How to cite the application of DETCHEM

Please cite the application of DETCHEM as given below.

O. Deutschmann, S. Tischer, C. Correa, D. Chatterjee, S. Kleditzsch, V.M. Janardhanan, N. Mladenov, H. D. Minh, H. Karadeniz, M. Hettel, V. Menon, A. Banerjee, H. Gossler, A. Shirsath, E. Daymo, DETCHEM Software package, 2.9 ed.,, Karlsruhe 2022.
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How to cite the application of CaRMeN

Please cite the application of CaRMeN as given below.

H. Gossler, L. Maier, S. Angeli, S. Tischer, O. Deutschmann. CaRMeN – A tool for analyzing and deriving kinetics in the real world. Physical Chemistry Chemical Physics 20 (2018) 10857-10876.

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H. Gossler, L. Maier, S. Angeli, S. Tischer, O. Deutschmann. CaRMeN: An Improved Computer-Aided Method for Developing Catalytic Reaction Mechanisms. Catalysts 9 (2019) 227.

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Publications of studies with DETCHEM software

# Publication DOI
191 Y. Wang, A. Banerjee, L. Wehrle, Y. Shi, N. Brandon, O. Deutschmann. Performance analysis of a reversible solid oxide cell (r-SOC) system based on multi-scale hierarchical SOC modelling. Energy Conversion and Management (2019)
190 D.E. Doronkin, F. Benzi, L. Zheng, L. Amidani, P.W. Roesky, M. Casapu, O. Deutschmann, J.-D. Grunwaldt. NH3-SCR over V-W/TiO2 Investigated by Operando X-ray Absorption and Emission Spectroscopy. J. Phys Chem C
189 H. Gossler, S. Drost, S. Porras, R. Schießl, U. Maas, O. Deutschmann. The Internal Combustion Engine as a CO2 Reformer. Combustion and Flame, accepted 06.05.2019
188 L. Wehrle, Y. Wan, A. Banerjee, N. Brandon, O. Deutschmann. Dynamic modeling of reversible solid oxide cells (rSOCs). Chemie Ingenieur Technik, accepted 18.03.2019.
187 H. Gossler, L. Maier, S. Angeli, S. Tischer, O. Deutschmann. CaRMeN: An Improved Computer-Aided Method for Developing Catalytic Reaction Mechanisms. Catalysts (2019), accepted 25.02.2019.
186 W. Benzinger, E. Daymo, M. Hettel, L. Maier, C. Antinori, P. Pfeifer, O. Deutschmann. Reverse Water Gas Shift (RWGS) over Ni - Spatially-Resolved Measurements and Simulations. Chemical Engineering Journal (2019), accepted 7.1.2019
# Publication DOI
185 M. Hettel, M. Wörner, O. Deutschmann. Computational Fluid Dynamics of Catalytic Reactors. Chapter 6-1 in Handbook of Materials Modeling, W. Andreoni, S. Yip (eds.), Springer Nature 2018.
184 H. Stotz, L. Maier, A. Boubnov, A.T. Gremminger, J.-D. Grunwaldt, O. Deutschmann. Surface Reaction Kinetics of Methane Oxidation over PdO. Journal of Catalysis 370 (2019) 152-175.
183 T. Schedlbauer, P. Lott, M. Casapu, H. Störmer, O. Deutschmann, J.-D. Grunwaldt. Impact of the support on the catalytic performance, inhibition effects and SO2 poisoning resistance of Pt-based formaldehyde oxidation catalysts. Topics in Catalysis 62 (2019) 198-205.
182 P. Lott, M. Eck, D.E. Doronkin, R. Popescu, M. Casapu, J.-D. Grunwaldt, O. Deutschmann. Regeneration of sulfur poisoned Pd-Pt/CeO2-ZrO2-Y2O3-La2O3 and Pd-Pt/Al2O3 methane oxidation catalysts. Topics in Catalysis (2018).
181 Y. Wang, A. Banerjee, O. Deutschmann. Dynamic behavior and control strategy study of CO2/H2O co-electrolysis in solid oxide electrolysis cells. J. Power Sources 412 (2019) 255-264.
180 L. Zheng, M. Casapu, M. Stehle, O. Deutschmann, J.-D. Grunwaldt. Selective catalytic reduction of NOx with ammonia and hydrocarbon oxidation over V2O5-MoO3/TiO2 and V2O5-WO3/TiO2 SCR catalysts. Topics in Catalysis, accepted 14.11.2018.
179 B. Torkashvand, L. Maier; P. Lott; T. Schedlbauer, J.-D. Grunwaldt, O. Deutschmann. Formaldehyde Oxidation over Platinum: On the Kinetics Relevant to Exhaust Conditions of Lean-Burn Natural Gas Engines. Topics in Catalysis 62 (2019) 206-213. 4-018-1087-y
178 B. Torkashvand, L. Maier, T. Schedlbauer, M. Casapu, J.-D. Grunwaldt, O. Deutschmann. Modelling of chemistry and mass transfer in a monolithic reactor with sinusoidal channel for the catalytic oxidation of formaldehyde. Chem. Eng. Sci. 195 (2019) 841–850.
177 F. Jamshidia, H. Heimel, M. Hasert, X. Cai, O. Deutschmann, H. Marschall, M. Wörner. On suitability of phase-field and algebraic volume-of-fluid OpenFOAM® solvers for gas-liquid microfluidic applications. Computer Physics Communications 236 (2019) 72–85.
176 M. Börnhorst, S. Langheck, H. Weickenmeier, C. Dem, R. Suntz, O. Deutschmann. Characterization of solid deposits from urea water solution injected into a hot gas test rig. Chemical Engineering Journal
175 A. Banerjee, Y. Wang, J. Diercks, O. Deutschmann. Hierarchical Modeling of Solid Oxide Cells and Stacks producing Syngas via H2O/CO2 Co-electrolysis for Industrial Applications. Appl. Energy 230 (2018) 996–1013.
