, Sandia National Laboratories, 1982.

M.A. Kramer, R.J. Kee, and H.Rabitz. CHEMSEN: A Computer Code for Sensitivity Analysis of Elementary Chemical Reaction Models. Technical Report SAND82-8230, Sandia National Laboratories, 1982.

R.J. Kee, J.Warnatz, and J.A. Miller. A FORTRAN Computer Code Package for the Evaluation of Gas-Phase Viscosities, Conductivities, and Diffusion Coefficients. Technical Report SAND83-8209, Sandia National Laboratories, 1983.

R.J. Kee, J.F. Grcar, M.D. Smooke, and J.A. Miller. A Fortran Program for Modeling Steady Laminar One-Dimensional Premixed Flames. Technical Report SAND85-8240, Sandia National Laboratories, 1985.

R.J. Kee, G.Dixon-Lewis, J.Warnatz, M.E. Coltrin, and J.A. Miller. A Fortran Computer Code Package for the Evaluation of Gas-Phase Multicomponent Transport Properties. Technical Report SAND86-8246, Sandia National Laboratories, 1986.

P.Glarborg, R.J. Kee, J.F. Grcar, and J.A. Miller. PSR: A Fortran Program for Modeling Well-Stirred Reactors. Technical Report SAND86-8209, Sandia National Laboratories, 1986.

A.E. Lutz, R.J. Kee, and J.A. Miller. SENKIN: A Fortran Program for Predicting Homogeneous Gas Phase Chemical Kinetics with Sensivity Analysis. Technical Report SAND87-8248, Sandia National Laboratories, 1987.

R.J. Kee, F.M. Rupley, and J.A. Miller. The Chemkin Thermodynamic Data Base. Technical Report SAND87-8215, Sandia National Laboratories, 1987.

R.J. Kee, F.M. Rupley, and J.A. Miller. CHEMKIN-II: A Fortran Chemical Kinetics Package for the Anlysis of Gas-Phase Chemical Kinetics. Technical Report SAND89-8009, Sandia National Laboratories, 1989.

M.E. Coltrin, R.J. Kee, and F.M. Rupley. SURFACE CHEMKIN: A Fortran Package for Analyzing Heterogeneous Chemical Kinetics at a Solid-Surface - Gas-Phase Interface. Technical Report SAND90-8003, Sandia National Laboratories, 1990.

M.E. Coltrin, R.J. Kee, G.H. Evans, E. Meeks, F.M. Rupley, and J.F. Grcar. SPIN: A Fortran Program for Modeling One-Dimensional Rotating-Disk/Stagnation-Flow Chemical Vapor Deposition Reactors. Technical Report SAND91-8003, Sandia National Laboratories, 1991.

H.K. Moffat, P. Glarborg, R.J. Kee, J.F. Grcar, and J.A. Miller. SURFACE PSR: A Fortran Program for Modeling Well Stirred Reactors with Gas and Surface Reactions. Technical Report SAND91-8001, Sandia National Laboratories, 1991.

M.E. Coltrin, H.K. Moffatt, R.J. Kee, and F.M. Rupley. CRESLAF: A Fortran Program for Modeling Laminar, Chemically Reacting, Boundary-Layer Flow in Cylindrical or Planar Channels. Technical Report SAND93-0478, Sandia National Laboratories, 1993.

E. Meeks, H.K. Moffat, J.F. Grcar, and R.J. Kee. AURORA: A Fortran Program for Modeling Well Stirred Plasma and Thermal Reactors with Gas and Surface Reactions. Technical Report SAND96-8218, Sandia National Laboratories, 1996.

R.J. Kee, F.M. Rupley, E. Meeks, and J.A. Miller. Chemkin-III: A Fortran Chemical Kinetics Package for the Analysis of Gas-Phase Chemical and Plasma Kinetics. Technical Report SAND96-8216, Sandia National Laboratories, 1996.

M.E. Coltrin, R.J. Kee, F.M. Rupley, and E. Meeks. Surface Chemkin-III: A Fortran Package for Analyzing Heterogeneous Chemical Kinetics at a Solid-Surface - Gas-Phase Interface. Technical Report SAND96-8217, Sandia National Laboratories, 1996.

A.E. Lutz, R.J. Kee, J.F. Grcar, and F.M. Rupley. OPPDIF: A Fortran Program for Computing Opposed-Flow Diffusion Flames. Technical Report SAND96-8243, Sandia National Laboratories, 1996.

Publications Before 2000

R.J. Kee, C.S. Landram, and J.C. Miles. Natural Convection of a Heat-Generating Fluid Within Closed Vertical Cylinders and Spheres. J. Heat. Trans, 98:55-61, 1976.

