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Development of a Reduced Chemical Mechanism for Combustion of Gasoline-Biofuels
Technical Paper
2017-24-0039
ISSN: 0148-7191, e-ISSN: 2688-3627
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English
Abstract
Bio-derived fuels are drawing more and more attention in the internal combustion engine (ICE) research field in recent years. Those interests in use of renewable biofuels in ICE applications derive from energy security issues and, more importantly, from environment pollutant emissions concerns.
High fidelity numerical study of engine combustion requires advanced computational fluid dynamics (CFD) to be coupled with detailed chemical kinetic models.
This task becomes extremely challenging if real fuels are taken into account, as they include a mixture of hundreds of different hydrocarbons, which prohibitively increases computational cost. Therefore, along with employing surrogate fuel models, reduction of detailed kinetic models for multidimensional engine applications is preferred.
In the present work, a reduced mechanism was developed for primary reference fuel (PRF) using the directed relation graph (DRG) approach. The mechanism was generated from an existing detailed mechanism. The adjustment of reaction rate constants of selected reactions was performed and the present reduced mechanism was validated against experiments in terms of ignition delay times, flame speed and HCCI combustion. Employing similar procedures, reduced reaction mechanisms for ethanol and butanol were generated and incorporated into the PRF mechanism to be able to model multi-component gasoline-primary alcohols combustion.
The results show that the present reduced mechanism demonstrates reliable performance in combustion predictions, as well as significant improvement of computational efficiency in multi-dimensional CFD simulations.
Authors
- Daniele Piazzullo - Università di Roma "Tor Vergata"
- Michela Costa - CNR- Istituto Motori
- Vittorio ROCCO - CNR- Istituto Motori
- Youngchul Ra - Michigan Technological University
- Ankith Ullal - Michigan Technological University
- Michela Costa - CNR - Istituto Motori
- Vittorio ROCCO - CNR - Istituto Motori
Citation
Piazzullo, D., Costa, M., Ra, Y., ROCCO, V. et al., "Development of a Reduced Chemical Mechanism for Combustion of Gasoline-Biofuels," SAE Technical Paper 2017-24-0039, 2017, https://doi.org/10.4271/2017-24-0039.Data Sets - Support Documents
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References
- U.S. Environmental Protection Agency Light-Duty Automotive Technology, Carbon Dioxide Emissions, and Fuel Economy Trends: 1975 through 2015 December 2015
- Hula , A. , Alson , J. , Bunker , A. , and Bolon , K. Analysis of Technology Adoption Rates in New Vehicles SAE Technical Paper 2014-01-0781 2014 10.4271/2014-01-0781
- Yao , M. , Zheng , Z. , Liu , H Progress and recent trends in homogeneous charge compression ignition (HCCI) engines Prog. Energy Combust. Sci. 35 5 398 437 2009
- Kokjohn , S. L. , Hanson , R. M. , Splitter , D. A. , Reitz , R. D. Fuel reactivity controlled compression ignition (RCCI): A pathway to controlled high-efficiency clean combustion Int. J. Eng. Res. 12 209 226 2011
- Zhen , X. , Wang , Y. An overview of methanol as an internal combustion engine fuel Renewable Sustainable Energy Rev. 52 477 493 2015
- Viljoen , C. , Yates , A. , Swarts , A. , Balfour , G. et al. An Investigation of the Ignition Delay Character of Different Fuel Components and an Assessment of Various Autoignition Modelling Approaches SAE Technical Paper 2005-01-2084 2005 10.4271/2005-01-2084