174 B. Torkashvand, P. Lott, D. Zengel, L. Maier, J.-D. Grunwaldt, O. Deutschmann. Homogeneous oxidation of light alkanes in the exhaust of lean-burn gas engines promoted by NOx. Chemical Engineering Journal
173 T. Schedlbauer, A. Gremminger, M. Casapu, O. Deutschmann, J.-D. Grunwaldt. Impact of the gas mixture and aging conditions on formaldehyde conversion over a series of commercial Pt-based catalysts, SAE Technical Paper 2018-01-5021 (2018).
172 H. Gossler, L. Maier, S. Angeli, S. Tischer, O. Deutschmann. CaRMeN – A tool for analyzing and deriving kinetics in the real world. Physical Chemistry Chemical Physics 20 (2018) 10857 – 10876.
171 M. Stein, V. Bykov, A. Bertiotiné Abai, C. Janzer, U. Maas, O. Deutschmann, M. Olzmann. A reduced model for the evaporation and decomposition of urea-water solution droplets. International Journal of Heat and Fluid Flow 70 (2018) 216-225.
170 V. Kappings, C. Grün, D. Ivannikov, I. Hebeiss, S. Kattge, I. Wendland, B.E. Rapp, M. Hettel, O. Deutschmann, U. Schepers. vasQchip: A novel microfluidic, artificial blood vessel scaffold for vascularized 3D tissues. Advanced Materials Technologies (2018) 1700246.
169 M. Hettel, E. Daymo, O. Deutschmann. 3D Modeling of a CPOX-Reformer including Detailed Chemistry and Radiation Effects with DUO. Computers & Chemical Engineering 109 (2018) 166–178.
168 M. Börnhorst, O. Deutschmann. Single droplet impingement of urea water solution on a heated substrate. International Journal of Heat and Fluid Flow 69 (2018) 55-61.
167 A. Giehr, L. Maier, S. Schunk, O. Deutschmann. Thermodynamic considerations on the stability of Co/γ-Al2O3 and Ni/γ-Al2O3 catalysts under dry and steam reforming conditions. ChemCatChem 10 (2018) 751-757.
# Publication DOI
166 O. Deutschmann, D. Chatterjee. Modeling of Exhaust-Gas After-Treatment. Emission Control Science and Technology 3 (2017) 247–248.
165 Spatially Resolved Operando Measurements in Heterogeneous Catalytic Reactors. Eds.: A. Dixon, O. Deutschmann. Advances in Chemical Engineering, vol. 50, 2017, Elsevier, ISBN 978-0-12-812589-2.
164 T. Rammelt, B. Torkashvand, C. Hauck, J. Böhm, R. Gläser, O. Deutschmann, Nitric Oxide Reduction of Heavy-Duty Diesel Off-Gas by NH3-SCR in Front of the Turbocharger. Emission Control Science and Technology 3 (2017) 275–288.
163 S. Kannepalli, A. Gremminger, S. Tischer, O. Deutschmann. Optimization of axial catalyst loading in transient-operated zone-structured monoliths: Reduction of cumulative emissions in automotive oxidation catalysts. Chem. Eng. Sci.174 (2017) 189–202.
162 S. Kannepalli, A. Bürger, S. Tischer, O. Deutschmann. Model based optimization of ammonia dosing in NH3-SCR of NOx for transient driving cycle: Model development and simulation. Emission Control Science and Technology 3 (2017) 249–262.
161 M. Woo, M. Wörner, S. Tischer, O. Deutschmann. Validation of a numerical method for interface-resolving simulation of multicomponent gas-liquid mass transfer and evaluation of multicomponent diffusion models. Heat and Mass Transfer (2017)
160 X. Cai, M. Wörner, H. Marschall, O. Deutschmann, CFD simulation of liquid back suction and gas bubble formation in connected tubes of different cross-sections. Emission Control Science and Technology 3 (2017) 289–301.
159 A. Gremminger, P. Lott, M. Merts, M. Casapu, J.-D. Grunwaldt, O. Deutschmann. Sulfur poisoning and regeneration of bimetallic Pd-Pt methane oxidation catalysts. Applied Catalysis B: Environmental 218 (2017) 833–843.
158 B. Torkashvand, A. Gremminger, S. Valchera , M. Casapu , J.-D. Grunwaldt, O. Deutschmann. The impact of pre-turbine catalyst placement on methane oxidation in lean-burn gas engines: An experimental and numerical study. SAE Technical Paper 2017-01-1019 (2017).
# Publication DOI
157 J.N. Bär, C. Antinori, L. Maier, O. Deutschmann. Catalysts Spatial concentration profiles for the catalytic partial oxidation of jet fuel surrogates in a Rh/Al2O3 coated monolith. Catalysts 6 (2016) 207.
156 A. Banerjee, O. Deutschmann. Elementary Kinetics of the Oxygen Reduction Reaction on LSM-YSZ Composite Cathodes. Journal of Catalysis 346 (2017) 30–49.
155 C. Karakaya, L. Maier, H. Karadeniz, O. Deutschmann. Surface reaction kinetics of the oxidation and reforming of propane over Rh/Al2O3 catalysts. ChemCatChem 9 (2016) 685–695. 10.1002/cctc.201601237
154 Y. Wang, H. Zeng, A. Banerjee, Y. Shi, O. Deutschmann, N. Cai. Elementary Reaction Modeling and Experimental Characterization on Methane Partial Oxidation within a Catalyst-Enhanced Porous Media Combustor. Energy & Fuels 30 (9) (2016) 7778-7785.
153 M. Hettel, C. Antinori, O. Deutschmann. CFD evaluation of in-situ probe techniques for catalytic honeycomb monoliths. J. Emission Control Science and Technology (2016) 1-16.
