Large eddy simulation of a reacting spray flame with multiple realizations under compression ignition engine conditions

Pei, Yuanjiang; Som, Sibendu; Pomraning, Eric; Senecal, Peter K.; Skeen, Scott A.; Manin, Julien; Pickett, Lyle M.

doi:10.1016/j.combustflame.2015.08.010

Large eddy simulation of a reacting spray flame with multiple realizations under compression ignition engine conditions

Journal Article · Tue Dec 01 04:00:00 EST 2015 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2015.08.010· OSTI ID:1392000

Pei, Yuanjiang; Som, Sibendu; Pomraning, Eric; Senecal, Peter K.; Skeen, Scott A.; Manin, Julien; Pickett, Lyle M.

An n-dodecane spray flame (Spray A from Engine Combustion Network) was simulated using a detailed combustion model along with a dynamic structure LES model to evaluate its performance at engine-relevant conditions and understand the transient behavior of this turbulent flame. The liquid spray was treated with a traditional Lagrangian method and the gas-phase reaction was modeled using a detailed combustion model. A 103-species skeletal mechanism was used for the n-dodecane chemical kinetic model. Significantly different flame structures and ignition processes are observed for the LES compared to those of RANS predictions. The LES data suggests that the first ignition initiates in lean mixture and propagates to rich mixture, and the main ignition happens in rich mixture, preferable less than 0.14 in mixture fraction space. LES was observed to have multiple ignition spots in the mixing layer simultaneously while the main ignition initiates in a clearly asymmetric fashion. The temporal flame development also indicates the flame stabilization mechanism is auto-ignition controlled and modulated by flame propagation. Soot predictions by LES present much better agreement with experiments compared to RANS both qualitatively and quantitatively. Multiple realizations for LES were performed to understand the realization to realization variation and to establish best practices for ensemble-averaging diesel spray flames. The relevance index analysis suggests that an average of 2 and 5 realizations can reach 99\% of similarity to the target average of 16 realizations on the temperature and mixture fraction fields, respectively. However, more realizations are necessary for OH and soot mass fraction due to their high fluctuations.

Research Organization:: Argonne National Laboratory (ANL)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1392000

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: 12 Vol. 162; ISSN 0010-2180

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

References (39)