R.J. Kee and A.A. McKillop. A Numerical Method for Predicting Natural Convection in Horizontal Cylinders with Asymmetric Boundary Conditions. Computers and Fluids, 5:1-14, 1977.

J.A. Miller and R.J. Kee. Chemical Nonequilibrium Effects in Hydrogen-Air Laminar Jet Diffusion Flames. J. Phys. Chem., 81:2534-2542, 1977.

R.J. Kee and J.A. Miller. A Split-Operator, Finite-Difference Solution for Axisymmetric Laminar-Jet Diffusion Flames. AIAA J., 16:169-176, 1978.

H.A. Dwyer, R.J. Kee, and B.R. Sanders. Adaptive Grid Method for Problems in Fluid Mechanics and Heat Transfer. AIAA J., 18:1205-1212, 1978.

R.J. Kee and H.A. Dwyer. Review of Stiffness and Implicit Finite-Difference Methods in Combustion Modeling. Combustion in Reactive Systems, 76:485-500, 1981.

J.A. Miller, M.C. Branch, and R.J. Kee. A Chemical Kinetic Model for the Selective Reduction of Nitric Oxide by Ammonia. Combust. and Flame, 43:81-98, 1981.

M.C. Branch, R.J. Kee, and J.A. Miller. A Theoretical Investigation of Mixing Effects in the Selective Reduction of Nitric Oxide by Ammonia. Combust. Sci. and Tech., 29:147-165, 1982.

H.A. Dwyer, M.D. Smooke, and R.J. Kee. Adaptive Gridding for Finite Difference Solutions to Heat and Mass Transfer Problems. In J.F. Thompson, editor, Numerical Grid Generation, pages 339-356. North Holland, 1982.

J.A. Miller, R.E. Mitchell, M.D. Smooke, and R.J. Kee. Toward A Comprehensive Chemical Kinetic Mechanism for the Oxidation of Acetylene: Comparison of Model Predictions with Results from Flame and Shock Tube Experiments. Proc. Combust. Inst., 19:181-196, 1982.

M.D. Smooke, J.A. Miller, and R.J. Kee. Numerical Solution of Burner-Stabilized Pre-Mixed Laminar Flames by an Efficient Boundary Value Method. In Notes on Numerical Fluid Mechanics, volume~6. Friedr. Vieweg & Sohn, 1982.

M.D. Smooke, J.A. Miller, and R.J. Kee. Determination of Adiabatic Flame Speeds by Boundary Value Methods. Combust. Sci. and Tech., 34:79-90, 1983.

J.A. Miller, M.D. Smooke, R.M. Green, and R.J. Kee. Kinetic Modeling of the Oxidation of Ammonia in Flames. Combust. Sci. and Tech., 34:149-176, 1983.

M.E. Coltrin, R.J. Kee, and J.A. Miller. A Mathematical Model of the Coupled Fluid Flow and Chemical Kinetics in a Chemical Vapor Deposition Reactor. J. Electrochem. Soc., 131(2):425-434, 1984.

M.E. Coltrin, R.J. Kee, and J.A. Miller. A Mathematical Model of Silicon Chemical Vapor Deposition. In Ninth International Conference on CVD, page~31. The Electrochemical Society, 1984.

R.J. Kee and J.A. Miller. Computational Modeling of Flame Structure. Physics D, 12:198-211, 1984.

M.A. Kramer, H.Rabitz, J.M. Calo, and R.J. Kee. Sensitivity Analysis in Chemical Kinetics: Recent Developments and Computational Comparisons. Intl. J. Chem. Kin., 16:559-578, 1984.

G.Dixon-Lewis, T.David, P.H. Gaskell, S.Fukutani, H.Jinno, J.A. Miller, R.J. Kee, M.D. Smooke, N.Peters, E.Effelsberg, J.Warnatz, and F.Behrendt. Calculation of the Structure and Extinction Limit of a Methane-Air Counterflow Diffusion Flame in the Forward Region of a Porous Cylinder. Proc. Combust. Inst., 20:1893-1904, 1984.

R.J. Kee, L.R. Petzold, M.D. Smooke, and J.F. Grcar. Implicit Methods in Combustion and Chemical Kinetics Modeling. In J.U. Brackbill and B.I. Cohen, editors, Multiple Time Scales. Academic Press, 1985.

A.E. Lutz, R.J. Kee, and H.A. Dwyer. Ignition Modeling with Grid Adaption. International Colloquium on Gas Dynamics of Explosions and Reactive Systems, 10:78-92, 1985.

B.Raffel, J.Warnatz, H.Wolff, J.Wolfrum, and R.J. Kee. Thermal Ignition and Minimum Ignition Energy on Oxygen-Ozone Mixtures. International Colloquium on Gas Dynamics of Explosions and Reactive Systems, 10:335-346, 1985.