- Reitz , R. D. Directions in internal combustion engine research Combust. Flame 160 1 1 8 2013
- Andrae , J. , Johansson , D. , Björnbom , P. , Risberg , P. et al. Co-oxidation in the auto-ignition of primary reference fuels and n-heptane/toluene blends Combust. Flame 140 267 286 2005
- Bradley , D. , Head , R.A. Engine autoignition: the relationship between octane numbers and autoignition delay times Combustion and Flame 147 3 171 184 2006
- Fieweger , K. , Blumenthal , R. , Adomeit , G. Self-ignition of SI engine model fuels: a shock tube investigation at high pressure Combustion and Flame 109 4 599 619 1997
- Hartmann , M. , Gushterova , I. , Fikri , M. , Schulz , C. et al. Autoignition of toluene-doped n-heptane and iso-octane/air mixtures: High-pressure shock-tube experiments and kinetics modeling Combustion and Flame 158 1 172 178 2011
- Huang , Y. , Sung , C.J. , Eng , J. A. Laminar flame speeds of primary reference fuels and reformer gas mixtures Combustion and Flame 139 3 239 251 2004
- Bradley , D. , Hicks , R. A. , Lawes , M. , Sheppard , C. G. W. et al. The measurement of laminar burning velocities and Markstein numbers for iso-octane-air and iso-octane-n-heptane-air mixtures at elevated temperatures and pressures in an explosion bomb Combustion and flame 115 1 126 144 1998
- Cathonnet , M. , Dagaut , M. , Reuillion , P. High pressure oxidation of liquid fuels from low to high temperature Combust. Sci. and Tech 95 233 1994
- Curran , H. J. , Gaffuri , P. , Pitz , W. J. , Westbrook , C. K. A comprehensive modeling study of n-heptane oxidation Combustion and flame 114 1 149 177 1998
- Curran , H. J. , Gaffuri , P. , Pitz , W. J. , Westbrook , C. K. A comprehensive modeling study of iso-octane oxidation Combustion and flame 129 3 253 280 2002
- Fisher , E. M. , Pitz , W. J. , Curran , H. J. , Westbrook , C. K. Detailed chemical kinetic mechanisms for combustion of oxygenated fuels Proceedings of the combustion institute 28 2 1579 1586 2000
- Bounaceur , R. , Da Costa , I. , Fournet , R. , Billaud , F. et al Experimental and modeling study of the oxidation of toluene Int. J. Chem. Kinet. 37 25 49 2005
- Westbrook , C. K. , Pitz , W. J. , Herbinet , O. , Curran , H. J. et al. A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane Combustion and Flame 156 1 181 199 2009
- Lu , T. , Law , C.K. Strategies for mechanism reduction for large hydrocarbons: n-heptane Combust. Flame 154 1-2 153 163 2008
- Lu , T. , Law , C.K. Linear Time Reduction of Large Kinetic Mechanisms with Direct Relation Graph: n-Heptane and iso-Octane Combust. Flame 144 24 36 2006
- Lu , T. Law , C.K. A directed relation graph method for mechanism reduction Proc. Combust. Inst. 30 1 1333 1341 2005
- Pepiot-Desjardins , P. , Pitsch , H. An efficient error-propagation-based reduction method for large chemical kinetic mechanisms Combust. Flame 154 1-2 67 81 2008
- Chaos , M. , Zhao , Z. , Kazakov , A. , Gokulakrishnan et al. A PRF+ toluene surrogate fuel model for simulating gasoline kinetics 5th US combustion Meeting 25 28 2007
- Andrae , J. C. , Brinck , T. , Kalghatgi , G. T. HCCI experiments with toluene reference fuels modeled by a semidetailed chemical kinetic model Combustion and Flame 155 4 696 712 2008
- Risberg , P. , Kalghatgi , G. , and Ångstrom , H. Auto-ignition Quality of Gasoline-Like Fuels in HCCI Engines SAE Technical Paper 2003-01-3215 2003 10.4271/2003-01-3215
- Kalghatgi , G. and Head , R. The Available and Required Autoignition Quality of Gasoline - Like Fuels in HCCI Engines at High Temperatures SAE Technical Paper 2004-01-1969 2004 10.4271/2004-01-1969
