Modelling n-dodecane spray and combustion with the transported probability density function method

Abstract An n-dodecane spray in temperature and pressure conditions typical of diesel engines, known as Spray A, is modelled by the transported probability density function (TPDF) method coupled with a time-dependent Reynolds-averaged k – ∊ turbulence model and a Lagrangian discrete phase model of the liquid spray. To establish a baseline for comparisons, non-reacting cases are first studied. Good results are obtained for the vapour penetration, the mean and variance of fuel mixture fraction, and velocity profiles, with variations in ambient density and injection pressure. These comparisons are more extensive than previous studies due to new experimental data being available. Reacting cases are then investigated for a number of ambient conditions and injection parameters, employing a reduced chemical kinetic model. The chemical mechanism incorporates an OH∗ sub-mechanism (Hall and Petersen, 2006) which enables a direct comparison with experimental measurements of the lift-off length that are based on OH∗ chemiluminescence. To assess the importance of interactions between turbulence and chemistry, the results from the PDF model are compared to the measurements and to those from a well-mixed model that ignores turbulent fluctuations. Variations of ambient temperature, ambient oxygen concentration, ambient density, and injection pressure are considered. In all cases the PDF model with the EMST mixing model and Cϕ = 1.5 shows an excellent agreement with the experimental lift-off length and presents improved results compared with the well-mixed model. Ignition delay is however over-predicted by both the PDF method and well-mixed models. Available shock tube data suggests that this may be due to the chemical kinetic model over-predicting ignition delay at higher pressures.

[1]  S. Pope,et al.  Comparative study of micromixing models in transported scalar PDF simulations of turbulent nonpremixed bluff body flames , 2006 .

[2]  R. Barlow,et al.  Experiments on the scalar structure of turbulent CO/H2/N2 jet flames , 2000 .

[3]  S. Pope,et al.  The effect of mixing models in PDF calculations of piloted jet flames , 2007 .

[4]  C. Law,et al.  Toward accommodating realistic fuel chemistry in large-scale computations , 2009 .

[5]  P. Senecal,et al.  Multi-Dimensional Modeling of Direct-Injection Diesel Spray Liquid Length and Flame Lift-off Length using CFD and Parallel Detailed Chemistry , 2003 .

[6]  C Cemil Bekdemir,et al.  Predicting diesel combustion characteristics with Large-Eddy Simulations including tabulated chemical kinetics , 2013 .

[7]  E. Petersen,et al.  An optimized kinetics model for OH chemiluminescence at high temperatures and atmospheric pressures , 2006 .

[8]  A. Kronenburg,et al.  The Numerical Simulation of Diesel Spray Combustion with LES-CMC , 2012 .

[9]  Jacqueline H. Chen,et al.  A DNS evaluation of mixing models for transported PDF modelling of turbulent nonpremixed flames , 2014 .

[10]  Stephen B. Pope,et al.  Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation , 1997 .

[11]  J. Dukowicz A particle-fluid numerical model for liquid sprays , 1980 .

[12]  Patrick Jenny,et al.  Modeling of turbulent dilute spray combustion , 2012 .

[13]  A. Masri,et al.  Pdf calculations of turbulent lifted flames of H2/N2 fuel issuing into a vitiated co-flow , 2004 .

[14]  Ronald K. Hanson,et al.  n-Dodecane oxidation at high-pressures: Measurements of ignition delay times and OH concentration time-histories , 2009 .

[15]  Francesco Contino,et al.  Comparison of well-mixed and multiple representative interactive flamelet approaches for diesel spray combustion modelling , 2014 .

[16]  Heinz Pitsch,et al.  Hybrid large-eddy simulation/Lagrangian filtered-density-function approach for simulating turbulent combustion , 2005 .

[17]  Caroline L. Genzale,et al.  Comparison of Diesel Spray Combustion in Different High-Temperature, High-Pressure Facilities , 2010 .

