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Title: Importance of turbulence-chemistry interactions at low temperature engine conditions

Journal Article · · Combustion and Flame
 [1];  [1];  [1]
  1. Argonne National Lab. (ANL), Lemont, IL (United States)

The role of turbulence-chemistry interaction in autoignition and flame stabilization is investigated for spray flames at low temperature combustion (LTC) conditions by performing high-fidelity three-dimensional computational fluid dynamics (CFD) simulations. A recently developed Tabulated Flamelet Model (TFM) is coupled with a large eddy simulation (LES) framework and validated across a range of Engine Combustion Network (ECN) ambient temperature conditions for n-dodecane fuel. High resolution grids with 0.0625 mm minimum cell size and 25 million total cell count are implemented using adaptive mesh refinement over the spray and combustion regions. Simulations with these grids and multiple LES realizations, with a 103 species n-dodecane mechanism show good agreement with experimental data for all the ambient conditions investigated. This modeling approach with the computational cost advantage of tabulated chemistry is then extended towards understanding the auto-ignition and flame stabilization at an ambient temperature of 750 K. These low temperature conditions lead to substantially higher ignition delays and flame liftoff lengths, and significantly leaner combustion compared to conventional high temperature diesel combustion. These conditions also require the simulations to span significantly larger temporal and spatial dimensions thereby increasing the computational cost. The TFM approach is able to capture autoignition and flame liftoff length at the low temperature conditions. Significant differences with respect to mixing, species formation and flame stabilization are observed under low temperature compared to conventional diesel combustion. At higher ambient temperatures, formation of formaldehyde is observed in the rich region (phi > 1) followed by the formation of OH in the stoichiometric regions. Under low temperature conditions, formaldehyde is observed to form at leaner regions followed by the onset of OH formation in significantly lean regions of the flame. Qualitative differences between species formation and transient flame development for the high and low temperature conditions are presented. The two stage ignition process is further investigated by studying the species formation in mixture fraction space by solving 1D flamelet equations for different scalar dissipation rates and homogeneous reactor assumption. Results show that scalar dissipation causes these radicals to diffuse within the mixture fraction space. As a result, this significantly enhances ignition and plays a dominant role at such low temperature conditions which cannot be captured by the homogeneous reaction assumption based model.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
1364625
Journal Information:
Combustion and Flame, Vol. 183, Issue C; ISSN 0010-2180
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 42 works
Citation information provided by
Web of Science

References (52)

