Institute of Catalysis Research and Technology (IKFT)

Publications


2020
Journal Articles
Börnhorst, M.; Kuntz, C.; Tischer, S.; Deutschmann, O. (2020). Urea derived deposits in diesel exhaust gas after-treatment: Integration of urea decomposition kinetics into a CFD simulation. Chemical engineering science, 211, Article No.115319. doi:10.1016/j.ces.2019.115319
Lott, P.; Eck, M.; Doronkin, D. E.; Zimina, A.; Tischer, S.; Popescu, R.; Belin, S.; Briois, V.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2020). Understanding Sulfur Poisoning of Bimetallic Pd-Pt Methane Oxidation Catalysts and their Regeneration. Applied catalysis / B, Art.Nr.: 119244. doi:10.1016/j.apcatb.2020.119244
Wan, S.; Torkashvand, B.; Häber, T.; Suntz, R.; Deutschmann, O. (2020). Investigation of HCHO Catalytic Oxidation over Platinum using Planar Laser-Induced Fluorescence. Applied catalysis / B, 264, Article: 118473. doi:10.1016/j.apcatb.2019.118473
2019
Journal Articles
Benzinger, W.; Daymo, E.; Hettel, M.; Maier, L.; Antinori, C.; Pfeifer, P.; Deutschmann, O. (2019). Reverse Water Gas Shift (RWGS) over Ni - Spatially-Resolved Measurements and Simulations. The chemical engineering journal, 362, 430–441. doi:10.1016/j.cej.2019.01.038
Doronkin, D. E.; Benzi, F.; Zheng, L.; Sharapa, D. I.; Amidani, L.; Studt, F.; Roesky, P. W.; Casapu, M.; Deutschmann, O.; Grunwaldt, J.-D. (2019). NH3-SCR over V-W/TiO2 Investigated by Operando X-ray Absorption and Emission Spectroscopy. The journal of physical chemistry <Washington, DC> / C, 123 (23), 14338–14349. doi:10.1021/acs.jpcc.9b00804
Gänzler, A. M.; Casapu, M.; Doronkin, D. E.; Maurer, F.; Lott, P.; Glatzel, P.; Votsmeier, M.; Deutschmann, O.; Grunwaldt, J.-D. (2019). Unravelling the Different Reaction Pathways for Low Temperature CO Oxidation on Pt/CeO2 and Pt/Al2O3 by Spatially Resolved Structure–Activity Correlations. The journal of physical chemistry letters, 10 (24), 7698–7705. doi:10.1021/acs.jpclett.9b02768
Gossler, H.; Maier, L.; Angeli, S.; Tischer, S.; Deutschmann, O. (2019). CaRMeN: An Improved Computer-Aided Method for Developing Catalytic Reaction Mechanisms. Catalysts, 9 (3), Article No.227. doi:10.3390/catal9030227
Stotz, H.; Maier, L.; Boubnov, A.; Gremminger, A.; Grunwaldt, J.-D.; Deutschmann, O. (2019). Surface reaction kinetics of methane oxidation over PdO. Journal of catalysis, 370, 152–175. doi:10.1016/j.jcat.2018.12.007
Tischer, S.; Börnhorst, M.; Amsler, J.; Schoch, G.; Deutschmann, O. (2019). Thermodynamics and reaction mechanism of urea decomposition. Physical chemistry, chemical physics, 21 (30), 16785–16797. doi:10.1039/C9CP01529A
Torkashvand, B.; Lott, P.; Zengel, D.; Maier, L.; Hettel, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019). Homogeneous oxidation of light alkanes in the exhaust of turbocharged lean-burn gas engines. The chemical engineering journal, 377, Article No.119800. doi:10.1016/j.cej.2018.08.186
Torkashvand, B.; Maier, L.; Hettel, M.; Schedlbauer, T.; Grunwaldt, J.-D.; Deutschmann, O. (2019). On the challenges and constrains of ultra-low emission limits: Formaldehyde oxidation in catalytic sinusoidal-shaped channels. Chemical engineering science, 195, 841–850. doi:10.1016/j.ces.2018.10.031
Presentations
Lott, P.; Eck, M.; Doronkin, D.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019). Exhaust Gas after Treatment of Natural Gas Engines: A Systematic Operando Study on Sulfur Poisoning and Regeneration of Pd-Pt Methane Oxidation Catalysts. 26th North American Meeting of the Catalysis Society (NAM 26 2019), Chicago, IL, USA, June 23–28, 2019.
