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Investigation of Chemical Kinetics on Soot Formation Event of n-Heptane Spray Combustion
Technical Paper
2014-01-1254
ISSN: 0148-7191, e-ISSN: 2688-3627
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English
Abstract
In this reported work, 2-dimsensional computational fluid dynamics studies of n-heptane combustion and soot formation processes in the Sandia constant-volume vessel are carried out. The key interest here is to elucidate how the chemical kinetics affects the combustion and soot formation events. Numerical computation is performed using OpenFOAM and chemistry coordinate mapping (CCM) approach is used to expedite the calculation. Three n-heptane kinetic mechanisms with different chemistry sizes and comprehensiveness in oxidation pathways and soot precursor formation are adopted. The three examined chemical models use acetylene (C2H2), benzene ring (A1) and pyrene (A4) as soot precursor. They are henceforth addressed as nhepC2H2, nhepA1 and nhepA4, respectively for brevity. Here, a multistep soot model is coupled with the spray combustion solver to simulate the soot formation/oxidation processes. Comparison of the results shows that the simulated ignition delay times and liftoff lengths have good agreements with the experimental measurements across wide range of operating conditions when the nhepC2H2 model is implemented. The performance of this mechanism however drops in cases with low ambient temperatures. Besides, the overall soot precursor and particle distribution prediction is found to be improved with the use of A4 as soot precursor. The variation of the soot precursor production with respect to the change of ambient temperature and oxygen levels qualitatively agrees with that of the conceptual models. Also, the revised nhepC2H2 model replicates the experimental spatial soot distribution reasonably well, although the absolute soot volume fraction values are not reproduced with the default soot model constant values.
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Citation
Pang, K., Jangi, M., Bai, X., and Schramm, J., "Investigation of Chemical Kinetics on Soot Formation Event of n-Heptane Spray Combustion," SAE Technical Paper 2014-01-1254, 2014, https://doi.org/10.4271/2014-01-1254.Also In
References
- Wiedenhoefer , J.F. and Reitz , R.D. Multidimensional Modeling of the Effects of Radiation and Soot Deposition in Heavy-duty Diesel Engines SAE Technical Paper 2003-01-0560 2003
- Dec , J.E. A Conceptual Model of DI Diesel Combustion Based on Laser-Sheet Imaging SAE Technical Paper 970873 1997
- Idicheria , C. and Pickett , L. Soot Formation in Diesel Combustion under High-EGR Conditions SAE Technical Paper 2005-01-3834 2005
- Idicheria , C.A. and Pickett , L.M. Formaldehyde Visualization Near Lift-off Location in a Diesel Jet SAE Technical Paper 2006-01-3434 2006
- Pickett , L. Engine Combustion Network http://www.sandia.gov/ecn/ 22 August 2012
- Lucchini , T. , D'Errico , G. and Ettore , D. Numerical Investigation of the Spray-mesh-turbulence Interactions for High Pressure, Evaporating Sprays at Engine Conditions Int. J. Heat Fluid Fl. 32 285 297 2011
- Lucchini , T. , D'Errico , G. and Ettore , D. and Ferrari , G Numerical Investigation of Non-reacting and Reacting Diesel Sprays in Constant-volume Vessels SAE Technical Paper 2009-01-1971 2009
- D'Errico , G. , Ettore , D. and Lucchini , T. Simplified and Detailed Chemistry Modeling of Constant-volume Diesel Combustion Experiments SAE Technical Paper 2008-01-0954 2008
- Novella , R. , Garcia , A. , Pastor , J.M. and Domenech , V. The role of Detailed Chemical Kinetics on CFD Diesel Spray Ignition and Combustion Modeling Math. Comput. Model. 54 1706 1719 2011
- Wang , H. , Reitz , R.D. , Yao , M. , Yang , B. et al. Development of n-heptane-n-butanol-PAH Mechanism and its Application for Combustion and Soot Prediction Combust. Flame 160 504 519 2013
- Bhattacharjee , S. and Haworth , D.C. Simulations of transient n-heptane ad n-dodecane spray flames under engine-relevant conditions using a transported PDF method Combust. Flame 160 2083 2102 2013
- Pei , Y. , Hawkes , E.R. and Kook , S. A Comprehensive Study of Effects of Mixing and Chemical Kinetic Models on Predictions of n-heptane Jet Ignitions with the PDF Method Flow Turbul. Combust. 91 249 280 2012
- Pei , Y. , Hawkes , E.R. and Kook , S. Transported probability density function modeling of the vapor phase of an n-heptane jet at diesel engine conditions P. Combust. Inst. 34 3039 3047 2013
- Venugopal , R. and Abraham , J. A Review of Fundamental Studies Relevant to Flame Lift-off in Diesel Jets SAE Technical Paper 2007-01-0134 2007
- Kärrholm , F.P. , Tao , F. and Nordin , N. Three-Dimensional Simulation of Diesel Spray Ignition and Flame Lift-Off using OpenFOAM and KIVA-3V CFD Codes SAE Technical Paper 2008-01-0961 2008
- Jangi , M. , Lucchini , T. , D'Errico , G. and Bai , X.-S. Effects of EGR on the Structure and Emissions of Diesel Combustion P. Combust. Inst. 34 3091 3098 2013