Development and validation of an n-dodecane skeletal mechanism for spray combustion applications Luo, Zhaoyu; Som, Sibendu; Sarathy, S. Mani Combustion Theory and Modelling, Vol. 18, Issue 2 https://doi.org/10.1080/13647830.2013.872807	journal	March 2014
Ten questions concerning the large-eddy simulation of turbulent flows Pope, Stephen B. New Journal of Physics, Vol. 6 https://doi.org/10.1088/1367-2630/6/1/035	journal	January 2004
Large eddy simulation of n-Dodecane spray combustion in a high pressure combustion vessel Gong, Cheng; Jangi, Mehdi; Bai, Xue-Song Applied Energy, Vol. 136 https://doi.org/10.1016/j.apenergy.2014.09.030	journal	December 2014
Evaluation of Turbulence-Chemistry Interaction Under Diesel Engine Conditions with Multi-Flamelet rif Model Kundu, Prithwish; Pei, Yuanjiang; Wang, Mingjie Atomization and Sprays, Vol. 24, Issue 9 https://doi.org/10.1615/AtomizSpr.2014010506	journal	January 2014
Influence of turbulence–chemistry interaction for n -heptane spray combustion under diesel engine conditions with emphasis on soot formation and oxidation Bolla, Michele; Farrace, Daniele; Wright, Yuri M. Combustion Theory and Modelling, Vol. 18, Issue 2 https://doi.org/10.1080/13647830.2014.898795	journal	March 2014
Soot Formation Modeling of n -Heptane Sprays Under Diesel Engine Conditions Using the Conditional Moment Closure Approach Bolla, Michele; Wright, Yuri M.; Boulouchos, Konstantinos Combustion Science and Technology, Vol. 185, Issue 5 https://doi.org/10.1080/00102202.2012.752362	journal	May 2013
Two-Color Diffused Back-Illumination Imaging as a Diagnostic for Time-Resolved Soot Measurements in Reacting Sprays Manin, Julien; Pickett, Lyle M.; Skeen, Scott A. SAE International Journal of Engines, Vol. 6, Issue 4 https://doi.org/10.4271/2013-01-2548	journal	May 2013
Engine Combustion Network (ECN): Global sensitivity analysis of Spray A for different combustion vessels Pei, Yuanjiang; Davis, Michael J.; Pickett, Lyle M. Combustion and Flame, Vol. 162, Issue 6 https://doi.org/10.1016/j.combustflame.2015.01.024	journal	June 2015
Modelling n-dodecane spray and combustion with the transported probability density function method Pei, Yuanjiang; Hawkes, Evatt R.; Kook, Sanghoon Combustion and Flame, Vol. 162, Issue 5 https://doi.org/10.1016/j.combustflame.2014.12.019	journal	May 2015
Comparison of Diesel Spray Combustion in Different High-Temperature, High-Pressure Facilities Pickett, Lyle M.; Genzale, Caroline L.; Bruneaux, Gilles SAE International Journal of Engines, Vol. 3, Issue 2 https://doi.org/10.4271/2010-01-2106	journal	August 2010
Large eddy Simulation of Fuel-Spray Under Non-Reacting ic Engine Conditions Xue, Qingluan; Som, Sibendu; Senecal, Peter K. Atomization and Sprays, Vol. 23, Issue 10 https://doi.org/10.1615/AtomizSpr.2013008320	journal	January 2013
Diesel Spray Ignition Detection and Spatial/Temporal Correction Lillo, Peter M.; Pickett, Lyle M.; Persson, Helena SAE International Journal of Engines, Vol. 5, Issue 3 https://doi.org/10.4271/2012-01-1239	journal	January 2012
Relationship Between Diesel Fuel Spray Vapor Penetration/Dispersion and Local Fuel Mixture Fraction Pickett, Lyle M.; Manin, Julien; Genzale, Caroline L. SAE International Journal of Engines, Vol. 4, Issue 1 https://doi.org/10.4271/2011-01-0686	journal	April 2011
Large-eddy Simulation of Motored Flow in a Two-valve Piston Engine: POD Analysis and Cycle-to-cycle Variations Liu, Kai; Haworth, Daniel C.; Yang, Xiaofeng Flow, Turbulence and Combustion, Vol. 91, Issue 2 https://doi.org/10.1007/s10494-013-9475-7	journal	June 2013
Dynamic One-Equation Nonviscosity Large-Eddy Simulation Model Pomraning, Eric; Rutland, Christopher J. AIAA Journal, Vol. 40, Issue 4 https://doi.org/10.2514/2.1701	journal	April 2002
A Comprehensive Study of Effects of Mixing and Chemical Kinetic Models on Predictions of n-heptane Jet Ignitions with the PDF Method Pei, Yuanjiang; Hawkes, Evatt R.; Kook, Sanghoon Flow, Turbulence and Combustion, Vol. 91, Issue 2 https://doi.org/10.1007/s10494-013-9454-z	journal	April 2013
Predicting diesel combustion characteristics with Large-Eddy Simulations including tabulated chemical kinetics Bekdemir, C.; Somers, L. M. T.; de Goey, L. P. H. Proceedings of the Combustion Institute, Vol. 34, Issue 2 https://doi.org/10.1016/j.proci.2012.06.160	journal	January 2013
Simulations of transient n-heptane and n-dodecane spray flames under engine-relevant conditions using a transported PDF method Bhattacharjee, Subhasish; Haworth, Daniel C. Combustion and Flame, Vol. 160, Issue 10 https://doi.org/10.1016/j.combustflame.2013.05.003	journal	October 2013
Experimental and numerical study of lift-off length and ignition delay of a two-component diesel surrogate Payri, Raúl; Viera, Juan Pablo; Pei, Yuanjiang Fuel, Vol. 158 https://doi.org/10.1016/j.fuel.2014.11.072	journal	October 2015
Turbulence–chemistry interactions in a heavy-duty compression–ignition engine Raj Mohan, V.; Haworth, D. C. Proceedings of the Combustion Institute, Vol. 35, Issue 3 https://doi.org/10.1016/j.proci.2014.06.098	journal	January 2015
Modeling the Effects of Drop Drag and Breakup on Fuel Sprays Liu, Alex B.; Mather, Daniel; Reitz, Rolf D. International Congress & Exposition, SAE Technical Paper Series https://doi.org/10.4271/930072	conference	March 1993
Comparison of well-mixed and multiple representative interactive flamelet approaches for diesel spray combustion modelling D’Errico, G.; Lucchini, T.; Contino, F. Combustion Theory and Modelling, Vol. 18, Issue 1 https://doi.org/10.1080/13647830.2013.860238	journal	January 2014
Simultaneous formaldehyde PLIF and high-speed schlieren imaging for ignition visualization in high-pressure spray flames Skeen, Scott A.; Manin, Julien; Pickett, Lyle M. Proceedings of the Combustion Institute, Vol. 35, Issue 3 https://doi.org/10.1016/j.proci.2014.06.040	journal	January 2015
RANS predictions of turbulent diffusion flames: comparison of a reactor and a flamelet combustion model to the well stirred approach Kösters, Anne; Karlsson, Anders; Oevermann, Michael Combustion Theory and Modelling, Vol. 19, Issue 1 https://doi.org/10.1080/13647830.2014.982342	journal	January 2015
Simulating Flame Lift-Off Characteristics of Diesel and Biodiesel Fuels Using Detailed Chemical-Kinetic Mechanisms and Large Eddy Simulation Turbulence Model Som, Sibendu; Longman, Douglas E.; Luo, Zhaoyu Journal of Energy Resources Technology, Vol. 134, Issue 3 https://doi.org/10.1115/1.4007216	journal	August 2012
Modeling the Effects of Fuel Spray Characteristics on Diesel Engine Combustion and Emission Patterson, Mark A.; Reitz, Rolf D. International Congress & Exposition, SAE Technical Paper Series https://doi.org/10.4271/980131	conference	February 1998
Large eddy simulation of turbulent spray combustion Irannejad, Abolfazl; Banaeizadeh, Araz; Jaberi, Farhad Combustion and Flame, Vol. 162, Issue 2 https://doi.org/10.1016/j.combustflame.2014.07.029	journal	February 2015
Assessing LES models based on tabulated chemistry for the simulation of Diesel spray combustion Tillou, J.; Michel, J. -B.; Angelberger, C. Combustion and Flame, Vol. 161, Issue 2 https://doi.org/10.1016/j.combustflame.2013.09.006	journal	February 2014
Transported probability density function modelling of the vapour phase of an n-heptane jet at diesel engine conditions Pei, Yuanjiang; Hawkes, Evatt R.; Kook, Sanghoon Proceedings of the Combustion Institute, Vol. 34, Issue 2 https://doi.org/10.1016/j.proci.2012.07.033	journal	January 2013
Large-eddy simulations for internal combustion engines – a review Rutland, C. J. International Journal of Engine Research, Vol. 12, Issue 5 https://doi.org/10.1177/1468087411407248	journal	October 2011
Advanced compression-ignition engines—understanding the in-cylinder processes Dec, John E. Proceedings of the Combustion Institute, Vol. 32, Issue 2 https://doi.org/10.1016/j.proci.2008.08.008	journal	January 2009
Large Eddy Simulation of Vaporizing Sprays Considering Multi-Injection Averaging and Grid-Convergent Mesh Resolution Senecal, P. K.; Pomraning, E.; Xue, Q. Journal of Engineering for Gas Turbines and Power, Vol. 136, Issue 11 https://doi.org/10.1115/1.4027449	journal	May 2014
A New Droplet Collision Algorithm Schmidt, David P.; Rutland, C. J. Journal of Computational Physics, Vol. 164, Issue 1 https://doi.org/10.1006/jcph.2000.6568	journal	October 2000
Nine-step phenomenological diesel soot model validated over a wide range of engine conditions Tao, Feng; Reitz, Rolf D.; Foster, David E. International Journal of Thermal Sciences, Vol. 48, Issue 6 https://doi.org/10.1016/j.ijthermalsci.2008.08.014	journal	June 2009
An extended multi-zone combustion model for PCI simulation Kodavasal, Janardhan; Keum, SeungHwan; Babajimopoulos, Aristotelis Combustion Theory and Modelling, Vol. 15, Issue 6 https://doi.org/10.1080/13647830.2011.578663	journal	December 2011
Effects of primary breakup modeling on spray and combustion characteristics of compression ignition engines Som, S.; Aggarwal, S. K. Combustion and Flame, Vol. 157, Issue 6 https://doi.org/10.1016/j.combustflame.2010.02.018	journal	June 2010
Models for Combustion and Formation of Nitric Oxide and Soot in Direct Injection Diesel Engines Hiroyasu, H.; Kadota, T. 1976 Automotive Engineering Congress and Exposition, SAE Technical Paper Series https://doi.org/10.4271/760129	conference	February 1976
Conceptual models for partially premixed low-temperature diesel combustion Musculus, Mark P. B.; Miles, Paul C.; Pickett, Lyle M. Progress in Energy and Combustion Science, Vol. 39, Issue 2-3 https://doi.org/10.1016/j.pecs.2012.09.001	journal	April 2013
Visualization of Ignition Processes in High-Pressure Sprays with Multiple Injections of n-Dodecane Skeen, Scott; Manin, Julien; Pickett, Lyle M. SAE International Journal of Engines, Vol. 8, Issue 2 https://doi.org/10.4271/2015-01-0799	journal	January 2015