Lott, P.; Gremminger, A.; Boubnov, A.; Doronkin, D.; Eck, M.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019, March). Regeneration strategies for methane oxidation catalysts. 4th North American Symposium on Chemical Reaction Engineering (NASCRE 2019), Houston, TX, USA, March 10–13, 2019.
Schwarz, S.; Yuan, W. H.; Ruwe, L.; Gossler, H.; Maier, L.; Qi, F.; Kohse-Höinghaus, K.; Deutschmann, O. (2019). Homogenous gas-phase reactions in exhaust aftertreatment systems of internal combustion engines. 29. Deutscher Flammentag (2019), Bochum, Germany, September 17–18, 2019.
Posters
Lott, P.; Eck, M.; Doronkin, D. E.; Casapu, M.; Grunwaldt, J.-D.; Deutschmann, O. (2019, March). Exhaust gas after treatment of natural gas engines: A systematic study on sulfur poisoning and regeneration of methane oxidation catalysts. 52. Jahrestreffen Deutscher Katalytiker (2019), Weimar, Germany, March 13–15, 2019.
Tischer, S.; Börnhorst, M.; Amsler, J.; Schoch, G.; Deutschmann, O. (2019, September 8). Thermodynamics and reaction mechanism of urea decomposition. 6th International Symposium on Modeling of Exhaust-Gas After-Treatment (MODEGAT VI 2019), Bad Herrenalb, Germany, September 8–10, 2019.
2018
Journal Articles
Gossler, H.; Maier, L.; Angeli, S.; Tischer, S.; Deutschmann, O. (2018). CaRMeN: a tool for analysing and deriving kinetics in the real world. Physical chemistry, chemical physics, 20 (16), 10857–10876. doi:10.1039/C7CP07777G
Hettel, M.; Daymo, E. A.; Deutschmann, O. (2018). 3D modeling of a CPOX-reformer including detailed chemistry and radiation effects with DUO. Computers & chemical engineering, 109, 166–178. doi:10.1016/j.compchemeng.2017.11.005
Torkashvand, B.; Maier, L.; Lott, P.; Schedlbauer, T.; Grunwaldt, J.-D.; Deutschmann, O. (2018). Formaldehyde Oxidation Over Platinum: On the Kinetics Relevant to Exhaust Conditions of Lean-Burn Natural Gas Engines. Topics in catalysis, 62 (1-4), 206–213. doi:10.1007/s11244-018-1087-y
Presentations
Giehr, A.; Angeli, S.; Maier, L.; Deutschmann, O. (2018). Experimental and microkinetic investigation of methane dry reforming on a co-based catalyst. 117th General Assembly of the German Bunsen Society for Physical Chemistry (2018), Hanover, Germany, May 10–12, 2018.
Giehr, A.; Angeli, S.; Maier, L.; Deutschmann, O. (2018). Experimental and microkinetic investigation of methane dry reforming on a Co-based catalyst. 51. Jahrestreffen Deutscher Katalytiker (2018), Weimar, Germany, March 14–16, 2018.
Giehr, A.; Angeli, S.; Maier, L.; Schunk, S.; Deutschmann, O. (2018). Dry reforming of methane over a Co-based catalyst: An experimental and microkinetics modeling study. 25th International Conference on Chemical Reaction Engineering (ISCRE 2018), Florence, Italy, May 20–23, 2018.
Gossler, H.; Angeli, S.; Tischer, S.; Maier, L.; Deutschmann, O. (2018). Catalytic reaction mechanism network (CaRMeN): a novel tool for the evaluation of kinetic data and mechanisms. 51. Jahrestreffen Deutscher Katalytiker (2018), Weimar, Germany, March 14–16, 2018.
Gossler, H.; Maier, L.; Angeli, S.; Tischer, S.; Deutschmann, O. (2018). Reaction mechanisms for combustion of H₂, CO and CH₄ over Rh analyzed by CaRMeN. 37th International Symposium on Combustion (2018), Dublin, Ireland, July 29–August 3, 2018.
Gossler, H.; Tischer, S.; Maier, L.; Deutschmann, O. (2018). CaRmeN: catalytic reaction mechanisms network - a novel tool for the evaluation of kinetic data and mechanisms. 25th International Conference on Chemical Reaction Engineering (ISCRE 2018), Florence, Italy, May 20–23, 2018.
Gossler, H.; Maier, L.; Angeli, S.; Tischer, S.; Deutschmann, O. (2018). CaRMeN: a novel software tool for the evaluation of kinetic models. 117th General Assembly of the German Bunsen Society for Physical Chemistry (2018), Hanover, Germany, May 10–12, 2018.