Non-Sooting, Low Flame Temperature Mixing-Controlled DI Diesel Combustion conference March 2004
Autoignition and front propagation in low temperature combustion engine environments journal November 2011
Influence of compositional stratification on autoignition in n-heptane/air mixtures journal June 2011
Influence of heat release and turbulence on scalar dissipation rate in autoigniting n-heptane/air mixtures journal September 2012
Complex chemistry DNS of n-heptane spray autoignition at high pressure and intermediate temperature conditions journal July 2013
A direct numerical simulation of cool-flame affected autoignition in diesel engine-relevant conditions journal January 2017
Understanding the ignition mechanism of high-pressure spray flames journal January 2017
DNS of a turbulent lifted DME jet flame journal July 2016
Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20 journal December 2011
Large-Eddy Simulation of an n-Dodecane Spray Flame Under Different Ambient Oxygen Conditions journal March 2016
Large eddy simulation of a reacting spray flame with multiple realizations under compression ignition engine conditions journal December 2015
Large Eddy Simulation of n-dodecane spray flames using Flamelet Generated Manifolds journal May 2016
Novel Tabulated Combustion Model Approach for Lifted Spray Flames with Large Eddy Simulations journal April 2016
Predicting diesel combustion characteristics with Large-Eddy Simulations including tabulated chemical kinetics journal January 2013
Large eddy simulation of n-Dodecane spray combustion in a high pressure combustion vessel journal December 2014
Large eddy simulation of turbulent spray combustion journal February 2015
Assessing LES models based on tabulated chemistry for the simulation of Diesel spray combustion journal February 2014
An analysis of the structure of an n-dodecane spray flame using TPDF modelling journal June 2016
Modelling n-dodecane spray and combustion with the transported probability density function method journal May 2015
A Comprehensive Study of Effects of Mixing and Chemical Kinetic Models on Predictions of n-heptane Jet Ignitions with the PDF Method journal April 2013
Transported probability density function modelling of the vapour phase of an n-heptane jet at diesel engine conditions journal January 2013
Influence of EGR on Post-Injection Effectiveness in a Heavy-Duty Diesel Engine Fuelled with n-Heptane journal May 2014
Soot Formation Modeling of n -Heptane Sprays Under Diesel Engine Conditions Using the Conditional Moment Closure Approach journal May 2013
Influence of turbulence–chemistry interaction for n -heptane spray combustion under diesel engine conditions with emphasis on soot formation and oxidation journal March 2014
Manifold resolution study of the FGM method for an igniting diesel spray journal November 2013
Modeling diesel engine combustion using pressure dependent Flamelet Generated Manifolds journal January 2011
Development of a novel flamelet-based model to include preferential diffusion effects in autoignition of CH 4 /H 2 flames journal November 2015
Evaluation of an Unsteady Flamelet Progress Variable Model for Autoignition and Flame Lift-Off in Diesel Jets journal February 2013
Prediction of autoignition in a lifted methane/air flame using an unsteady flamelet/progress variable model journal October 2010
Evaluation of Turbulence-Chemistry Interaction Under Diesel Engine Conditions with Multi-Flamelet rif Model journal January 2014
Comparison of well-mixed and multiple representative interactive flamelet approaches for diesel spray combustion modelling journal January 2014
Simulation of combustion in direct injection diesel engines using a eulerian particle flamelet model journal January 2000
Unsteady flamelet modeling of turbulent hydrogen-air diffusion flames journal January 1998
Modeling Diesel Spray Ignition Using Detailed Chemistry with a Progress Variable Approach journal September 2006
A Spray-Interactive Flamelet Model for Direct Injection Engine Combustion journal April 2012
Assessment of flamelet versus multi-zone combustion modeling approaches for stratified-charge compression ignition engines journal February 2015
An equivalent dissipation rate model for capturing history effects in non-premixed flames journal February 2017
Laminar diffusion flamelet models in non-premixed turbulent combustion journal January 1984
Evaluation of an unsteady flamelet progress variable model for autoignition and flame development in compositionally stratified mixtures journal July 2012
An evaluation of the assumed beta probability density function subgrid-scale model for large eddy simulation of nonpremixed, turbulent combustion with heat release journal January 2000
A reduced mechanism for biodiesel surrogates for compression ignition engine applications journal September 2012
On the generalisation of the mixture fraction to a monotonic mixing-describing variable for the flamelet formulation of spray flames journal November 2015
Vapor−Liquid Equilibrium Data for the Nitrogen + Dodecane System at Temperatures from (344 to 593) K and at Pressures up to 60 MPa
  • García-Córdova, Tomás; Justo-García, Daimler N.; García-Flores, Blanca E.
  • Journal of Chemical & Engineering Data, Vol. 56, Issue 4 https://doi.org/10.1021/je1012372
journal April 2011
An investigation of thermodynamic states during high-pressure fuel injection using equilibrium thermodynamics journal June 2015
Large eddy Simulation of Fuel-Spray Under Non-Reacting ic Engine Conditions journal January 2013
Dynamic One-Equation Nonviscosity Large-Eddy Simulation Model journal April 2002
A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane journal January 2009
Development and validation of an n-dodecane skeletal mechanism for spray combustion applications journal March 2014
Simultaneous formaldehyde PLIF and high-speed schlieren imaging for ignition visualization in high-pressure spray flames journal January 2015
Assessment of model assumptions and budget terms of the unsteady flamelet equations for a turbulent reacting jet-in-cross-flow journal October 2014
Comparisons of Diesel PCCI Combustion Simulations Using a Representative Interactive Flamelet Model and Direct Integration of CFD With Detailed Chemistry journal January 2006
Visualization of Ignition Processes in High-Pressure Sprays with Multiple Injections of n-Dodecane journal January 2015

Cited By (4)

A Novel In Situ Flamelet Tabulation Methodology for the Representative Interactive Flamelet Model journal November 2018
Investigation of turbulence–chemistry interactions in a heavy-duty diesel engine with a representative interactive linear eddy model journal December 2018
Large eddy simulations of diesel-fuel injection and auto-ignition at transcritical conditions journal December 2018
Application of deep artificial neural networks to multi-dimensional flamelet libraries and spray flames journal March 2019