J.A. Miller, M.C. Branch, W.J. McLean, D.W. Chandler, M.D. Smooke, and R.J. Kee. On the Conversion of HCN to NO and N2 in H2-O2-HCN-Ar Flames at Low Pressure. Proc. Combust. Inst., 20:673, 1985.


J.F. Grcar, R.J. Kee, M.D. Smooke, and J.A. Miller. A Hybrid Newton/Time-Integration Procedure for the Solution of Steady, Laminar, One-Dimensional Premixed Flames. Proc. Combust. Inst., 21:1773-1782, 1986.

M.E. Coltrin, R.J. Kee, and J.A. Miller. A Mathematical Model of Silicon Chemical Vapor Deposition: Further Refinements and the Effects of Thermal Diffusion. J. Electrochem. Soc., 133(6):1206-1213, 1986.

P. Glarborg, R.J. Kee, and J.A. Miller. Kinetic Modeling and Sensitivity Analysis on Nitrogen Oxide Formation in Well Stirred Reactors. Combust. & Flame, 65:177, 1986.

R.J. Kee and J.A. Miller. A Structured Approach to the Computational Modeling of Chemical Kinetics and Molecular Transport in Flowing Systems. Springer Series in Chemical Physics, 47:196-221, 1986.

L.R. Thorne, M.C. Branch, D.W. Chandler, R.J. Kee, and J.A. Miller. Hydrocarbon-Nitric Oxide Interactions in Low Pressure Flames. Proc. Combust. Inst., 21:965-977, 1986.

N. Peters and R.J. Kee. The Computation of Stretched Laminar Methane-Air Diffusion Flames Using a Reduced Four-Step Mechanism. Combust. and Flame, 68:17-29, 1987.

R.J. Kee, G.H. Evans, and M.E. Coltrin. Application of Supercomputers to Modeling Fluid Transport and Chemical Kinetics in Chemical Vapor Deposition Reactors. In Supercomputer Research in Chemistry and Chemical Engineering, volume 353 of Americal Chemical Society, 1987.

M.E. Coltrin, R.J. Kee, G.H. Evans, and J.A. Miller. Theoretical Modeling of the Fluid Mechanics and Gas-Phase Chemistry in a Rotating-Disk Chemical Vapor Deposition Reactor. In Tenth International Conference on CVD, volume 87-8, pages 33-41. The Electrochemical Society, 1987.

R.J. Kee and L.R. Petzold. A Differential/Algebraic Equation Formulation of the Method-of-Lines Solution to Systems of Partial Differential Equations. In Advances in Computer Methods for Partial Differential Equations, VI, pages 38-43. IMACS, 1987.

R.J. Kee, J.A. Miller, G.H. Evans, and G. Dixon-Lewis. A Computational Model of the Structure and Extinction of Strained, Opposed-Flow, Premixed, Methane-Air Flames. Proc. Combust. Inst., 22:1479-1493, 1988.

A.E. Lutz, R.J. Kee, J.A. Miller, H.A. Dwyer, and A.K. Oppenheim. Dynamic Effects of Autoignition Centers for Hydrogen and C1,2-hydrocarbon Fuels. Proc. Combust. Inst., 22:1683-1693, 1988.

W.G. Breiland, P. Ho, M.E. Coltrin, R.J. Kee, and G.H. Evans. Laser Probes and Numerical Modeling as Process Diagnostics in Chemical Vapor Deposition. In MRS Symp. Proc., volume 117, page~23. Materials Research Society, 1988.

M.E. Coltrin, R.J. Kee, and G.H. Evans. A Mathematical Model of the Fluid Mechanics and Gas-Phase Chemistry in a Rotating Disk Chemical Vapor Deposition Reactor. J. Electrochem. Soc., 136(3):819-829, 1989.

M.E. Coltrin and R.J. Kee. A Mathematical Model of the Gas-Phase and Surface Chemistry in GaAs MOCVD. In MRS Symp. Proc., volume 145, page 119. Materials Research Society, 1989.

J.A. Miller, R.J. Kee, and C.K. Westbrook. Chemical Kinetics and Combustion Modeling. Annu. Rev. Phys. Chem., 41:345-387, 1990.

J.A. Miller, J.V. Volponi, J.L. Durant, J.E.M. Goldsmith, G.A. Fisk, and R.J. Kee.
The Structure and Reaction Mechanism of Rich, Non-Sooting C2H2/O2/Ar Flames. Proc. Combust. Inst., 23:187-195, 1990.

R.W. Bilger, S.H. Starner, and R.J. Kee. On Reduced Mechanisms for Methane-Air Combustion in Nonpremixed Flames. Combust. and Flame, 80:135-149, 1990.

R.E. Mitchell, R.J. Kee, P. Glarborg, and M.E. Coltrin. The Effect of CO Conversion in the Boundary Layers Surrounding Pulverized-Coal Char Particles. Proc. Combust. Inst., 23:1169-1176, 1990.

