TY - GEN A1 - Günther, Vivien A1 - Mauß, Fabian A1 - Klauer, Christian A1 - Schlawitschek, Christiane T1 - Kinetic Monte Carlo simulation of the epitaxial growth of Si(100) T2 - Physica status solidi : C Y1 - 2012 SN - 1610-1634 VL - 9 IS - 10-11 SP - 1955 EP - 1962 ER - TY - CHAP A1 - Aslanjan, Jana A1 - Klauer, Christian A1 - Günther, Vivien A1 - Mauß, Fabian T1 - On the Influence of Inlet Gas Variations and Gas Phase Chemistry in a Three-Way Catalyst T2 - COMODIA - The Ninth International Conference on Modeling and Diagnostics for Advanced, July 25, 2017 - July 28, 2017 N2 - The conversion effects of a three-way catalyst are simulated in previous works using single and multiple representative channel approaches with detailed surface kinetic models. In addition, this article introduces global gas phase chemistry to the model. This allows reflecting ongoing reactions due to incomplete combustion products in low temperature regime. The 1D single-channel model representative for the catalyst is used here. Next to the comparison of the catalyst outlet emissions with and without gas phase chemistry, the transient temperature increase is simulated in order to model the catalysts light off temperature. Additionally, the transient inlet emissions are enhanced to show the influence of water and hydrogen on the modeling results. The heat transfer is modeled by wall heat losses to provide proper heat dissipation out of the catalyst. The modeling results show a good agreement to the experimental data with low computational cost. Y1 - 2017 U6 - https://doi.org/10.1299/jmsesdm.2017.9.A308 ER - TY - GEN A1 - Franken, Tim A1 - Klauer, Christian A1 - Kienberg, Martin A1 - Matrisciano, Andrea A1 - Mauß, Fabian T1 - Prediction of thermal stratification in an engine-like geometry using a zero-dimensional stochastic reactor model T2 - International Journal of Engine Research KW - Prediction of thermal stratification Y1 - 2019 UR - https://journals.sagepub.com/eprint/5AKgEhAVA8RDS2tQWdGK/full SN - 2041-3149 U6 - https://doi.org/10.1177/1468087418824217 SN - 1468-0874 ER - TY - CHAP A1 - Aslanjan, Jana A1 - Klauer, Christian A1 - Guenther, Vivien A1 - Mauß, Fabian T1 - Simulation of a three-way catalyst using a transient multi-channel model T2 - Digital Proceedings of the 8th European Combustion Meeting (ECM 2017), Dubrovnik, Croatia N2 - The conversion effects of a three-way catalyst (TWC) are simulated in previous works using single-channel approaches and detailed kinetic models. In addition to the single-channel model multiple representative catalyst channels are used in this work to take heat transfer between the channels into account. Furthermore, different inlet temperature distributions are considered and tested. An experimental four-stroke engine setup with emission outputs fed into a TWC is used to validate the model. Furthermore, the temperature progress is simulated to reflect the catalyst’s light off temperature. Heat conduction between the channels is modeled to provide proper heat dissipation during the catalytic process. A good agreement to the experimental data can be achieved with low computational cost. Y1 - 2017 UR - https://www.researchgate.net/profile/Jana_Aslanjan/publication/319136860_Simulation_of_a_three-way_catalyst_using_a_transient_multi-channel_model/links/59941a8caca272ec9087c553/Simulation-of-a-three-way-catalyst-using-a-transient-multi-channel-model.pdf SP - 570 EP - 574 CY - Dubrovnik ER - TY - GEN A1 - Aslanjan, Jana A1 - Klauer, Christian A1 - Günther, Vivien A1 - Mauß, Fabian T1 - Development of a Physical Parameter Optimizer for 1D Catalyst Modeling on the Example of a Transient Three-Way Catalyst Experiment, 37th International Symposium on Combustion 2018, Dublin N2 - The importance of catalytic after-treatment for automotive emissions is not neglectable concerning current environmental protection discussions. A reasonable and time efficient catalyst model can help to reduce the necessity of time consuming experimental investigations on physical parameters for catalytic converter construction. It can further support the preparation of necessary experimental setups to analyze physical and chemical phenomena in catalysts. Physical parameter and/or chemical kinetic optimizers can be an advanced tool to support computational models in terms of adjustment to an experiment. In this work a physical parameter optimizer is developed and validated against a transient three-way catalyst experiment. The modeling results are compared to the