- Gauthier , B. M. , Davidson , D. F. , Hanson , R. K. Shock tube determination of ignition delay times in full-blend and surrogate fuel mixtures Combustion and Flame 139 4 300 311 2004
- Peters , N. , Paczko , G. , Seiser , R. , Seshadri , K. Temperature cross-over and non-thermal runaway at two-stage ignition of n-heptane Combustion and Flame 128 1 38 59 2002
- Hasse , C. , Bollig , M. , Peters , N. , Dwyer , H. A. Quenching of laminar iso-octane flames at cold walls Combustion and flame 122 1 117 129 2000
- Brakora , J. , Ra , Y. , Reitz , R. , McFarlane , J. et al. Development and Validation of a Reduced Reaction Mechanism for Biodiesel-Fueled Engine Simulations SAE Int. J. Fuels Lubr. 1 1 675 702 2009 10.4271/2008-01-1378
- Ra , Y. , Reitz , R. D. A reduced chemical kinetic model for IC engine combustion simulations with primary reference fuels Combustion and Flame 155 4 713 738 2008
- Ranzi , E. , Frassoldati , A. , Granata , S. , Faravelli , T. Wide-range kinetic modeling study of the pyrolysis, partial oxidation, and combustion of heavy n-alkanes Industrial & engineering chemistry research 44 14 5170 5183 2005
- Puduppakkam , K. , Liang , L. , Naik , C. , Meeks , E. et al. Combustion and Emissions Modeling of a Gasoline HCCI Engine Using Model Fuels SAE Technical Paper 2009-01-0669 2009 10.4271/2009-01-0669
- Jin , C. , Yao , M. , Liu , H. , Lee , C.-F.F. et al. Progress in the production and application of n-butanol as a biofuel Renew. Sustain. Energ. Rev. 15 4080 4106 2011 10.1016/j.rser.2011.06.001
- Sarathy , S.M. , Oßwald , P. , Hansen , N. , Kohse-Höinghaus , K. Alcohol combustion chemistry Prog. Energy Combust. Sci. 44 40 102 2014 10.1016/j.pecs.2014.04.003
- Marinov , N.M. A detailed chemical kinetic model for high temperature ethanol oxidation Int.J.Chem.Kinet. 31 183 220 1999
- Li , J. , Zhao , Z. , Kazakov , A. , Chaos et al. A comprehensive kinetic mechanism for CO, CH2O and CH3OH combustion Int.J.Chem.Kinet. 39 109 136 2007 10.1002/kin.20218
- Metcalfe , W.K. , Burke , S.M. , Ahmed , S.S. , Curran , H.J. A hierarchical and comparative kinetic modeling study of C1-C2 hydrocarbon and oxygenated fuels Int. J. Chem. Kinet. 45 638 675 2013 10.1002/kin.20802
- Mittal , G. , Burke , S.M. , Davies , V.A. , Parajuli , B. et al. Autoignition of ethanol in a rapid compression machine Combustion and Flame 161 5 1164 1171 2014
- Kumar , K. , Sung , C.-J. Autoignition of methanol: experiments and computations Int. J. Chem. Kinet. 43 175 184 2011 10.1002/kin.20546
- Beeckmann , J. , Cai , L. , Pitsch , H. Experimental investigation of the laminar burning velocities of methanol, ethanol, n-propanol, and n-butanol at high pressure Fuel 117 PartA 340 350 2014 10.1016/j.fuel.2013.09.025
- Leplat , N. , Dagaut , P. , Togbé , C. , Vandooren , J. Numerical and experimental study of ethanol combustion and oxidation in laminar premixed flames and in jet-stirred reactor Combust. Flame 158 705 725 2011 10.1016/j.combustflame.2010.12.008
- Rakopoulos , D.C. , Rakopoulos , C.D. , Kakaras , E.C. , Giakoumis , E.G. Effects of ethanol-diesel fuel blends on the performance and exhaust emissions of heavy duty DI diesel engine Energy Convers. Manag. 49 3155 3162 2008 10.1016/j.enconman.2008.05.023
- Agarwal , A.K. Biofuels (alcohols and biodiesel) applications as fuels for internal combustion engines Prog. Energy Combust. Sci. 33 233 271 2007 10.1016/j.pecs.2006.08.003
- Rakopoulos , D.C. , Rakopoulos , C.D. , Hountalas , D.T. , Kakaras , E.C. et al. Investigation of the performance and emissions of bus engine operating on butanol/diesel fuel blends Fuel 89 2781 2790 2010 10.1016/j.fuel.2010.03.047