M.D. Allendorf and R.J. Kee. A Model of Silicon Carbide Chemical Vapor Deposition. J. Electrochem. Soc., 138:841-852, 1990.

M.E. Coltrin, R.J. Kee, and F.M. Rupley. Surface Chemkin: A Generalized Formalism and Interface for Analyzing Heterogeneous Chemical Kinetics at a Gas-Surface Interface. Int. J. Chem. Kinet., 23:1111-1128, 1991.

G. Dixon-Lewis, V. Giovangigli, R.J. Kee, J.A. Miller, B.Rogg, M.D. Smooke, G.Stahl, and J.Warnatz. Numerical Modeling of the Structure and Properties of Tubular Strained Laminar Premixed Flames. Prog. Astro. & Aero., 131:125-144, 1991.

M.D. Allendorf and R.J. Kee. A Model of Silicon Carbide Chemical Vapor Deposition. J. Electrochem. Soc., 138(3):841-852, 1991.

M.E. Coltrin, R.J. Kee, and F.M. Rupley. Surface Chemkin: A General Formalism and Software for Analyzing Heterogeneous Chemical Kinetics at a Gas-Surface Interface. Intl. J. Chem. Kinetics, 23:1111-1128, 1991.

K.F. McCarty, E. Meeks, R.J. Kee, and A.E. Lutz. Scalable Stagnation-Flow Reactors for Uniform Materials Deposition: Application to Combustion Synthesis of Diamond. Appl. Phys. Lett., 63:1498-1500, 1993.

E. Meeks, R.J. Kee, D.S. Dandy, and M.E. Coltrin. Computational Simulation of Diamond Chemical Vapor Deposition in Premixed C2H2/O2/H2 and CH4/O2-strained Flames. Combust. and Flame, 92:144-160, 1993.

J. Warnatz, M.D. Allendorf, R.J. Kee, and M.E. Coltrin. A Model of Elementary Chemistry and Fluid Mechanics in the Combustion of Hydrogen on Platinum Surfaces. Combust. and Flame, 96:393-406, 1994.

P.A. Spence, W.S. Winters, R.J. Kee, and A. Kermani. The Application of Computational Simulation to Design Optimization of an Axisymmetric Rapid Thermal Processing System. In 2nd International Rapid Thermal Processing Conference, pages 139-145. RTP'94, 1994.

W.J. Pitz, C.K. Westbrook, A.E. Lutz, R.J. Kee, S. Senkan, and J.G. Seebold. Numerical Modeling Capabilities for the Simulation of Toxic By-Products Formation in Combustion Processes. Combust. Sci. and Tech., 101:383-396, 1994.

E. Meeks, A. Ting, J.F. Grcar, and R.J. Kee. Flame-Centered Grid Transformation for Numerical Simulation of Strained Flames. Combust. and Flame, 96:179-185, 1994.

D.J. Srolovitz, C.A. Volkert, M.J. Fluss, and R.J. Kee, editors. Modeling and Simulation of Thin-Film Processing, volume 389. Materials Research Society, 1995.

R.J. Kee, A.Ting, and P.A. Spence. Understanding and Improving Materials Processing through Interpreting and Manipulating Predictive Models. In MRS Symp. Proc., volume 363, page 3. Materials Research Society, 1995.

L.L. Raja, R.J. Kee, and L.R. Petzold. Simulation of the Transient, Compressible, Gas-Dynamic, Behavior of Catalytic-Combustion Ignition in Stagnation Flows. Proc. Combust. Inst., 27:2249-2257, 1998.

M.E. Coltrin, E. Meeks, J.F. Grcar, W.G. Houf, R.J. Kee, and J.R. Creighton. Chemical Kinetics Models for Semiconductor Processing. In MRS Symp. Proc., volume 490, page 143. Materials Research Society, 1998.

R.J. Kee and L.L. Raja. Opportunities for Microgravity Research in the Development of Practical Catalytic Combustion Systems. In M.S. El-Genk, editor, Space Technology & Applications International Forum, pages 840-846. American Institute of Physics, 1998.

L.L. Raja, R.J. Kee, R. Serban, and L.R. Petzold. Dynamic Optimization of Chemically Reacting Stagnation Flows. In Fundamental Gas-phase and Surface Chemistry of Vapor-Phase Materials Synthesis, 98-23, page 340. The Electrochemical Society, 1999.

P.V. Meyers, R.J. Kee, L.L. Raja, C.A. Wolden, and M. Aire. Atmospheric Pressure Chemical Vapor Deposition of CdTe – Reactor Design Considerations. In NCPV Photovoltaics Program Review, pages 218-223. American Institute of Physics, 1999.