Publications of studies with DETCHEM software Updates
1) O. Deutschmann and L. D. Schmidt. Two-Dimensional Modeling of Partial Oxidation of Methane on Rhodium in a Short Contact Time Reactor. Proc. Comb. Inst. 27 (1998), 2283-2291  
   
2) L. D. Schmidt, O. Deutschmann, and C. T. Goralski, Jr. Modeling the Partial Oxidation of Methane
to Syngas at Millisecond Contact Times. Natural Gas Conversion V, Studies in Surface Science and
Catalysis 119, p. 685-692, Elsevier, Amsterdam, 1998.
 
   
3) O. Deutschmann and L. D. Schmidt. Modeling the Partial Oxidation of Methane in a Short Contact Time Reactor. AIChE J. 44 (1998) 2465-2476.  
   
4) O. Deutschmann, L. D. Schmidt, J. Warnatz. Simulation of Reactive Flow in a Partial Oxidation Reactor with Detailed Gas Phase and Surface Chemistry Models, In: Scientific Computing in Chemical Engineering II. Computational Fluid Dynamics, Reaction Engineering, and Molecular Properties. F. Keil, W. Mackens, H. Voß, J. Werther (Eds.). p. 368-375, Springer, 1999.  
   
5) L. L. Raja, R. J. Kee, O. Deutschmann, J. Warnatz, L. D. Schmidt. A Critical Evaluation of Navier-
Stokes, Boundary-Layer, and Plug-Flow Models for the Simulation of Flow and Chemistry in a Catalytic Combustion Honeycomb Channel. Catalysis Today 59 (2000) 47-60.
 
   
6) O. Deutschmann, L. Maier, U. Riedel, A. H. Stroemann, R. W. Dibble. Hydrogen Asssisted Catalytic Combustion of Methane on Platinum. Catalysis Today 59 (2000) 141-150.  
   
7) J. Braun, T. Hauber, H. Tbben, P. Zacke, D. Chatterjee, O. Deutschmann, J. Warnatz. Influence of Physical and Chemical Parameters on the Conversion Rate of a Catalytic Converter: A Numerical Simulation Study. SAE paper 2000-01-0211 (2000).  
   
8) D. K. Zerkle, M. D. Allendorf, M. Wolf, O. Deutschmann. Modeling of On-Line Catalyst Addition
Effects in a Short Contact Time Reactor. Proc. Combust. Inst. 28 (2000) 1365- 1372.
 
   
9) D.K. Zerkle, M.D. Allendorf, M. Wolf, O. Deutschmann. Understanding Homogeneous and Heterogeneous Contributions to the Platinum-Catalyzed Partial Oxidation of Ethane in a Short Contact Time Reactor. J. Catal. 196 (2000) 18-39.  
   
10) O. Deutschmann, R. Schwiedernoch, L.I. Maier, D. Chatterjee. Natural Gas Conversion in Monolithic Catalysts: Interaction of Chemical Reactions and Transport Phenomena. Natural Gas Conversion VI, Studies in Surface Science and Catalysis 136, E. Iglesia, J.J. Spivey, T.H. Fleisch (eds.), p. 215-258, Elsevier, 2001.  
   
11) J. M. Redenius, L. D. Schmidt, O. Deutschmann. Millisecond CatalyticWall Reactors: I. Radiant Burner. AIChE J. 47(2001) 1177-1184.  
   
12) S. Tischer, C. Correa, O. Deutschmann. Transient three-dimensional simulation of a catalytic combustion monolith using detailed models for heterogeneous and homogeneous reactions and transport phenomena. Catalysis Today 69 (2001) 57-62.  
   
13) D. Chatterjee, O. Deutschmann, J.Warnatz. Detailed surface reaction mechanism in a three-way catalyst. Faraday Discussions 119 (2001) 371-384.  
   
14) J. Braun, T. Hauber, H. Tbben, J. Windmann, P. Zacke, D. Chatterjee, C. Correa, O. Deutschmann, L. Maier, S. Tischer, J. Warnatz. Three-Dimensional Simulation of the Transient Behavior of a Three-Way Catalytic Converter. SAE Technical paper 2002-01- 0065 (2002).  
   