- Yao , M. , Wang , H. , Zheng , Z. , Yue , Y. Experimental study of n-butanol additive and multi-injectionon HD diesel engine performance and emissions Fuel 89 2191 2201 2010 10.1016/j.fuel.2010.04.008
- Gu , X. , Huang , Z. , Cai , J. , Gong , J. et al. Emission characteristics of a spark-ignition engine fuelled with gasoline-n-butanol blends in combination with EGR Fuel 93 611 617 2012 10.1016/j.fuel.2011.11.040
- Chen , Z. , Wu , Z. , Liu , J. , Lee , C. Combustion and emissions characteristics of high n-butanol/diesel ratio blend in a heavy-duty diesel engine and EGR impact Energy Convers. Manag. 78 787 795 2014 10.1016/j.enconman.2013.11.037
- Liu , H. , Wang , X. , Zheng , Z. , Gu , J. et al. Experimental and simulation investigation of the combustion characteristics and emissions using n-butanol/biodiesel dual-fuel injection on a diesel engine Energy 74 741 752 2014 10.1016/j.energy.2014.07.041
- Wang , H. , Zheng , Z. , Yao , M. , Reitz , R.D. An experimental and numerical study on the effects of fuel properties on the combustion and emissions of low-temperature combustion diesel engines Combust. Sci. Technol. 186 1795 1815 2014 10.1080/00102202.2014.920836
- Wang , H. , Yao , M. , Reitz , R.D. Development of a Reduced Primary Reference Fuel (PRF) Mechanism for IC Engine Combustion Simulations Energy & Fuels 27 7843 53 2013
- Sarathy , S. M. , Vranckx , S. , Yasunaga , K. , Mehl et al. A comprehensive chemical kinetic combustion model for the four butanol isomers Combustion and Flame 159 6 2028 2055 2012
- Lu , T. , Law , C. K. Linear time reduction of large kinetic mechanisms with directed relation graph: n-Heptane and iso-octane Combustion and Flame 144 1 24 36 2006
- Patel , A. , Kong , S. , and Reitz , R. Development and Validation of a Reduced Reaction Mechanism for HCCI Engine Simulations SAE Technical Paper 2004-01-0558 2004 10.4271/2004-01-0558
- Brakora , J. , Ra , Y. , Reitz , R. , McFarlane , J. et al. Development and Validation of a Reduced Reaction Mechanism for Biodiesel-Fueled Engine Simulations SAE Int. J. Fuels Lubr. 1 1 675 702 2009 10.4271/2008-01-1378
- Ra , Y. , Chuahy , F. , Kokjohn , S. Development and validation of a reduced reaction mechanism with a focus on diesel fuel/syngas co-oxidation Fuel 185 663 683 2016
- Cai , L. , Heinz , P. Optimized chemical mechanism for combustion of gasoline surrogate fuels Combustion and Flame 162 5 1623 1637 2015
- Haas , F. M. , Chaos , M. , Dryer , F.L. Low and intermediate temperature oxidation of ethanol and ethanol-PRF blends: An experimental and modeling study Combustion and flame 156 12 2346 2350 2009
- Weber , B. W. , Kumar , K. , Zhang , Y. , Sung , C. J. Autoignition of n-butanol at elevated pressure and low-to-intermediate temperature Combustion and flame 158 5 809 819 2011
- Saisirirat , P. , Togbé , C. , Chanchaona , S. , Foucher , F. et al. Auto-ignition and combustion characteristics in HCCI and JSR using 1-butanol/n-heptane and ethanol/n-heptane blends Proceedings of the Combustion Institute 33 2 3007 3014 2011
- Viggiano , A. , Magi , V. A comprehensive investigation on the emissions of ethanol HCCI engines Applied Energy 93 277 287 2012
- Wang , H. , Del Vescovo , D. , Zheng , Z. , Yao , M. et al. Reaction mechanisms and HCCI combustion processes of mixtures of n-heptane and the butanols Frontiers in Mechanical Engineering 1 3 2015
- Ra , Y. , Loeper , P. , Reitz , R. , Andrie , M. et al. Study of High Speed Gasoline Direct Injection Compression Ignition (GDICI) Engine Operation in the LTC Regime SAE Int. J. Engines 4 1 1412 1430 2011 10.4271/2011-01-1182