152 J. Rischard, R. Franz, C. Antinori, O. Deutschmann. Oxidative Dehydrogenation of a C4 Raffinate-2 towards 1,3-Butadiene in a Two-Zone Fluidized Bed. Chem. Ing. Tech. 88 (2016) 1723–1729.
151 J. Rischard, R. Franz, C. Antinori, O. Deutschmann. Oxidative dehydrogenation of butenes over Bi-Mo and Mo-V based catalysts in a two-zone fluidized bed reactor. AIChE J. (2016).
150 T. Günter, K. Schäfer, J. Pesek, A. Bertótiné Abai, M. Casapu, O. Deutschmann, J.-D. Grunwaldt. Cu-SSZ-13 as pre-turbine NOx-removal-catalyst: Impact of pressure and catalyst poisons. Appl. Catal. B 198 (2016) 548-557.
149 J. Rink, B. Mozaffari, S. Tischer, O. Deutschmann, M. Votsmeier. Real-time simulation of dual-layer catalytic converters. Topics in Catalysis (2016) 1-5.
148 H. Gossler, B. L. Kee, H. Zhu, M. Hettel, O. Deutschmann, R. J. Kee. Flow and pressure characteristics in rectangular channels with internal cylindrical bodies. Chem Eng. Sci. 149 (2016) 296-305.
147 H. Stotz, L. Maier, O. Deutschmann. Methane Oxidation over Palladium: On the Mechanism in Fuel-Rich Methane-Oxygen Mixtures at High Temperatures. Topics in Catalysis (2016) 1-27.
146 X. Cai, M. Wörner, H. Marschall, O. Deutschmann. Numerical study on the wettability dependent interaction of a rising bubble with a periodic open cellular structure. Catalysis Today 273 (2016) 151-160.
145 C. Karakaya, L. Maier, O. Deutschmann. Surface reaction kinetics of the oxidation and reforming of CH4 over Rh/Al2O3 catalysts. Int. J. Chem. Kinetics 48 (2016) 144-160.
144 J.N. Bär, M.I. Rocha, E. Jesus de Oliveira, O. Deutschmann. Impact of Sulfur on Catalytic Partial Oxidation of Jet Fuel Surrogates over Rh/Al2O3. Int. J. Hydrogen Energy 41 (2016) 3701-3711.
143 W. Brack, B. Heine, F. Birkhold, M. Kruse, O. Deutschmann. Formation of urea-based deposits in an exhaust system: Numerical predictions and experimental observations on a hot gas test bench. Emission Control Science and Technology 2 (2016) 115-123.
# Publication DOI
142 J. Rischard, C. Antinori, L. Maier, O. Deutschmann. Oxidative Dehydrogenation of n-butane to butadiene with Mo-V-MgO Catalysts in a Two-Zone Fluidized Bed Reactor. Appl. Catal. A: Gen. 511 (2016) 26-30.
141 B. Mozaffari, S. Tischer, M. Votsmeier, O. Deutschmann. A one-dimensional modelling approach for dual-layer monolithic catalysts. Chem. Eng. Sci. 139 (2016) 196–210.
140 L. Kunz, F.M. Kuhn, O. Deutschmann. Kinetic Monte Carlo Simulations of Surface Reactions on supported nanoparticles: A novel approach and computer code. Journal of Chemical Physics 143 (2015) 044108.
139 H. Gossler, O. Deutschmann. Numerical Optimization and Reaction Flow Analysis of Syngas Production via Partial Oxidation of Natural Gas in Internal Combustion Engines. International Journal of Hydrogen Energy 40 (2015) 11046–11058.
138 X. Cai, H. Marschall, M. Wörner, O. Deutschmann. Numerical Simulation of Wetting Phenomena with a Phase-field Method using OpenFOAM. Chemical Engineering & Technology 38 (2015) 1985-1992.
137 K. Herrera Delgado, H. Stotz, L. Maier, S. Tischer, A. Zellner, O. Deutschmann. Surface Reaction Kinetics of Steam- and CO2-Reforming as well as Oxidation of Methane over Nickel-based Catalysts. Catalysts 5 (2015) 871-904.
136 E. Japke, M. Casapu, V. Trouillet, O. Deutschmann, J.-D. Grunwaldt. Soot and hydrocarbon oxidation over vanadia-based SCR catalysts. Catal. Today 258 (2015) 461–469.
135 L.A. Schulz, L.C.S. Kahle, K. Herrera Delgado, S. Schunk, A. Jentys, O. Deutschmann, J.A. Lercher. On the coke deposition in dry reforming of methane at elevated pressure. Appl. Catal. A: Gen. 504 (2015) 599-607.
134 V. Menon, A. Banerjee, J. Dailly, O. Deutschmann. Numerical analysis of mass and heat transport in proton-conducting SOFCs with direct internal reforming. Applied Energy 149 (2015) 161–175.
133 A. T. Gremminger, H. W. Pereira de Carvalho, R. Popescu, J.-D. Grunwaldt, O. Deutschmann. Influence of gas composition on activity and durability of bimetallic Pd-Pt/Al2O3 catalysts for total oxidation of methane. Catalysis Today 258 (2015) 470–480.
132 M. Hettel, C. Diehm, O. Deutschmann. Numerical simulation of a structured catalytic methane reformer by DUO: the new computational interface for OpenFOAM® and DETCHEMTM. Catalysis Today 258 (2015) 230–240.
131 H. Karadeniz, C. Karakaya, S. Tischer, O. Deutschmann. Mass transfer effects in stagnation flows on a porous catalyst: Water-Gas-Shift reaction over Rh/Al2O3. Zeitschrift f. Phys. Chem. (2015)
130 A. Zellner, R. Suntz, O. Deutschmann. Two-dimensional spatial resolution of concentration profiles in catalytic reactors by planar laser-induced fluorescence: NO reduction over diesel oxidation catalysts. Angew. Chemie Int. Ed. 54 (2015) 2653-2655.