[18]  Robert W. Bilger,et al.  Modeling evaporation effects in conditional moment closure for spray autoignition , 2011 .

[19]  J. Janicka,et al.  Closure of the Transport Equation for the Probability Density Funcfion of Turbulent Scalar Fields , 1979 .

[20]  Zhuyin Ren,et al.  An investigation of the performance of turbulent mixing models , 2004 .

[21]  Sebastian A. Kaiser,et al.  REACTION-RATE, MIXTURE-FRACTION, AND TEMPERATURE IMAGING IN TURBULENT METHANE/AIR JET FLAMES , 2002 .

[22]  Probability Density Function Modeling of Turbulent Spray Combustion , 2014 .

[23]  J. Janicka,et al.  Flow field measurements of stable and locally extinguishing hydrocarbon-fuelled jet flames , 2003 .

[24]  R. Clift,et al.  Bubbles, Drops, and Particles , 1978 .

[25]  Daniel C. Haworth,et al.  Simulations of transient n-heptane and n-dodecane spray flames under engine-relevant conditions using a transported PDF method , 2013 .

[26]  Alexander Y. Klimenko,et al.  Sparse-Lagrangian FDF simulations of Sandia Flame E with density coupling , 2011 .

[27]  Dennis L. Siebers,et al.  Relationship Between Diesel Fuel Spray Vapor Penetration/Dispersion and Local Fuel Mixture Fraction , 2011 .

[28]  S. M. Sarathy,et al.  Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20 , 2011 .

[29]  C. Rhie,et al.  Numerical Study of the Turbulent Flow Past an Airfoil with Trailing Edge Separation , 1983 .

[30]  James J. Riley,et al.  Testing of mixing models for Monte Carlo probability density function simulations , 2005 .

[31]  A. García,et al.  The role of detailed chemical kinetics on CFD diesel spray ignition and combustion modelling , 2011, Math. Comput. Model..

[32]  Raul Payri,et al.  Experimental characterization of diesel ignition and lift-off length using a single-hole ECN injector , 2013 .

[33]  Matthew J. Cleary,et al.  Convergence to a Model in Sparse-Lagrangian FDF Simulations , 2010 .

[34]  Johannes Janicka,et al.  Prediction of turbulent jet diffusion flame lift-off using a pdf transport equation , 1982 .

[35]  Raul Payri,et al.  Fuel temperature influence on diesel sprays in inert and reacting conditions , 2012 .

[36]  G. Adomeit,et al.  Self-ignition of diesel-relevant hydrocarbon-air mixtures under engine conditions , 1996 .

[37]  Konstantinos Boulouchos,et al.  Soot Formation Modeling of n-Heptane Sprays Under Diesel Engine Conditions Using the Conditional Moment Closure Approach , 2013 .

[38]  Robert S. Barlow,et al.  Raman/Rayleigh/LIF Measurements in a Turbulent CH4/H2/N2 Jet Diffusion Flame: Experimental Techniques and Turbulence-Chemistry Interaction , 2000 .

[39]  Cherian A. Idicheria,et al.  Effect of EGR on diesel premixed-burn equivalence ratio , 2007 .

[40]  C. Reinsch Smoothing by spline functions , 1967 .

[41]  E. H. Kung,et al.  Transported Probability Density Function (tPDF) Modeling for Direct-Injection Internal Combustion Engines , 2008 .

[42]  Stephen B. Pope,et al.  PDF calculations of turbulent nonpremixed flames with local extinction , 2000 .

[43]  Robert S. Barlow,et al.  Laser diagnostics and their interplay with computations to understand turbulent combustion , 2007 .

[44]  D. Haworth Progress in probability density function methods for turbulent reacting flows , 2010 .

[45]  S. Pope PDF methods for turbulent reactive flows , 1985 .

[46]  J. Abraham,et al.  A NUMERICAL INVESTIGATION OF FLAME LIFT-OFF IN DIESEL JETS , 2007 .