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LES of n -Dodecane Spray Combustion Using a Multiple Representative Interactive Flamelets Model Davidovic, Marco; Falkenstein, Tobias; Bode, Mathis Oil & Gas Science and Technology – Revue d’IFP Energies nouvelles, Vol. 72, Issue 5 https://doi.org/10.2516/ogst/2017019	journal	September 2017
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Examination of diesel spray combustion in supercritical ambient fluid using large-eddy simulations Chung, Wai Tong; Ma, Peter C.; Ihme, Matthias International Journal of Engine Research, Vol. 21, Issue 1 https://doi.org/10.1177/1468087419868388	journal	August 2019
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Novel approach for adaptive coefficient tuning for the simulation of evaporating high-speed sprays injected into a high-temperature and high-pressure environment Nsikane, Dm; Vogiatzaki, K.; Morgan, Re International Journal of Engine Research, Vol. 21, Issue 7 https://doi.org/10.1177/1468087419878911	journal	October 2019
RANS and LES of a Turbulent Jet Ignition System Fueled with Iso-Octane Gholamisheeri, Masumeh; Givler, Shawn; Toulson, Elisa Flow, Turbulence and Combustion, Vol. 104, Issue 1 https://doi.org/10.1007/s10494-019-00049-5	journal	July 2019
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Recent Advances in Computational Modeling of Primary Atomization of Liquid Fuel Sprays Shinjo, Junji Energies, Vol. 11, Issue 11 https://doi.org/10.3390/en11112971	journal	November 2018
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