129 O. Deutschmann. Modeling of the interactions between catalytic surfaces and gas-phase. Catal. Lett. 145 (2015) 272-289.
# Publication DOI
128 M. Hettel, C. Diehm, O. Deutschmann. Answer to the Comment from Goguet et al. to the paper "The Critical evaluation of in situ probe techniques for catalytic honeycomb monoliths" by Hettel et al. Catalysis Today 236 (2014) 209-213. 10.1016/j.cattod.2014.02.033
127 V. Menon, Q. Fu, V.M. Janardhanan, O. Deutschmann. A model-based understanding of solid-oxide electrolysis cells (SOECs) for syngas production by H2O/CO2 co-electrolysis. J. Power Sources 274 (2015) 768-781.
126 C. Eßmann, L. Maier, A. Li, S. Tischer, O. Deutschmann. Natural Gas Steam Reforming over Rhodium/Alumina Catalysts: Experimental and Numerical Study of the Carbon Deposition from Ethylene and Carbon Monoxide. Industrial & Engineering Chemistry Research 53 (2014) 12270-12278. 10.1021/ie5015525
125 C. Diehm, O. Deutschmann. Hydrogen Production by Catalytic Partial Oxidation of Methane over Staged Pd/Rh Coated Monoliths: Spatially Resolved Concentration and Temperature Profiles. International Journal of Hydrogen Energy 39 (2014) 17998–18004.
124 T. Roussière, L. Schulz, K.M. Schelkle, G. Wasserschaff, A. Milanov, E. Schwab, O. Deutschmann, A. Jentys, J. Lercher, S. A. Schunk. Structure–Activity Relationships of Nickel–Hexaaluminates in Reforming Reactions Part II: Activity and Stability of Nanostructured Nickel–Hexaaluminate-Based Catalysts in the Dry Reforming of Methane. ChemCatChem 6 (2014) 1447–1452.
123 T. Roussière, K.M. Schelkle, S. Titlbach, G. Wasserschaff, A. Milanov, G. Cox, E. Schwab, O. Deutschmann, L. Schulz, A. Jentys, J. Lercher, S. A. Schunk. Structure–Activity Relationships of Nickel–Hexaaluminates in Reforming Reactions Part I: Controlling Nickel Nanoparticle Growth and Phase Formation. ChemCatChem 6 (2014) 1438–1446.
122 C. Hauck, S. Tischer, L. Maier, O. Deutschmann. Estimation and Modeling of Local Aging Effects of Three-Way-Catalysts by Analysis of Their Spatial Temperature and CO Conversion Profiles. Canadian J. Chem. Eng. 92 (2014) 1587-1596. 10.1002/cjce.22027
121 D. Chan, S. Tischer, J. Heck, C. Diehm, O. Deutschmann Correlation between catalytic activity and catalytic surface area of a Pt/Al2O3 DOC: An experimental and microkinetic modeling study. Applied Catalysis B: Environmental 156–157 (2014) 153–165.
120 A Zellner, R. Suntz, O. Deutschmann. In-situ investigations of catalytic gas-phase reactions inside an optically accessible channel reactor. Chemie Ingenieur Technik 86 (2014) 538–543.
119 S. Appari, V. Janardhanan, R. Bauri, S. Jayanti, O. Deutschmann. A Detailed Kinetic Model for Biogas Steam Reforming on Ni and Catalyst Deactivation Due to Sulfur Poisoning. Appl. Catal. A: Gen. 471 (2014) 118– 125.
118 W. Brack, B. Heine, F. Birkhold, M. Kruse, G. Schoch, S. Tischer, O. Deutschmann. Kinetic modeling of urea decomposition based on systematic thermogravimetric analysis of urea and its most important by-products. Chem. Eng. Sci. 106(2014)1–8.
# Publication DOI
117 C. Karakaya, R. Otterstätter, L. Maier O. Deutschmann. Kinetics of the water-gas shift reaction over Rh/Al2O3 catalysts. Appl. Catal. A: Gen. 470 (2014) 31– 44.
116 V. Menon, V.M. Janardhanan, O. Deutschmann. A mathematical model to analyze solid oxide electrolyzer cells (SOECs) for hydrogen production. Chem. Eng. Sci. 110 (2014) 83–93.
115 V. Menon, V. M. Janardhanan, O. Deutschmann. Modeling of Solid-Oxide Electrolyser Cells: From H2, CO2 Electrolysis to Co-Electrolysis. ECS Transactions 57 (2013) 3207-3216.
114 V. Menon, V. M. Janardhanan, S. Tischer, O. Deutschmann. Internal Multi-Physics Phenomena of SOFC with Direct Internal Reforming. ECS Transactions 57 (2013) 2475-2484.
113 H. Karadeniz, C. Karakaya, S. Tischer, O. Deutschmann. Numerical Modeling of stagnation flows on porous catalytic surfaces: CO oxidation on Rh/Al2O3. Chem. Eng. Sci. 104 (2013) 899–907.
112 D. Livio, C. Diehm, A. Donazzi, A. Beretta, O. Deutschmann. Catalytic Partial Oxidation of Ethanol over Rh/Al2O3: Spatially Resolved Temperature and Concentration Profiles. Appl. Catal. A: Gen. 467 (2013) 530– 541.
111 L.C.S. Kahle, T. Roussière, L. Maier, K. Herrera Delgado, G. Wasserschaff, S.A. Schunk, O. Deutschmann. Methane Dry Reforming at High Temperature and Elevated Pressure: Impact of Gas-Phase Reactions. Industrial & Engineering Chemistry Research 52 (2013) 11920-11930.
110 M. Hettel, C. Diehm, B. Torkashvand, O. Deutschmann. Critical Evaluation of In-situ Probe Techniques for Catalytic Honeycomb Monoliths. Catalysis Today 216 (2013) 2– 10.
