Multidimensional Numerical Simulations of Knocking Combustion in a Cooperative Fuel Research Engine

Pal, Pinaki; Wu, Yunchao; Lu, Tianfeng; Som, Sibendu; See, Yee Chee; Le Moine, Alexandra

doi:10.1115/1.4040063

Title: Multidimensional Numerical Simulations of Knocking Combustion in a Cooperative Fuel Research Engine

Journal Article · Tue May 15 00:00:00 EDT 2018 · Journal of Energy Resources Technology

DOI:https://doi.org/10.1115/1.4040063· OSTI ID:1463679

Pal, Pinaki ^[1]; Wu, Yunchao ^[2]; Lu, Tianfeng ^[3]; Som, Sibendu ^[4]; See, Yee Chee ^[5]; Le Moine, Alexandra ^[6]

Energy Systems Division,Argonne National Laboratory,9700 S Cass Avenue,Lemont, IL 60439e-mail: pal@anl.gov
Department of Mechanical Engineering,University of Connecticut,Storrs, CT 06269e-mail: yunchao.wu@uconn.edu
Department of Mechanical Engineering,University of Connecticut,Storrs, CT 06269e-mail: tianfeng.lu@uconn.edu
Energy Systems Division,Argonne National Laboratory,9700 S Cass Avenue,Lemont, IL 60439e-mail: ssom@anl.gov
Convergent Science Inc.,6400 Enterprise Lane,Madison, WI 53719e-mail: yeechee.see@convergecfd.com
Convergent Science Inc.,6400 Enterprise Lane,Madison, WI 53719e-mail: alexandraloiero@gmail.com

A numerical approach was developed based on multidimensional computational fluid dynamics (CFD) to predict knocking combustion in a cooperative fuel research (CFR) engine. G-equation model was employed to track the turbulent flame front and a multizone model was used to capture auto-ignition in the end-gas. Furthermore, a novel methodology was developed wherein a lookup table generated from a chemical kinetic mechanism could be employed to provide laminar flame speed as an input to the Gequation model, instead of using empirical correlations. To account for fuel chemistry effects accurately and lower the computational cost, a compact 121-species primary reference fuel (PRF) skeletal mechanism was developed from a detailed gasoline surrogate mechanism using the directed relation graph (DRG) assisted sensitivity analysis (DRGASA) reduction technique. Extensive validation of the skeletal mechanism was performed against experimental data available from the literature on both homogeneous ignition delay and laminar flame speed. The skeletal mechanism was used to generate lookup tables for laminar flame speed as a function of pressure, temperature, and equivalence ratio. The numerical model incorporating the skeletal mechanism was employed to perform simulations under research octane number (RON) and motor octane number (MON) conditions for two different PRFs. Parametric tests were conducted at different compression ratios (CR) and the predicted values of critical CR, delineating the boundary between “no knock” and “knock,” were found to be in good agreement with available experimental data. The virtual CFR engine model was, therefore, demonstrated to be capable of adequately capturing the sensitivity of knock propensity to fuel chemistry.

Cite

Export

Save

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1463679

Journal Information:: Journal of Energy Resources Technology, Vol. 140, Issue 10; ISSN 0195-0738

Publisher:: ASME

Country of Publication:: United States

Language:: English

References (42)

