TY - GEN A1 - Mauß, Fabian A1 - Machal, C. A1 - Delfau, J.-L. A1 - Vovelle, C. A1 - Moréac, Gladys A1 - Mounam-Rousselle, G. T1 - Modelling of Aromatics and Soot Formation from Large Fuel Molecules T2 - Proceedings of the Combustion Institute Y1 - 2009 SN - 0082-0784 VL - 32 IS - 1 SP - 753 EP - 760 ER - TY - CHAP A1 - Mauß, Fabian A1 - Netzell, Karl A1 - Machal, C. A1 - Moréac, Gladys T1 - "Modelling the Soot Particle Size Distribution Functions Using a Detailed Kinetic Soot Model and a Sectional Model" Y1 - 2009 ER - TY - JOUR A1 - Mauß, Fabian A1 - Moréac, Gladys A1 - Blurock, Edward S. T1 - Automatic Generation of a Detailed Mechanism for the Oxidation of n-Decane Y1 - 2006 ER - TY - GEN A1 - Mauß, Fabian A1 - Ahmed, Syed Sayeed A1 - Moréac, Gladys A1 - Zeuch, Thomas T1 - "A Comprehensive and Compact n-Heptane Oxidation Model Derived Using Chemical Lumping" Y1 - 2007 ER - TY - GEN A1 - Zeuch, Thomas A1 - Moréac, Gladys A1 - Ahmed, Syed Sayeed A1 - Mauß, Fabian T1 - "A Comprehensive Skeleton Mechanism for the Oxidation of n-heptane Generated by Chemistry Guided Reduction" T2 - Combustion and Flame Y1 - 2008 U6 - https://doi.org/10.1016/j.combustflame.2008.05.007 SN - 0010-2180 VL - 155 IS - 4 SP - 651 EP - 674 ER - TY - CHAP A1 - Mauß, Fabian A1 - Moréac, Gladys A1 - Blurock, Edward S. A1 - Gogan, Adina A1 - Sundén, Bengt A1 - Lehtiniemi, Harry T1 - Automatic Generation of a Detailed Mechanism for the Oxidation of n-Decane Y1 - 2005 ER - TY - CHAP A1 - Mauß, Fabian A1 - Ahmed, Syed Sayeed A1 - Moréac, Gladys A1 - Zeuch, Thomas T1 - "Automatic reduction of n-heptane and iso-octane oxidation mechanism using necessity analysis" Y1 - 2004 ER - TY - CHAP A1 - Marchal, C. A1 - Moréac, Gladys A1 - Netzell, Karl A1 - Kasper, M. A1 - Mauß, Fabian T1 - The pressure dependence of soot particle size distribution functions T2 - Proceedings - 3rd European Combustion Meeting, ECM 2007, Mediterranean Agronomic Institute of Chania, Crete, Greece, 11 - 13 April 2007 Y1 - 2007 N1 - CD-ROM PB - The Combustion Institute, Greek Section CY - Chania ER - TY - CHAP A1 - Ahmed, Syed Sayeed A1 - Moréac, Gladys A1 - Zeuch, Thomas A1 - Mauß, Fabian T1 - Reduced Mechanism for the Oxidation of the Mixtures of n-Heptane and iso-Octane T2 - Proceedings of the European Combustion Meeting, Louvain-la-Neuve, Belgium, April 3 - 6, 2005 Y1 - 2005 N1 - CD-ROM PB - Combustion Inst. CY - Louvain-la-Neuve ER - TY - CHAP A1 - Ahmed, Syed Sayeed A1 - Moréac, Gladys A1 - Zeuch, Thomas A1 - Mauß, Fabian T1 - Efficient lumping technique for the automatic generation of n-heptane and iso-octane oxidation mechanism T2 - 227th ACS National meeting, Anaheim, CA, March 28-April 1, 2004 N2 - The aim of this work is to generate a semi-detailed mechanism for the oxidation of n-heptane and iso-octane mixture with 241 species and 1905 reactions and to optimize it for the different engine operating conditions to cover the full range of temperature. A step wise efficient lumping strategy for different reaction types combine with necessity analysis has been used for the simplification and reduction of mechanism in order to make it faster and less complex in terms of both number of reactions and species. Its validation has been done against the shock tube experimental data from Fieweger et al. for both low and high temperature regions, lean and rich fuel conditions, a range of octane numbers and pressures from 13 bar to 40 bar. In addition, the mechanism was tested using a zero dimensional Homogenous Charge Compression Ignition engine model against experiments under a range of different octane numbers and initial temperatures. Y1 - 2004 SP - 265 EP - 266 PB - American Chemical Society CY - Washington, DC ER - TY - GEN A1 - Shrestha, Krishna Prasad A1 - Seidel, Lars A1 - Zeuch, Thomas A1 - Moréac, Gladys A1 - Dagaut, Philippe A1 - Mauß, Fabian T1 - On the implications of nitromethane – NOx chemistry interactions for combustion processes T2 - Fuel N2 - In this work, we report a detailed investigation of the CH3NO2 chemistry effect on fuel-NO interactions for the fuels methane and n-heptane using a recently developed and extensively validated H2/O2/CO/NOx/NH3/CH3NO2 baseline chemistry. In general, the model predictions show good agreement with temperature profiles of major and intermediate species in jet-stirred reactor experiments and they capture the subtle effect of NO addition. For both fuels, the CH3NO2 kinetics retard the system reactivity in the low temperature range by delaying the production of key radicals like OH and HO2. This explains the retarding effect of NO for n-heptane low temperature ignition and the overprediction of reactivity enhancement by NO in earlier studies on methane combustion. For methane, the recently explored roaming mediated dissociation channel of CH3NO2 to CH3O + NO is a major reaction pathway for CH3NO2 consumption. Our analysis suggests that at higher pressure, relevant to engine conditions, the two key intermediate species HONO and CH3NO2 feature strongly increased concentrations during n-heptane combustion and they may be detectable under such conditions in combustion experiments of this fuel-NOx system. The results of this work call for detailed future investigations of the CH3NO2 chemistry effect in the context of exhaust gas recirculation, also with regard to the suppression of engine knock. KW - Nitromethane KW - NOx KW - Fuel-NOx KW - Kinetic modeling KW - EGR Y1 - 2021 UR - https://www.sciencedirect.com/science/article/pii/S001623612032857X#! U6 - https://doi.org/10.1016/j.fuel.2020.119861 SN - 0016-2361 VL - 289 ER -