109 K. Hauff, W. Boll, D. Chan, S. Tischer, U. Tuttlies, G. Eigenberger, O. Deutschmann, U. Nieken. Macro- and microkinetic simulation of DOC: effect of aging, noble metal loading and platinum oxidation. Chemie Ingenieur Technik 85 (2013) 673-685.
108 D. Chan, A. Gremminger, O. Deutschmann. Effect of thermal aging on physical and chemical properties of a commercial NOx-storage catalyst. Topics in Catal. 56 (2013) 293–297.
107 W. Zhang, A. Li, B. Reznik, O. Deutschmann. Thermal Expansion of Pyrolytic Carbon with Various Textures. ZAMM Z. Angew. Math. Mech. 93 (2013) 338 – 345.
106 O. Deutschmann, J.-D. Grunwaldt. Abgasnachbehandlung in mobilen Systemen: Stand der Technik, Herausforderungen und Perspektiven. Chemie Ingenieur Technik 85 (2013) 595-617.
# Publication DOI
105 W. Zhang, B. Reznik, O. Deutschmann. Raman microprobe spectrometry of carbon/carbon composites with differently-textured pyrolytic carbon matrices. ZAMM, Z. Angew. Math. Mech. 93 (2013) 329-337.
104 T. Kaltschmitt, O. Deutschmann, Fuel Processing for Fuel Cells. In Kai Sundmacher (ed.), Fuel Cell Engineering. Advances in Chemical Engineering, Vol. 41, Burlington: Academic Press, 2012, pp. 1-64
103 O. Deutschmann, D. Chatterjee, R.E. Hayes, M. Votsmeier. Modeling of exhaust-gas after-treatment, preface. Catal. Today 188 (2012) 1.
102 C. Karakaya, O. Deutschmann. Kinetics of hydrogen oxidation on Rh/Al2O3 catalysts studied in a stagnation-flow reactor. Chemical Engineering Science 89 (2013) 171-184.
101 C. Karakaya, O. Deutschmann. A Simple Method for CO Chemisorption Studies under Continuous Flow: Adsorption and Desorption Behavior of Pt/Al2O3 Catalysts. Appl. Catal. A: General 445-446 (2012) 221-230.
100 J. Bär, C. Karakaya, O. Deutschmann. Catalytic ignition of light hydrocarbons over Rh/Al2O3 studied in a stagnation point flow reactor. Proc. Combust. Inst. 34 (2013) 2313-2320.
99 C. Diehm, T. Kaltschmitt, O. Deutschmann. Hydrogen production by partial oxidation of ethanol/gasoline blends over Rh/Al2O3, Catalysis Today197 (2012) 90-100.
98 S. Dietrich, J.-M. Gebert, G. Stasiuk, A. Wanner, K. A. Weidenmann, O. Deutschmann, I. Tsukrov, R. Piat. Microstructure Characterization of CVI-Densified Carbon/Carbon Composites with Various Fiber Distributions. Composite Science and Technology 72 (2012) 1892–1900.
97 H. Zhu, A. Kromp, A. Leonide, E. Ivers-Tiffée, O. Deutschmann, R. J. Kee. The influence of detailed surface chemistry on solid oxide fuel cell electrochemical impedance spectra. J. Electrochem. Soc. 159 (2012) F255-F266.
96 T. Kaltschmitt, C. Diehm, O. Deutschmann. Catalytic partial oxidation of isooctane to hydrogen on rhodium catalysts: effect of tail-gas recycling. Industrial & Engineering Chemistry Research 51 (2012) 7536-7546.
95 V. Menon, V.M. Janardhanan, S. Tischer, O. Deutschmann. A Novel Approach to Model Solid-Oxide Fuel Cell Stack. J. Power Sources 214 (2012) 227-238.
# Publication DOI
94 C. Essmann, M. Seipenbusch, T. Schimmel, O. Deutschmann. Coke Formation in Steam Reforming of Natural Gas over Rhodium/Alumina Catalysts: An Atomic Force Microscopy Study using the Oscillating Friction Mode. Z. Phys. Chem. 225 (2011) 1207–1224.
93 V.M. Janardhanana, O. Deutschmann. Modeling diffusion limitation in solid-oxide fuel cells. Electrochim. Acta (2011) 9975-9782.
92 O. Deutschmann. Hochtemperaturkatalyse: Effizientes Verfahren zur chemischen Umwandlung logistischer Kraftstoffe . Chemie Ingenieur Technik 83 (2011) 1954-1963.
91 L. Maier, B. Schädel, K. Herrera Delgado, S. Tischer, O. Deutschmann. Steam Reforming of Methane over Nickel: Development of a Multi-Step Surface Reaction Mechanism. Topics in Catalysis 54 (2011) 845-858.
90 S. Appari, V.M. Janardhanan, S. Jayanti, L. Maier, S. Tischer, O. Deutschmann. Micro-kinetic modeling of NH3 decomposition on Ni and its application to solid oxide fuel cells. Chemical Engineering Science 66 (2011) 5184-5191.
89 N. M. Mladenov, S. Tischer, O. Deutschmann. Estimation of local aging effects of three-way-catalysts by analysis of their spatial temperature profile in operation. Chemie Ingenieur Technik 83 (2011) 1688-1696.
88 L. Maier, M. Hartmann, S. Tischer, O. Deutschmann. Interaction of heterogeneous and homogeneous kinetics with mass and heat transfer in catalytic reforming of logistic fuels. Combustion and Flame 158 (2011) 796-808.
87 N.E. McGuire, N.P. Sullivan, O. Deutschmann, H. Zhu, R.J. Kee. Dry reforming of methane in a stagnation-flow reactor using Rh supported on strontium-substituted hexaaluminate. Appl. Catal. A: General 394 (2011) 257-265.