- Vishwanathan , G. and Reitz , R.D. Development of a Pratical Soot Modeling Approach and Its Application to Low-Temperature Diesel Combustion Combust. Sci. Tech. 182 1050 1082 2010
- Vishwanathan , G. and Reitz , R.D. Numerical Prediction of Diesel Flame Lift-off Length and Soot Distribution under Low Temperature Combustion, Conditions SAE Technical Paper 2008-01-1331 2008
- Vishwanathan , G. and Reitz , R.D. Modeling Soot Formation Using Reduced Polycyclic Aromatic Hydrocarbon Chemistry in n-Heptane Lifted Flames with Application to Low Temperature Combustion J. Eng. Gas Turb. Power 131 1 7 2009
- Bolla , M. , Wright , Y.M. , Boulouchos , K. , Borghesi , G. et al. Soot formation modeling of n-heptane sprays under Diesel engine conditions using the Conditional Moment Closure approach Combust. Sci. Tech. 185 766 793 2013
- Higgins , B. and Siebers , D. Measurement of the Flame Lift-Off Location on DI Diesel Sprays Using OH Chemiluminescence SAE Technical Paper 2001-01-0918 2001
- Bockhorn , H. Soot Formation in Combustion Mechanisms and Models Springer Series in Chemical Physics 59 Berlin Springer-Verlag 1994 5
- Farrell , J.T. , Cernansky , N.P. , Dryer , F.L. , Friend , D.G. et al. Development of an Experimental Database and Kinetic Models for Surrogate Diesel fuels SAE Technical Paper 2007-01-0201 2007
- Lu , T. Lw , C.K. Strategies for Mechanism Reduction for Large Hydrocarbon: n-Heptane Combust. Flame 154 153 163 2008
- Seiser , H. , Pitsch , H. , Seshadri , K. , Pitz , W.J. et al. Extinction and Autoignition of n-Heptane in Counterflow Configuration P. Combust. Inst. 28 2029 2037 2000
- Golovitchev , V.I. Chalmers University of Technology http://www.tfd.chalmers.se/∼valeri/MECH.html 11 April 2010
- Patel , A. , Kong , S.-C. and Reitz , R. D. Development and Validation of a Reduced Reaction Mechanism for HCCI Engine Simulations SAE Technical Paper 2004-01-0558 2004
- Pang , K.M. , Ng , H.K. and Gan , S. Development of an integrated reduced fuel oxidation and soot precursor formation mechanism for CFD simulations of diesel combustion Fuel 90 2902 2914 2011
- Pang , K.M. , Ng , H.K. and Gan , S. Investigation of Fuel Injection Pattern on Soot Formation and Oxidation Processes in a Light-duty Diesel Engine Using Integrated CFD-Reduced Chemistry Fuel 96 404 418 2012
- Jangi , M. and Bai , X.-S. Multidimensional Chemistry Coordinate Mapping Approach for Combustion Modeling with Finite-Rate Chemistry Combust. Theor. Model. 16 1109 1132 2012
- Jangi , M. , D'Errico , G. , Bai , X.-S. and Lucchini , T. Numerical Simulation of the ECN Spray A Using Multidimensional Chemistry Coordinate Mapping: n-Dodecane Diesel Combustion SAE Technical Paper 2012-01-1660 2012
- Jangi , M. Yu , R. and Bai , X.-S. A Multi-Zone Chemistry Mapping Approach for Direct Numerical Simulation of Auto-Ignition and Flame Propagation in a Constant Volume Enclosure Combust. Theor. Model. 16 221 249 2012
- Anon, California Institute of Technology http://www2.galcit.caltech.edu/EDL/public/codes.html 23 November 2012
- Leung , K.M. , Lindstedt , R.P. and Jones , W.P. A Simplified Reaction Mechanism for Soot Formation in Nonpremixed Flames Combust. Flame 87 289 305 1991
- Beale , J.C. and Reitz , R.D. Modeling Spray Atomization with the Kelvin-Helmholtz/Rayleigh-Taylor Hybrid M l Atomization Spray 9 623 650 1999
- Fenimore , C.P. and Jones , G.W. Oxidation of Soot by Hydroxyl Radicals J. Phys. Chem. 71 593 597 1967
- Lee , K.B. , Thring , M.W. and Beer , J.M. On the Rate of Combustion of Soot in a Laminar Soot Flame Combust. Flame 6 137 145 1962
- Tao , F. and Chomiak , J. Numerical Investigation of Reaction Zone Structure and Flame Liftoff of DI Diesel S p rays with Complex Chemistry SAE Technical Paper 2002-01-1114 2002
- Tao , F. , Golovitchev , V.I. and Chomiak , J. A Phenomenological Model for the Prediction of Soot Formation in Diesel Spray Combustion Combust. Flame 136 270 282 2004
- Kohashi , K. , Fujii , Y. , Kusaka , J. and Daisho , Y. A Numerical Study on Ignition and Combustion of a DI Diesel Engine by Using CFD Code Chemical Combined with Detailed Chemical Kinetics SAE Technical Paper 2003-01-1847 2003
- Glassman , I. Combustion 3rd San Diego Academic Press 1996
- D'Anna , A. , D'Alessio , A. and Minutolo , P Spectroscopic and Chemical Characterization of Soot Inception Processes in Premixed Laminar Flames at Atmospheric Pressure Bockhorn , H. Soot Formation in Combustion, Mechanisms and Models, Springer Series in Chemical Physics 59 Berlin Springer-Verlag 1994
- Zhong , B. and Xi , J. Reduced Kinetic Mechanism of n-Heptane Oxidation in Modeling Polycyclic Aromatic Hydrocarbon Formation in Opposed-flow Diffusion Flames Front. Energ Power Eng. China 2 326 332 2008
- Lu , T. , Law , C.K. , Yoo , C.S. and Chen , J.H. Dynamic Stiffness Removal for Direct Numerical Simulations Combust. Flame 156 1542 1551 2009
- Inal , F. and Senkan , S.M. Effects of Equivalence Ratio on Species and Soot Concentrations in Premixed n-Heptane Flames Combust. Flame 131 16 28 2002