2017
Journal Articles
Kannepalli, S.; Bürger, A.; Tischer, S.; Deutschmann, O. (2017). 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 (4), 249–262. doi:10.1007/s40825-017-0072-4
Presentations
Giehr, A.; Maier, L.; Schunk, S. A.; Deutschmann, O. (2017). Methane dry reforming over Co catalyst: Thermodynamic analysis and experimental kinetic study. 25th North American Catalysis Society Meeting (NAM25), Denver, CO, June 4-9, 2017.
Giehr, A.; Maier, L.; Schunk, S. A.; Deutschmann, O. (2017). Comparative thermodynamic considerations on oxidation state and coking resistance of Co/Al₂O₃ and Nl/Al₂O₃ catalysts under dry/steam reforming conditions. 50.Jahrestreffen Deutscher Katalytiker, Weimar, 15.-17.März 2017.
Stotz, H.; Maier, L.; Boubnov, A.; Gremminger, A.; Valchera, S.; Grunwaldt, J.-D.; Deutschmann, O. (2017). Methane oxidation over PdO: Surface reaction kinetics at fuel lean conditions. Jahrestreffen Reaktionstechnik, Würzburg, 22.-24.Mai 2017.
Stotz, H.; Maier, L.; Boubnov, A.; Gremminger, A.; Valchera, S.; Grunwaldt, J.-D.; Deutschmann, O. (2017). Surface reaction kinetics of methane oxidation over PdO. 25th North American Catalysis Society Meeting (NAM25), Denver, CO, June 4-9, 2017.
2016
Journal Articles
Bär, J. N.; Rocha, M. I.; De Oliveira, E. J.; Deutschmann, O. (2016). Impact of sulfur on catalytic partial oxidation of jet fuel surrogates over Rh/Al₂O₃. International journal of hydrogen energy, 41 (5), 3701–3711. doi:10.1016/j.ijhydene.2015.12.015
Hettel, M.; Antinori, C.; Deutschmann, O. (2016). CFD Evaluation of In Situ Probe Techniques for Catalytic Honeycomb Monoliths. Emission control science and technology, 2 (4), 188–203. doi:10.1007/s40825-016-0043-1
Hettel, M.; Antinori, C.; Deutschmann, O. (2016). CFD-Evaluation of in-situ probe techniques for catalytic honeycomb monoliths. Emission control science and technology, 2 (4), 188–203.
Karakaya, C.; Karadeniz, H.; Maier, L.; Deutschmann, O. (2016). Surface reaction kinetics of the oxidation and reforming of propane over Rh/Al₂O₃ catalysts. ChemCatChem, 9 (4), 685–695. doi:10.1002/cctc.201601237
Karakaya, C.; Maier, L.; Deutschmann, O. (2016). Surface Reaction Kinetics of the Oxidation and Reforming of CH₄ over Rh/Al₂O₃ Catalysts. International journal of chemical kinetics, 48 (3), 144–160. doi:10.1002/kin.20980
Mozaffari, B.; Tischer, S.; Votsmeier, M.; Deutschmann, O. (2016). A one-dimensional modeling approach for dual-layer monolithic catalysts. Chemical Engineering Science, 139, 196–210. doi:10.1016/j.ces.2015.09.021
Rink, J.; Mozaffari, B.; Tischer, S.; Deutschmann, O.; Votsmeier, M. (2016). Real-time Simulation of Dual-Layer Catalytic Converters Based on the Internal Mass Transfer Coefficient Approach. Topics in catalysis, 60 (3-5), 225–229. doi:10.1007/s11244-016-0602-2
Rischard, J.; Antinori, C.; Maier, L.; Deutschmann, O. (2016). Oxidative dehydrogenation of n-butane to butadiene with Mo-V-MgO catalysts in a two-zone fluidized bed reactor. Applied catalysis / A, 511, 23–30. doi:10.1016/j.apcata.2015.11.026
Rischard, J.; Antinori, C.; Deutschmann, O. (2016). Oxidative dehydrogenation of a C4-raffinate 2 towards 1,3-butadiene in a two-zonbe fluidized bed reactor using a Mo-V-MgO catalyst. Chemie - Ingenieur - Technik, 88 (11), 1723–1729. doi:10.1002/cite.201600055
Rischard, J.; Franz, R.; Antinori, C.; Deutschmann, O. (2016). Oxidative dehydrogenation of butenes over Bi-Mo and Mo-V based catalysts in a two-zone fluidized bed reactor. AIChE journal, 63 (1), 43–50. doi:10.1002/aic.15368
Stotz, H.; Maier, L.; Deutschmann, O. (2016). Methane Oxidation over Palladium : On the Mechanism in Fuel-Rich Mixtures at High Temperatures. Topics in catalysis, 60 (1-2), 83–109. doi:10.1007/s11244-016-0717-5
Presentations
Rischard, J.; Antinori, C.; Maier, L.; Deutschmann, O. (2016). Oxidative dehydrogenation of n-butane and butenes to 1,3-butadiene over Mo-V and Mo-Bi based catalysts in a tow-zone fluidized bed reactor. 24th International Symposium on Chemical Reaction Engineering, Minneapolis, MN, USA, June 12-15, 2016.