86 V. Janardhanan, S. Appari, S. Jayanti, O. Deutschmann. Numerical study of on-board fuel reforming in a catalytic plate reactor for solid-oxide fuel cells. Chemical Engineering Science 66 (2011) 490-498
85 D. Zhang, O. Deutschmann, Y. E. Seidel, R. J. Behm. Interaction of Mass Transport and Reaction Kinetics during Electrocatalytic CO Oxidation in a Thin-Layer Flow Cell. The Journal of Physical Chemistry 115 (2011) 468-478.
84 M. Hartmann, L. Maier, O. Deutschmann. Hydrogen production by catalytic partial oxidation of iso-octane at varying flow rate and fuel/oxygen ratio: From detailed kinetics to reactor behavior. Appl. Catalysis A: General 391 (2011) 144-152.
83 A. Li, S. Zhang, B. Reznik, S. Lichtenberg, G. Schoch, O. Deutschmann. Chemistry and Kinetics of Chemical Vapor Deposition of Pyrolytic Carbon from Ethanol. Proceedings of the Combustion Institute 33 (2011) 1843-1850.
82 T. Kaltschmitt, L. Maier, C. Hauck, O. Deutschmann. Influence of gas-phase reactions on catalytic reforming of isooctane. Proceedings of the Combustion Institute 33 (2011) 3177-3183.
# Publication DOI
81 N. Hebben, C. Diehm, O. Deutschmann. Catalytic partial oxidation of ethanol on alumina-supported Rh catalysts: an experimental study. Appl. Catalysis A: General 388 (2010) 225-231.
80 W. Boll, S. Tischer, O. Deutschmann. Loading and aging effects in exhaust-gas after-treatment catalysts. Ind. Eng. Chem. Res. 49 (2010) 10303–10310.
79 A. Li, S. Zhang, B. Reznik, S. Lichtenberg, O. Deutschmann. Synthesis of pyrolytic carbon composites using ethanol as precursor. Industrial & Engineering Chemistry Research 49 (2010) 10421-10427.
78 J.-M. Gebert, B. Reznik, R. Piat, B. Viering, K. Weidenmann, A. Wanner, O. Deutschmann. Elastic constants of high-texture pyrolytic carbon measured by ultrasound phase spectroscopy. Carbon 48 (2010) 3647-3650.
77 M. Roos, J. Bansmann, D. Zhang, O. Deutschmann, R.J. Behm. Product gas evolution above planar microstructured model catalysts - A combined scanning mass spectrometry, Monte Carlo and CFD study. J. Chemical Physics, 133 (2010) 094504. The Journal of Chemical Physics Editors` Choice for 2010
76 M. Hartmann, L. Maier, H.D: Minh, O. Deutschmann. Catalytic Partial Oxidation of Iso-Octane over Rhodium Catalysts: An Experimental, Modeling, and Simulation Study. Combustion and Flame 157 (2010) 1771-1782.
75 Ö. Keskin, M. Wörner, H.S. Soyhan,T. Bauer, O. Deutschmann, R. Lange. Viscous co-current downward Taylor flow in a square minichannel. AIChE J. 56 (2010) 1693-1702.
74 N. Mladenov, J. Koop, S. Tischer, O. Deutschmann. Modeling of transport and chemistry in channel flows of automotive catalytic converters. Chem. Eng. Sci. 65 (2010) 812-826.
# Publication DOI
73 J. Koop, O. Deutschmann. Detailed surface reaction mechanism for Pt-catalyzed abatment of automotive exhaust gases. Appl. Catal.B: Environmental 91 (2009) 47-58.
72 K. Norinaga, O. Deutschmann, N.i Saegusa, J.Hayashi. Analysis of pyrolysis products from light hydrocarbons and kinetic modeling for growth of polycyclic aromatic hydrocarbons with detailed chemistry. Journal of Analytical and Applied Pyrolysis 86 (2009) 148-160.
71 M. Hartmann, T. Kaltschmitt, O.Deutschmann. Catalytic partial oxidation of higher hydrocarbon fuel surrogates on Rh/Al2O3 coated honeycomb monoliths. Catal.Today 147 (2009) 204-209.
70 M. Hartmann, Sven Lichtenberg, Nicole Hebben, Dan Zhang, O. Deutschmann. Experimentelle Untersuchung der katalytischen Partialoxidation von Modellkraftstoffen unter definierten Randbedingungen. Chemie Inginieur Technik 81 (2009) 909-919.
69 J. Thormann, L. Maier, P. Pfeifer, U. Kunz, K. Schubert, O. Deutschmann. Steam Reforming of Hexadecane over a Rh/CeO2 Catalyst in Microchannels: Experimental and Numerical Investigation. International J. Hydrogen Energy 34 (2009) 5108-5120.
68 B.T. Schädel, M. Duisberg, O. Deutschmann. Steam-reforming of methane, ethane, propane, butane and natural gas over a rhodium-based catalyst. Catalysis Today 142 (2009) 42-51.
# Publication DOI
67 H.D. Minh, H. G. Bock, S.Tischer, O. Deutschmann. Optimization of Two-Dimensional Flows with Homogeneous and Heterogeneously Catalyzed Gas-Phase Reactions. AIChE J. 54 (2008) 2432-2440.
66 A. Li, K. Norinaga, W. Zhang, O. Deutschmann. Modeling and simulation of materials synthesis: Chemical vapor deposition and infiltration and pyrolytic carbon. Composites Science and Technology 68 (2008) 1097–1104.
65 K. Norinaga, V.M Janardhanan, O. Deutschmann. Detailed Chemical Kinetic Modeling of Prolysis of Ethylene. Acetylene and Propylene at 1073-1373 K with a Plug Flow Reactor Model. International Journal of Chemical Kinetics 40 (2008) 199-208.