measured data in terms of temperature and emission conversion behavior and show a good agreement. KW - Three-Way Catalyst KW - 1D-Simulation KW - Emissions KW - After Treatment KW - Optimization Y1 - 2018 UR - https://www.researchgate.net/publication/328998399 ER - TY - GEN A1 - Pasternak, Michal A1 - Mauß, Fabian A1 - Klauer, Christian A1 - Matrisciano, Andrea T1 - Diesel engine performance mapping using a parametrized mixing time model T2 - International Journal of Engine Research KW - Diesel engine performance Y1 - 2018 U6 - https://doi.org/10.1177/1468087417718115 SN - 2041-3149 SN - 1468-0874 VL - 19 IS - 2 SP - 202 EP - 213 ER - TY - GEN A1 - Aslanjan, Jana A1 - Klauer, Christian A1 - Günther, Vivien A1 - Mauß, Fabian T1 - Simulation of a three-way-catalyst using a transient multi-channel model N2 - The importance to reduce automotive exhaust gas emissions is constantly increasing. Not only the country-specific laws are getting more stringent also the global increase of automobiles is requiring a responsible handling of the issue. The three-way-catalytic converter (TWC) is one of the most common catalysts for the engine exhaust gas after treatment. The reduction of CO, NO and unburned hydrocarbons is fulfilled via oxidation of carbon monoxide and hydrocarbons, and reduction of nitrogen oxides. These conversion effects were simulated in previous works using single channel approaches [e.g. Fröjd/Mauss, SAE International 2011-01-1306] and detailed kinetic models [e.g Chatterjee et al., Faraday Discussions 119 (2001) 371-384 and Koop et al., Appl. Catal.B: Environmental 91 (2009), 47-58]. In this work multiple representative catalyst channels are used to take heat variations in between the catalyst into account. Each channel is split into a user given number of cells and each cell is treated like a perfectly stirred reactor (PSR). The simulation is validated against an experimental four-stroke engine setup with emission outputs fed into a TWC. Next to the emissions the transient temperature increase is simulated in order to model the catalyst light off temperature. The heat transfer is modelled by wall heat losses to provide a proper heat dissipation out of the catalyst. The simulation results show a good agreement to the experimental data with low computational cost. Y1 - 2017 UR - https://unitedscientificgroup.com/conferences/catalysis/2017/pdfs/CCE-2017_Proceedings.pdf N1 - CCE-2017 International Conference on Catalysis and Chemical Engineering Baltimore, USA, February 22 - 24, 2017 SP - S. 103 ER - TY - GEN A1 - Seidel, Lars A1 - Netzer, Corinna A1 - Hilbig, Martin A1 - Mauß, Fabian A1 - Klauer, Christian A1 - Pasternak, Michal A1 - Matrisciano, Andrea T1 - Systematic reduction of detailed chemical reaction mechanisms for engine applications T2 - Journal of Engineering for Gas Turbines and Power N2 - In this work, we apply a sequence of concepts for mechanism reduction on one reaction mechanism including novel quality control. We introduce a moment-based accuracy rating method for species profiles. The concept is used for a necessity-based mechanism reduction utilizing 0D reactors. Thereafter a stochastic reactor model for internal combustion engines is applied to control the quality of the reduced reaction mechanism during the expansion phase of the engine. This phase is sensitive on engine out emissions, and is often not considered in mechanism reduction work. The proposed process allows to compile highly reduced reaction schemes for computational fluid dynamics application for internal combustion engine simulations. It is demonstrated that the resulting reduced mechanisms predict combustion and emission formation in engines with accuracies comparable to the original detailed scheme. KW - Reaction Mechanism Reduction KW - Engine Modelling Y1 - 2017 U6 - https://doi.org/10.1115/1.4036093 SN - 1528-8919 SN - 0742-4795 VL - 139 IS - 9 SP - 091701-1 EP - 091701-9 ER - TY - GEN A1 - Netzer, Corinna A1 - Seidel, Lars A1 - Pasternak, Michal A1 - Klauer, Christian A1 - Perlman, Cathleen A1 - Ravet, Frédéric A1 - Mauß, Fabian T1 - Engine Knock Prediction and Evaluation Based on Detonation Theory Using a Quasi-Dimensional Stochastic Reactor Mode T2 - SAE technical paper KW - Engine Knock Prediction and Evaluation Based Y1 - 2017 U6 - https://doi.org/10.4271/2017-01-0538 SN - 0096-5170 SN - 0148-7191 IS - 2017-01-0538 SP - 11 Seiten ER - TY - GEN A1 - Aslanjan, Jana A1 - Klauer, Christian A1 - Perlman, Cathleen A1 - Günther, Vivien A1 - Mauß, Fabian T1 - Simulation of a Three-Way Catalyst Using Transient Single and Multi-Channel Models T2 - SAE technical paper KW - Simulation of a Three-Way Catalyst Using Y1 - 2017 U6 - https://doi.org/10.4271/2017-01-0966 SN - 0148-7191 SN - 0096-5170 IS - 2017-01-0966 ER - TY - CHAP A1 - Netzer, Corinna A1 - Seidel, Lars A1 - Pasternak, Michal A1 - Klauer, Christian A1 - Perlman, Cathleen A1 - Ravet, Frédéric A1 - Mauß, Fabian T1 - Impact of Gasoline Octane Rating on Engine Knock using Detailed Chemistry and a Quasi-dimensional Stochastic Reaktior Model T2 - Digital Proceedings of the 8th European Combustion Meeting (ECM 2017), Dubrovnik, Croatia Y1 - 2017 UR - https://www.researchgate.net/publication/319059022 SP - 493 EP - 498 ER - TY - CHAP A1 - Seidel, Lars A1 - Netzer, Corinna A1 - Hilbig, Martin A1 - Mauß, Fabian A1 - Klauer, Christian A1 - Pasternak, Michal A1 - Matrisciano, Andrea T1 - Systematic Reduction of Detailed Chemical Reaction Mechanisms for Engine Applications T2 - ASME 2016 Internal Combustion Engine Division Fall Technical Conference Greenville, South Carolina, USA, October 9–12, 2016 N2 - In this work we apply a sequence of concepts for mechanism reduction on one reaction mechanism including novel quality control. We introduce a moment based accuracy rating method for species profiles. The concept is used for a necessity based mechanism reduction utilizing 0D reactors. Thereafter a stochastic reactor model (SRM) for internal combustion engines is applied to control the quality of the reduced reaction mechanism during the expansion phase of the engine. This phase is sensitive on engine out emissions, and is often not considered in mechanism reduction work. The proposed process allows to compile highly reduced reaction schemes for CFD application for internal combustion engine simulations. It is demonstrated that the resulting reduced mechanisms predict combustion and emission formation in engines with accuracies comparable to the original detailed scheme. KW - Systematic Reduction KW - Chemical Reaction Mechanismus for Engine Applications Y1 - 2016 SN - 978-0-7918-5050-3 N1 - Paper No. ICEF2016-9304 PB - The American Society of Mechanical Engineers CY - New York, N.Y. ER - TY - CHAP A1 - Matrisciano, Andrea A1 - Seidel, Lars A1 - Klauer, Christian A1 - Lehtiniemi, Harry A1 - Mauß, Fabian T1 - An a priori thermodynamic data analysis based chemical lumping method for the reduction of large and multi-component chemical kinetic mechanisms T2 - 5th International Workshop on Model Reduction in Reacting Flows, Lübbenau, 2015 N2 - A chemical species lumping approach for reduction of large hydrocarbons and oxygenated fuels is presented. The methodology is based on an a priori analysis of the Gibbs free energy of the isomer species which is then used as main criteria for the evaluation of lumped group. Isomers with similar Gibbs free energy are lumped assuming they present equal concentrations when applied to standard reactor conditions. Unlike several lumping approaches found in literature, no calculation results from the primary mechanism have been employed prior to the application of our chemical lumping strategy. KW - Combustion, Mechanism Reduction Y1 - 2015 UR - www.modelreduction.net UR - http://modelreduction.net/wp-content/uploads/2015/07/5th_IWMRRF_2015.pdf ER - TY - CHAP A1 - Seidel, Lars A1 - Klauer, Christian A1 - Pasternak, Michal A1 - Matrisciano, Andrea A1 - Netzer, Corinna A1 - Hilbig, Martin A1 - Mauß, Fabian T1 - Systematic Mechanism Reduction for Engine Applications T2 - 5th International Workshop on Model Reduction in Reacting Flows, Lübbenau, 2015 N2 - In this work we apply various concepts of mechanism reduction with a PDF based method for species profile conservation. The reduction process is kept time efficient by only using 0D and 1D reactors. To account for the expansion phase in internal combustion engines a stochastic engine tool is used to validate the reduction steps. KW - Combustion, Mechanism Reduction Y1 - 2015 UR - www.modelreduction.net UR - http://modelreduction.net/wp-content/uploads/2015/07/5th_IWMRRF_2015.pdf ER - TY - CHAP A1 - Matrisciano, Andrea A1 - Seidel, Lars A1 - Klauer, Christian A1 - Mauß, Fabian A1 - Lehtiniemi, Harry T1 - An a priori thermodynamic data analysis based on chemical lumping method for the reduction of large and multi-component chemical kinetic mechanisms T2 - 5th Annual Internation Workshop on Model Reduction in Reaction Flows (IWMRRF) Lübbenau, 28.06-01.07.2015, proceedings Y1 - 2015 ER -