Strategies for mechanism reduction for large hydrocarbons: n-heptane Lu, T.; Law, C. Combustion and Flame, Vol. 154, Issue 1-2 https://doi.org/10.1016/j.combustflame.2007.11.013	journal	July 2008
The outlook for fuels for internal combustion engines Kalghatgi, Gautam T. International Journal of Engine Research, Vol. 15, Issue 4 https://doi.org/10.1177/1468087414526189	journal	March 2014
Thermal boundary layer thickness in the cylinder of a spark-ignition engine Lyford-Pike, Edward J.; Heywood, John B. International Journal of Heat and Mass Transfer, Vol. 27, Issue 10 https://doi.org/10.1016/0017-9310(84)90169-8	journal	October 1984
Laminar flame speeds of primary reference fuels and reformer gas mixtures Huang, Y.; Sung, C.; Eng, J. Combustion and Flame, Vol. 139, Issue 3 https://doi.org/10.1016/j.combustflame.2004.08.011	journal	November 2004
LES prediction and analysis of knocking combustion in a spark ignition engine Robert, A.; Richard, S.; Colin, O. Proceedings of the Combustion Institute, Vol. 35, Issue 3 https://doi.org/10.1016/j.proci.2014.05.154	journal	January 2015
Kinetic modeling of gasoline surrogate components and mixtures under engine conditions Mehl, Marco; Pitz, William J.; Westbrook, Charles K. Proceedings of the Combustion Institute, Vol. 33, Issue 1 https://doi.org/10.1016/j.proci.2010.05.027	journal	January 2011
A temperature wall function formulation for variable-density turbulent flows with application to engine convective heat transfer modeling Han, Zhiyu; Reitz, Rolf D. International Journal of Heat and Mass Transfer, Vol. 40, Issue 3 https://doi.org/10.1016/0017-9310(96)00117-2	journal	February 1997
Chemical kinetics of octane sensitivity in a spark-ignition engine Westbrook, Charles K.; Mehl, Marco; Pitz, William J. Combustion and Flame, Vol. 175 https://doi.org/10.1016/j.combustflame.2016.05.022	journal	January 2017
Assessment of flamelet versus multi-zone combustion modeling approaches for stratified-charge compression ignition engines Pal, Pinaki; Keum, SeungHwan; Im, Hong G. International Journal of Engine Research, Vol. 17, Issue 3 https://doi.org/10.1177/1468087415571006	journal	February 2015
Chemical Kinetic Insights into the Octane Number and Octane Sensitivity of Gasoline Surrogate Mixtures Singh, Eshan; Badra, Jihad; Mehl, Marco Energy & Fuels, Vol. 31, Issue 2 https://doi.org/10.1021/acs.energyfuels.6b02659	journal	February 2017
Detailed Chemistry Promotes Understanding of Octane Numbers and Gasoline Sensitivity Mehl, Marco; Faravelli, Tiziano; Giavazzi, Fulvio Energy & Fuels, Vol. 20, Issue 6 https://doi.org/10.1021/ef060339s	journal	November 2006
Computational Fluid Dynamics Simulation of Gasoline Compression Ignition Kodavasal, Janardhan; Kolodziej, Christopher P.; Ciatti, Stephen A. Journal of Energy Resources Technology, Vol. 137, Issue 3 https://doi.org/10.1115/1.4029963	journal	May 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
Turbulence Modeling of Internal Combustion Engines Using RNG κ-ε Models Han, Z.; Reitz, R. D. Combustion Science and Technology, Vol. 106, Issue 4-6 https://doi.org/10.1080/00102209508907782	journal	January 1995
A directed relation graph method for mechanism reduction Lu, Tianfeng; Law, Chung K. Proceedings of the Combustion Institute, Vol. 30, Issue 1 https://doi.org/10.1016/j.proci.2004.08.145	journal	January 2005
A new indicator for knock detection in gas SI engines Brecq, Guillaume; Bellettre, Jérôme; Tazerout, Mohand International Journal of Thermal Sciences, Vol. 42, Issue 5 https://doi.org/10.1016/S1290-0729(02)00052-2	journal	May 2003