64 V.M. Janardhanan, V. Heuveline, O. Deutschmann. Three-phase Boundary Lenght in Solid-Oxide Fuel;Cells: A mathematical Model. J. Power Sources 178 (2008) 368-372.
63 R.U. Khan,;S.;Bajohr, D. Buchholz, R. Reimert,;H.D. Minh, K. Norinaga, V.M. Janardhanan, S. Tischer, O. Deutschmann. Pyrolysis of propane under;vacuum carburizing conditions: An experimental and modeling study. Journal of analytical and Applied Pyrolysis 81 (2008) 148-156.
62 H.D. Minh, H.G. Bock, S. Tischer, O. Deutschmann. Fast solution for large-scale for large-scale 2-D convection-diffusion, reacting flows. Computational Science and its Applications - ICCSA 2008. Lecture Notes in Computer Science 507, Gervasi, B.Murgante (eds.), p.1121-1130, Springer, 2008.
# Publication DOI
61 V.M. Janardhanan, V. Heuveline and O. Deutschmann. Performance Analysis of a SOFC under direct internal reforming conditions. J. Power Sources 177 (2007) 296-307.
60 A.Li, G. Schoch, S. Lichtenberg, D. Zhang, O. Deutschmann. A novel CVD/ CVI reactor with an in-situ sampling apparutus connected to an online GC/ MS. Surface & Coatings Technology 201 (2007) 8939-8943.
59 A. Li, O. Deutschmann. Transient simulation of chemical vapor infiltration of methane using multi-step reaction and deposition models. Chemical Engineering Science 62 (2007) 4976-4982.
58 V.M. Janardhanan, O. Deutschmann. Numerical study of mass and heat transport in solid oxide fuel cells running on humidified methane. Chemical Engineering Science 62 (2007) 5473-5486.
57 D. Lysenkov, J. Engstler, A. Dangwal, A. Popp, G. Müller, J.J. Schneider, V.M. Janardhanan, O. Deutschmann, V. Ebert, P. Strauch, J. Wolfrum. Carbon nanotubes anchored on porous alumina. An integrated approach towards formation, process modeling, gas phase analysis and field emission properties. SMALL 3 No.6 (2007) 974-985.
56 K. Norinaga, O. Deutschmann. Detailed Kinetic Modeling of Gas-Phase Reactions in the Chemical Vapor Deposition of Carbon from Light Hydrocarbons. Ind. Eng. Chem. Res.;46 (2007) 3547-3557.
55 A. Böttcher, F. Hennrich, H. Rösner, S. Malik, M.M. Kappes, S. Lichtenberg, G. Schoch, O. Deutschmann. Growth of novel carbon phases by methane infiltration of free-standing single-walled carbon nanotube films. Carbon 45 (2007) 1085-1096.
54 F. Birkhold, U. Meingast, P. Wassermann, O. Deutschmann.; Modeling and simulation of the injection of urea-water-solution for automotive SCR DeNOx-systems. Appl. Catal. B: Environmental 70 (2007) 119-127.
53 R. Quiceno, O. Deutschmann, J. Warnatz, J. Pérez-Ramírez. Rational Modeling of the CPO of methane over platinum gauze: Elementary gas-phase and surface mechanisms coupled with flow simulations. Catalysis Today 119 (2007) 311-316.
52 V.M. Janardhanan, O. Deutschmann. Efficiency Analysis of Planar Solid Oxide Fuel Cell at Direct Internal Reforming Conditions. ECS Transactions 7 (1) (2007) 1939-1943.
51 H.-H. Carstensen, A.M. Dean, O. Deutschmann. Rate Constants for the H Abstraction from Alkanes (R-H) by R’O2• Radicals: A Systematic Study on the Impact of R and R’. Proc. Combust. Inst. 31 (2007) 149-157.
50 V.M. Janardhanan, O. Deutschmann, Modeling of Solid-Oxide Fuel Cells (invited review), Zeitschrift f. Phys. Chem. 221 (2007) 443-479.
49 B. T. Schädel, O. Deutschmann. Steam Reforming of Natural Gas on Noble-metal Based Catalysts: Predictive Modeling. Natural Gas Conversion VIII, Studies in Surface Science and Catalysis 167, M. Schmal, F.B. Noronha, E. F. Sousa-Aguiar (eds.), p. 207-212, Elsevier, 2007.
# Publication DOI
48 V.M. Janardhanan, O. Deutschmann. CFD analysis of a solid oxide fuel cell with internal reforming: Coupled interactions of transport, heterogeneous catalysis and electrochemical processes. Journal of Power Sources 162 (2006), 1192-1202.
47 K. Norinaga, O. Deutschmann, K.J. Hüttinger. Analysis of gas phase compounds in chemical vapor deposition of carbon from light hydrocarbons. Carbon 44 (2006) 1790–1800.
46 B. Reznik, K. Norinaga, D. Gerthsen, O. Deutschmann. The effect of cooling rate on hydrogen release from a pyrolytic carbon coating and its resulting morphology. Carbon 44 (2006) 1330-1333.
45 R. Quiceno, J. Pérez-Ramírez, J. Warnatz, O. Deutschmann. Modeling the High-Temperature Catalytic Partial Oxidation of Methane over Platinum Gauze. Detailed Gas-Phase and Surface Chemistries Coupled With 3D Flow Field Simulations. Applied Catalysis A: General 303 (2006) 166–176.
# Publication DOI
44 O.R. Inderwildi, D. Lebiedz, O. Deutschmann, J. Warnatz. Influence of Coadsorbates on the NO Dissociation on a Rhodium (311) Surface. Chem. Phys. Chem. 6 (2005) 2513 – 2521.
43 E. Hecht, G.K. Gupta, H. Zhu. A.M. Dean, R.J. Kee, L. Maier, O. Deutschmann. Methane Reforming Kinetics within a Ni-YSZ SOFC Anode Support. Applied Catalysis A: General 295 (2005) 40–51.