[47]  Yuanjiang Pei,et al.  EVALUATION OF TURBULENCE-CHEMISTRY INTERACTION UNDER DIESEL ENGINE CONDITIONS WITH MULTI-FLAMELET RIF MODEL , 2014 .

[48]  Yuanjiang Pei,et al.  Transported probability density function modelling of the vapour phase of an n-heptane jet at diesel engine conditions , 2013 .

[49]  T. Poinsot,et al.  Numerical simulations of autoignition in turbulent mixing flows , 1997 .

[50]  D. Spalding,et al.  A calculation procedure for heat, mass and momentum transfer in three-dimensional parabolic flows , 1972 .

[51]  Stephen B. Pope,et al.  A mixing model for turbulent reactive flows based on Euclidean minimum spanning trees , 1998 .

[52]  Haiwen Ge,et al.  Simulation of a turbulent spray flame using coupled PDF gas phase and spray flamelet modeling , 2008 .

[53]  Raul Payri,et al.  ENGINE COMBUSTION NETWORK: COMPARISON OF SPRAY DEVELOPMENT, VAPORIZATION, AND COMBUSTION IN DIFFERENT COMBUSTION VESSELS , 2012 .

[54]  Raul Payri,et al.  Engine combustion network (ECN): characterization and comparison of boundary conditions for different combustion vessels , 2012 .

[55]  B. Merci,et al.  Study of the performance of three micromixing models in transported scalar PDF simulations of a piloted jet diffusion flame ( Delft Flame III ) , 2006 .

[56]  Tommaso Lucchini,et al.  Numerical investigation of the spray–mesh–turbulence interactions for high-pressure, evaporating sprays at engine conditions , 2011 .

[57]  R. Reitz,et al.  Development of a Practical Soot Modeling Approach and Its Application to Low-Temperature Diesel Combustion , 2010 .

[58]  A. Gosman,et al.  Aspects of Computer Simulation of Liquid-Fueled Combustors , 1983 .

[59]  John E. Dec,et al.  Advanced compression-ignition engines—understanding the in-cylinder processes , 2009 .

[60]  Tianfeng Lu,et al.  Development and validation of an n-dodecane skeletal mechanism for spray combustion applications , 2014 .

[61]  S. Som,et al.  Effects of primary breakup modeling on spray and combustion characteristics of compression ignition engines , 2010 .

[62]  A. Starikovskii,et al.  Autoignition of n-decane at high pressure , 2008 .

[63]  Stephen B. Pope,et al.  Numerical integration of stochastic differential equations: weak second-order mid-point scheme for application in the composition PDF method , 2003 .

[64]  C Cemil Bekdemir,et al.  Manifold resolution study of the FGM method for an igniting diesel spray , 2013 .

[65]  E. H. Kung,et al.  A PDF method for multidimensional modeling of HCCI engine combustion: effects of turbulence/chemistry interactions on ignition timing and emissions , 2005 .

[66]  R. Barlow,et al.  Scalar length scales and spatial averaging effects in turbulent piloted methane/air jet flames , 2005 .

[67]  C. Westbrook,et al.  A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane , 2009 .

[68]  Evaluation of the Flame Lift-off Length in Diesel Spray Combustion Based on Flame Extinction , 2010 .

[69]  R. Barlow,et al.  Simultaneous Laser Raman-rayleigh-lif Measurements and Numerical Modeling Results of a Lifted Turbulent H2/N2 Jet Flame in a Vitiated Coflow , 2002 .

[70]  Yuanjiang Pei,et al.  A Comprehensive Study of Effects of Mixing and Chemical Kinetic Models on Predictions of n-heptane Jet Ignitions with the PDF Method , 2013 .

[71]  Bassam B. Dally,et al.  Two-photon laser-induced fluorescence measurement of CO in turbulent non-premixed bluff body flames , 2003 .

[72]  A. Masri,et al.  Turbulent lifted flames in a vitiated coflow investigated using joint PDF calculations , 2005 .