Laminar Flame Speeds of Preheated iso-Octane/O2/N2 and n-Heptane/O2/N2 Mixtures Kumar, K.; Freeh, J. E.; Sung, C. J. Journal of Propulsion and Power, Vol. 23, Issue 2 https://doi.org/10.2514/1.24391	journal	March 2007
A Reduced Mechanism for High-Temperature Oxidation of Biodiesel Surrogates Luo, Zhaoyu; Lu, Tianfeng; Maciaszek, Matthias J. Energy & Fuels, Vol. 24, Issue 12 https://doi.org/10.1021/ef1012227	journal	December 2010
Linear time reduction of large kinetic mechanisms with directed relation graph: n-Heptane and iso-octane Lu, Tianfeng; Law, Chung K. Combustion and Flame, Vol. 144, Issue 1-2 https://doi.org/10.1016/j.combustflame.2005.02.015	journal	January 2006
Characteristics of Syngas Auto-ignition at High Pressure and Low Temperature Conditions with Thermal Inhomogeneities Pal, Pinaki; Mansfield, Andrew B.; Wooldridge, Margaret S. Energy Procedia, Vol. 66 https://doi.org/10.1016/j.egypro.2015.02.003	journal	January 2015
Fuel Effects on Knock, Heat Release and “CARS” Temperatures in a Spark Ignition Engine Kalghatgi, G. T.; Golombok, M.; Snowdon, P. Combustion Science and Technology, Vol. 110-111, Issue 1 https://doi.org/10.1080/00102209508951924	journal	December 1995
Local heat flux measurements in a hydrogen and methane spark ignition engine with a thermopile sensor Demuynck, J.; Raes, N.; Zuliani, M. International Journal of Hydrogen Energy, Vol. 34, Issue 24 https://doi.org/10.1016/j.ijhydene.2009.10.035	journal	December 2009
Laminar burning velocity of gasolines with addition of ethanol Dirrenberger, P.; Glaude, P. A.; Bounaceur, R. Fuel, Vol. 115 https://doi.org/10.1016/j.fuel.2013.07.015	journal	January 2014
Laminar burning velocities of n-heptane, iso-octane, ethanol and their binary and tertiary mixtures van Lipzig, J. P. J.; Nilsson, E. J. K.; de Goey, L. P. H. Fuel, Vol. 90, Issue 8 https://doi.org/10.1016/j.fuel.2011.04.029	journal	August 2011
A Regime Diagram for Autoignition of Homogeneous Reactant Mixtures with Turbulent Velocity and Temperature Fluctuations Im, Hong G.; Pal, Pinaki; Wooldridge, Margaret S. Combustion Science and Technology, Vol. 187, Issue 8 https://doi.org/10.1080/00102202.2015.1034355	journal	February 2015
Determination of and Fuel Structure Effects on Laminar Flame Speeds of C ₁ to C ₈ Hydrocarbons Davis, S. G.; Law, C. K. Combustion Science and Technology, Vol. 140, Issue 1-6 https://doi.org/10.1080/00102209808915781	journal	December 1998
LES analysis for auto-ignition induced abnormal combustion based on a downsized SI engine Pan, Jiaying; Wei, Haiqiao; Shu, Gequn Applied Energy, Vol. 191 https://doi.org/10.1016/j.apenergy.2017.01.044	journal	April 2017
Effects of fuel injection parameters on the performance of homogeneous charge compression ignition at low-load conditions Keum, SeungHwan; Pal, Pinaki; Im, Hong G. International Journal of Engine Research, Vol. 17, Issue 4 https://doi.org/10.1177/1468087415583597	journal	April 2015
Computational characterization of ignition regimes in a syngas/air mixture with temperature fluctuations Pal, Pinaki; Valorani, Mauro; Arias, Paul G. Proceedings of the Combustion Institute, Vol. 36, Issue 3 https://doi.org/10.1016/j.proci.2016.07.059	journal	January 2017
Lifecycle optimized ethanol-gasoline blends for turbocharged engines Zhang, Bo; Sarathy, S. Mani Applied Energy, Vol. 181 https://doi.org/10.1016/j.apenergy.2016.08.052	journal	November 2016
A fully coupled computational fluid dynamics and multi-zone model with detailed chemical kinetics for the simulation of premixed charge compression ignition engines Babajimopoulos, A.; Assanis, D. N.; Flowers, D. L. International Journal of Engine Research, Vol. 6, Issue 5 https://doi.org/10.1243/146808705X30503	journal	October 2005