15) R. P. O Connor, L.D. Schmidt, O. Deutschmann. Simulating the Millisecond Oxidation of Cyclohexane by Coupled Chemistry and Fluid Dynamics. AIChE J. 48 (2002), 1241-1256.
 
   
16) R. Schwiedernoch, S. Tischer, C. Correa, O. Deutschmann, J. Warnatz. Experimental and numerical investigation of the ignition of methane combustion in a platinum-coated honeycomb monolith. Proc. Combust. Inst. 29 (2002).  
   
17) K. Maruta, K. Takeda, J. Ahn, K. Borer, L. Sitzki, P. D. Ronney, O. Deutschmann. Extinction Limits of Catalytic Combustion in Microchannels. Proc. Combust. Inst. 29 (2002).  
   
18) R. Schwiedernoch, S. Tischer, C. Correa, O. Deutschmann. Experimantal and Numerical Study of the Transient Behaviour of a Catalytic Partial Oxidation Monolith. Chem. Eng. Sci. 58 (2003), 633-642.  
   
19) J. Windmann, J. Braun, P. Zacke, S. Tischer, D. Chatterjee, O. Deutschmann, J. Warnatz. Impact of the Inlet Flow Distribution on the Light-Off Behaviour of a 3-Way Catalytic Converter. SAE Technical Paper 2003-01-0937 (2003).  
   
20) R. Schwiedernoch, S. Tischer, H.-R. Volpp, O. Deutschmann. Towards a better understanding of transient processes in catalytic oxidation reactors. Natural Gas Conversion VI, Studies in Surface Science and Catalysis 147 (2004), 511-516.  
   
21) M. Bizzi, R. Schwiedernoch, O. Deutschmann, G. Saracco. Modeling the Partial Oxidation of Methane in a Fixed Bed with Detailed Chemistry. AIChE J. 50 (2004), 1289 - 1299.  
   
22) S. Tischer, O. Deutschmann. Recent advances in numerical modeling of catalytic monolith reactors. Catalysis Today (2005) in press.  
   
23) Vinod M. Janardhanan and Olaf Deutschmann. CFD analysis of a solid oxide fuel cell with internal reforming: Coupled interactions of transport, heterogeneous catalysis and electrochemical processes, J. Power Sources, (162) 2, 1192-1202(2006).  
   
24) Vinod M. Janardhanan Vincent Hueveline and Olaf Deutschmann. Performance evaluation of planar solid oxide fuel cells, J. Power Sources, in press(2007).  
   
25) Vinod M. Janardhanan and Olaf Deutschmann. Numerical study of mass and heat transport in solid oxide fuel cells running on humidified methane, Chem. Eng. Sci., in press (2007).  
   
26) R. U. Khan, S. Bojohr, D. Buchholz, R. Reimert, H. D. Mihn, K. Norinaga, V. M. Janardhanan, S. Tischer, and O. Deutschmann. Pyrolysis of propane for vacuum carburizing of steel: An experimental and modeling study, J. Analytical and Applied Pyrolysis, submitted (2007).  
   
27) Koyo Norinaga, Vinod M. Janardhanan, and Olaf Deutschmann. Detailed Chemical Kinetic Modeling of Pyrolysis of Ethylene, Acetylene and Propylene at 1073 – 1373 K with a Plug Flow Reactor Model . Int. J. Chem. Kinetics, accepted (2007)  
   
28) J. Koop, O. Deutschmann. Detailed surface reaction mechanism for Pt-catalyzed abatment of automotive exhaust gases. Appl. Catal.B: Environmental 91 (2009), 47-58  
   
29) J. Thormann, L. Maier, P. Pfeifer, U. Kunz, K. Schubert, O. Deutschmann. International J. Hydrogen Energy 34 (2009), 5108-5120  
   
30) M. Hartmann, L. Maier, O. Deutschmann. Catalytic Partial Oxidation of Iso-Octane over Rhodium Catalysts: An Experimental, Modeling, and Simulation Study. Combustion and Flame, 157 (2010) 1771-1782