Rischard, J.; Antinori, C.; Maier, L.; Deutschmann, O. (2016). Direct 1,3-butediene production out of n-butane and butenes in a two-zone fluidized bed reactor with MO based catalysts. 11th Natural Gas Conversion Symposium, Tromso, N, June 5-9, 2016.
Posters
Hettel, M.; Antinori, C.; Deutschmann, O. (2016). Numerical simulation of a structured catalytic methane reformer by DUO, the Coupling of OpenFOAM and DETCHEM. 5th International Conference on Structural Catalysts and Reactors (ICOSCAR), Donostia-San Sebastian, E, June 22-24, 2016.
Hettel, M.; Antinori, C.; Deutschmann, O. (2016). CFD simulation of a structured catalytic methane reformer including detailed chemistry. 11th Natural Gas Conversion Symposium, Tromso, N, June 5-9, 2016.
2015
Journal Articles
Delgado, K. H.; Maier, L.; Tischer, S.; Zellner, A.; Stotz, H.; Deutschmann, O. (2015). Surface Reaction Kinetics of Steam- and CO₂-Reforming as Well as Oxidation of Methane over Nickel-Based Catalysts. Catalysts, 5 (2), 871–904. doi:10.3390/catal5020871
Karadeniz, H.; Karakaya, C.; Tischer, S.; Deutschmann, O. (2015). Mass transfer effects in stagnation flows on a porous catalyst: Water-gas-shift reaction over Rh/Al₂O₃. Zeitschrift für physikalische Chemie, 229 (5), 709–737. doi:10.1515/zpch-2014-0622
Kunz, L.; Kuhn, F. M.; Deutschmann, O. (2015). Kinetic Monte Carlo simulations of surface rections on supported nanoparticles : A novel approach and computer code. The journal of chemical physics, 143 (4), Art. Nr. 044108. doi:10.1063/1.4926924
Presentations
Maier, L.; Herrera Delgado, K.; Kahle, L.; Karakaya, C.; Deutschmann, O. (2015). Surface reaction kinetics of steam- and CO₂-reforming as well as oxidation of methane over Ni, Rh, Pt-based catalysts. 9th International Conference on Chemical Kinetics, Ghent, B, June 28 - July 2, 2015.
Rischard, J.; Antinori, C.; Maier, L.; Deutschmann, O. (2015). Oxidative dehydrogenation of n-butane in a two-zone fluidized bed reactor over Mo-V catalysts. European Symposium on Chemical Reaction Engineering (ESCRE 2015), Fürstenfeldbruck, October 27-30, 2015.
Stotz, H.; Maier, L.; Diehm, C.; Deutschmann, O. (2015). Methane oxidation over palladium. Kinetics of the catalytic partial oxidation. 24th North American Meeting of the Catalysis Society, Pittsburgh, Pa., June 14- 19, 2015.
Stotz, H.; Maier, L.; Diehm, C.; Deutschmann, O. (2015). Methane oxidation over palladium. Kinetics of the catalytic partial oxidation. 12th European Congress on Catalysis (Europact XII), Kazan, Russia, August 30 - September 4, 2015.
Posters
Rischard, J.; Diehm, C.; Maier, L.; Deutschmann, O. (2015). Oxidative dehydrogenation of n-butane with Mo-V-MgO catalysts in a two-zone fluidized bed reactor. 24th North American Meeting of the Catalysis Society, Pittsburgh, Pa., June 14- 19, 2015.
Stotz, H.; Maier, L.; Deutschmann, O. (2015). Methane oxidation over palladium: On the mechanism in rich methane-oxygen mixtures at high temperatures. 48.Jahrestreffen Deutscher Katalytiker, Weimar, 11.-13. März 2015.

For more publications and teaching activities please visit our webpage at the Institute for Chemical Technology and Polymer Chemistry