Flame/Stretch Interactions of Premixed Fuel-Vapor/O/N Flames Kwon, O. C.; Hassan, M. I.; Faeth, G. M. Journal of Propulsion and Power, Vol. 16, Issue 3 https://doi.org/10.2514/2.5598	journal	May 2000
A computational study of syngas auto-ignition characteristics at high-pressure and low-temperature conditions with thermal inhomogeneities Pal, Pinaki; Mansfield, Andrew B.; Arias, Paul G. Combustion Theory and Modelling, Vol. 19, Issue 5 https://doi.org/10.1080/13647830.2015.1068373	journal	July 2015
Burning velocities of mixtures of air with methanol, isooctane, and indolene at high pressure and temperature Metghalchi, Mohamad; Keck, James C. Combustion and Flame, Vol. 48 https://doi.org/10.1016/0010-2180(82)90127-4	journal	January 1982
Large-Eddy Simulation of an n-Dodecane Spray Flame Under Different Ambient Oxygen Conditions Pei, Yuanjiang; Hu, Bing; Som, Sibendu Journal of Energy Resources Technology, Vol. 138, Issue 3 https://doi.org/10.1115/1.4032771	journal	March 2016
LES study of deflagration to detonation mechanisms in a downsized spark ignition engine Robert, A.; Richard, S.; Colin, O. Combustion and Flame, Vol. 162, Issue 7 https://doi.org/10.1016/j.combustflame.2015.04.010	journal	July 2015
Experimental counterflow ignition temperatures and reaction mechanisms of 1,3-butadiene Zheng, X. L.; Lu, T. F.; Law, C. K. Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.07.182	journal	January 2007
Developments in internal combustion engines and implications for combustion science and future transport fuels Kalghatgi, G. T. Proceedings of the Combustion Institute, Vol. 35, Issue 1 https://doi.org/10.1016/j.proci.2014.10.002	journal	January 2015
Knocking Characteristics of Hydrocarbons Lovell, Wheeler G. Industrial & Engineering Chemistry, Vol. 40, Issue 12 https://doi.org/10.1021/ie50468a033	journal	December 1948
Impact of fuel molecular structure on auto-ignition behavior – Design rules for future high performance gasolines Boot, Michael D.; Tian, Miao; Hensen, Emiel J. M. Progress in Energy and Combustion Science, Vol. 60 https://doi.org/10.1016/j.pecs.2016.12.001	journal	May 2017
A fast response thermocouple for internal combustion engine surface temperature measurements Marr, Michael A.; Wallace, James S.; Chandra, Sanjeev Experimental Thermal and Fluid Science, Vol. 34, Issue 2 https://doi.org/10.1016/j.expthermflusci.2009.10.008	journal	February 2010
Self-ignition of S.I. engine model fuels: A shock tube investigation at high pressure Fieweger, K.; Blumenthal, R.; Adomeit, G. Combustion and Flame, Vol. 109, Issue 4 https://doi.org/10.1016/S0010-2180(97)00049-7	journal	June 1997

Similar Records

Numerical Investigation of a Central Fuel Property Hypothesis under Boosted Spark-ignition Conditions

Conference · Wed Jan 01 00:00:00 EST 2020 · OSTI ID:1463679

Pal, Pinaki; Kalvakala, Krishna; Wu, Yunchao; +6 more

Numerical Investigation of a Central Fuel Property Hypothesis Under Boosted Spark-Ignition Conditions

Journal Article · Thu Dec 10 00:00:00 EST 2020 · Journal of Energy Resources Technology · OSTI ID:1463679

Pal, Pinaki; Kalvakala, Krishna; Wu, Yunchao; +6 more

Development of a Virtual CFR Engine Model for Knocking Combustion Analysis

Journal Article · Tue Apr 03 00:00:00 EDT 2018 · SAE International Journal of Engines (Online) · OSTI ID:1463679

Pal, Pinaki; Kolodziej, Christopher P.; Choi, Seungmok; +6 more

Related Subjects

knock
CFD
CFR engine
G-equation
reduced kinetics
spark ignition

Title: Multidimensional Numerical Simulations of Knocking Combustion in a Cooperative Fuel Research Engine

Citation Formats

References (42)

Similar Records

Related Subjects