42 S. Tischer, O. Deutschmann. Recent Advances in Numerical Modeling of Catalytic Monolith Reactors. Catalysis Today 105 (2005) 407-413.
41 O.R. Inderwildi, D. Lebiedz, O. Deutschmann, J. Warnatz. Influence of initial oxygen coverage and magnetic moment on the NO decomposition on Rhodium (111). J. Chem. Phys. 122 (2005) 154702.
40 O.R. Inderwildi, D. Lebiedz, O. Deutschmann, J. Warnatz.; Coverage Dependence of Oxygen Decomposition and Surface Diffusion on Rhodium (111): A DFT Study. J. Chem. Phys. 122 (2005) 034710.
39 H. Zhu, R. J. Kee, V.M. Janardhanan, O. Deutschmann, D.G. Goodwin. Modeling Elementary Heterogeneous Chemistry and Electrochemistry in Solid-Oxide Fuel Cells. J. Electrochemical Soc. 152 (2005) A2427-A2440.
# Publication DOI
38 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.
37 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, Xinhe Bao, Yide Xu (eds.), p. 511 - 516, Elsevier, 2004.
# Publication DOI
36 Z.R.Ismagilov, M.A.Kerzhentsev, V.A.Sazonov, L.T.Tsykoza, N.V. Shikina, V.V. Kuznetsov, V.A. Ushakov, S.V.Mishanin, N.G.Kozhukhar, G. Russo, O.Deutschmann. Study of Catalyts for Catalytic Burners for Fuel Cell Power Plant Reformers. Korean J. Chem. Eng. 20 (2003) 461-467.
35 R. Schwiedernoch, S. Tischer, C. Correa, O. Deutschmann. Experimental and numerical study on the transient behavior of partial oxidation of methane in a catalytic monolith. Chem. Eng. Sci. 58 (2003), 633-642.
34 T. Zech, J. Klein, S.A. Schunk, T. Johann, F. Schüth, S. Kleditzsch, O. Deutschmann. Miniaturized Reactor Concepts and Advanced Analysis for Primary Screening in High-Throughput Experimentation. Chapter 23 in High Throughput Analysis: A Tool for Combinatorial Material Science, Potyrailo, Amis (eds.), p. 491-523, Kluwer Acdemic Publisher, 2003.
# Publication DOI
33 R. P. O´Connor, L.D. Schmidt, O. Deutschmann. .Simulating Cyclohexane Millisecond Oxidation: Coupled Chemistry and Fluid Dynamics. AIChE J. 48 (2002) 1241-1256.
32 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) 1005-1011.
31 T. Pery, M.G. Schweitzer, H.-R. Volpp, J. Wolfrum, L. Ciossu, O. Deutschmann, J. Warnatz. Sum-Frequency Generation In Situ Study of CO Adsorption and Catalytic CO Oxidation on Rhodium at Elevated Pressures. Proc. Combust. Inst. 29 (2002) 973-980.
30 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) 957-963.
# Publication DOI
29 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.
28 J. M. Redenius, L.D. Schmidt, O. Deutschmann. Millisecond Catalytic Wall Reactors: I. Radiant Burner. AIChE J. 47 (2001) 1177-1184.
27 G. Miessen, F. Behrendt, O. Deutschmann, J. Warnatz. Numerical Studies of the Heterogeneous Combustion of Char Particles Using Detailed Chemistry. Chemosphere 42 (2001) 609-613.
26 D. Chatterjee, O. Deutschmann, J. Warnatz. Detailed surface reaction mechanism in a three-way catalyst. Faraday Discussions 119 (2001) 371-384.
# Publication DOI
25 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.
24 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.
23 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.
22 M. von Schwerin, O. Deutschmann, V. Schulz. Process Optimization of Reactive Systems by Partiallly Reduced SQP Methods. Computers & Chemical Engineering 24 (2000) 89-97.
21 C. Taut, C. Correa, O. Deutschmann. J. Warnatz, S. Einicke, C. Schulz, J. Wolfrum.; Three-dimensional Modeling with Monte-Carlo-Probability Density Function Methods and Laser Diagnostics of the Combustion in a Two-Stroke-Engine. Proc. Combust. Inst.; 28; (2000) 1153-1159.
20 B. Ruf, F. Behrendt, O. Deutschmann, S. Kleditzsch, J. Warnatz. Modeling of Chemical Vapor Deposition of Diamond Films from Acetylene-Oxygen Flames. Proc. Combust. Inst.28 (2000) 1455-1461.
19 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.
# Publication DOI
18 M. Wolf, O. Deutschmann, F. Behrendt, J. Warnatz. Kinetic Model of an Oxygen-free Methane Conversion on a Platinum Catalyst. Catalysis Letters 61 (1999) 15-25. 10.1023/A:1019039931310
17 O. Deutschmann, F. Behrendt, and J. Warnatz.; Formal Treatment of Catalytic Combustion and Catalytic Conversion of Methane. Catalysis Today 46 (1998) 155-163.
16 O. Deutschmann and L. D. Schmidt. Modeling the Partial Oxidation of Methane in a Short Contact Time Reactor. AIChE J. 44 (1998) 2465-2476.
15 M. Wolf, O. Deutschmann, F. Behrendt, J. Warnatz.; Simulation of the Oxygen-free Methane Conversion to Higher Hydrocarbon Fuels Using a Platinum Catalyst with a Catalytically Active Carbonaceous Overlayer. Natural Gas Conversion V, Studies in Surface Science and Catalysis 119, p. 271-276, Elsevier, Amsterdam, 1998.
14 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, 1998.
13 O. Deutschmann and L. D. Schmidt. Two-Dimensional Modeling of Partial Oxidation of Methane on Rhodium in a Short Contact Time Reactor. Twenty-Seventh Symposium (International) on Combustion, p. 2283-2291 , Pittsburgh, 1998.