0
Research Papers: Fuel Combustion

Large-Eddy Simulation of an n-Dodecane Spray Flame Under Different Ambient Oxygen Conditions

[+] Author and Article Information
Yuanjiang Pei

Transportation Technology R&D Center,
Argonne National Laboratory,
Argonne,
Lemont, IL 60439

Bing Hu

Cummins, Inc.,
Columbus, IN 47202

Sibendu Som

Transportation Technology R&D Center,
Argonne National Laboratory,
Argonne,
Lemont, IL 60439

1Current affiliation: Aramco Research Center, 46535 Peary Court, Novi, MI 48377; e-mail: yuanjiang.pei@aramcoservices.com.

Contributed by the Internal Combustion Engine Division of ASME for publication in the JOURNAL OF ENERGY RESOURCES TECHNOLOGY. Manuscript received January 11, 2016; final manuscript received February 11, 2016; published online March 16, 2016. Editor: Hameed Metghalchi.The United States Government retains, and by accepting the article for publication, the publisher acknowledges that the United States Government retains, a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for United States government purposes.

J. Energy Resour. Technol 138(3), 032205 (Mar 16, 2016) (10 pages) Paper No: JERT-16-1021; doi: 10.1115/1.4032771 History: Received January 11, 2016; Revised February 11, 2016

An n-dodecane spray flame was simulated using a dynamic structure large-eddy simulation (LES) model coupled with a detailed chemistry combustion model to understand the ignition processes and the quasi-steady state flame structures. This study focuses on the effect of different ambient oxygen concentrations, 13%, 15%, and 21%, at an ambient temperature of 900 K and an ambient density of 22.8 kg/m3, which are typical diesel-engine relevant conditions with different levels of exhaust gas recirculation (EGR). The liquid spray was treated with a traditional Lagrangian method. A 103-species skeletal mechanism was used for the n-dodecane chemical kinetic model. It is observed that the main ignitions occur in rich mixture, and the flames are thickened around 35–40 mm off the spray axis due to the enhanced turbulence induced by the strong recirculation upstream, just behind the head of the flames at different oxygen concentrations. At 1 ms after the start of injection (SOI), the soot production is dominated by the broader region of high temperature in rich mixture instead of the stronger oxidation of the high peak temperature. Multiple realizations were performed for the 15% O2 condition to understand the realization-to-realization variation and to establish best practices for ensemble-averaging diesel spray flames. Two indexes are defined. The structure-similarity index (SSI) analysis suggests that at least 5 realizations are needed to obtain 99% similarity for mixture fraction if the average of 16 realizations is used as the target at 0.8 ms. However, this scenario may be different for different scalars of interest. It is found that 6 realizations would be enough to reach 99% of similarity for temperature, while 8 and 14 realizations are required to achieve 99% similarity for soot and OH mass fraction, respectively. Similar findings are noticed at 1 ms. More realizations are needed for the magnitude-similarity index (MSI) for the similar level of similarity as the SSI.

FIGURES IN THIS ARTICLE
<>
Copyright © 2016 by ASME
Your Session has timed out. Please sign back in to continue.

References

Dec, J. E. , 2009, “ Advanced Compression-Ignition Engines Understanding the In-Cylinder Processes,” Proc. Combust. Inst., 32(2), pp. 2727–2742. [CrossRef]
Musculus, M. P. , Miles, P. C. , and Pickett, L. M. , 2013, “ Conceptual Models for Partially Premixed Low-Temperature Diesel Combustion,” Prog. Energy Combust. Sci., 39(2), pp. 246–283. [CrossRef]
Pickett, L. , Bruneaux, G. , and Payri, R. , 2015, “ Engine Combustion Network,” Sandia National Laboratories, Albuquerque, NM, http://www.ca.sandia.gov/ecn
Pei, Y. , Hawkes, E. R. , and Kook, S. , 2013, “ 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(2), pp. 249–280. [CrossRef]
Bolla, M. , Wright, Y. M. , Boulouchos, K. , Borghesi, G. , and Mastorakos, E. , 2013, “ Soot Formation Modeling of n-Heptane Sprays Under Diesel Engine Conditions Using the Conditional Moment Closure Approach,” Combust. Sci. Technol., 185(5), pp. 766–793. [CrossRef]
Bolla, M. , Farrace, D. , Wright, Y. M. , Boulouchos, K. , and Mastorakos, E. , 2014, “ Influence of Turbulence–Chemistry Interaction for n-Heptane Spray Combustion Under Diesel Engine Conditions With Emphasis on Soot Formation and Oxidation,” Combust. Theory Modell., 18(2), pp. 330–360. [CrossRef]
D'Errico, G. , Lucchini, T. , Contino, F. , Jangi, M. , and Bai, X.-S. , 2013, “ Comparison of Well-Mixed and Multiple Representative Interactive Flamelet Approaches for Diesel Spray Combustion Modelling,” Combust. Theory Modell., 18(1), pp. 65–88. [CrossRef]
Pei, Y. , Hawkes, E. R. , Kook, S. , Goldin, G. M. , and Lu, T. , 2015, “ Modelling n-Dodecane Spray and Combustion With the Transported Probability Density Function Method,” Combust. Flame, 162(5), pp. 2006–2019. [CrossRef]
Kundu, P. , Pei, Y. , Wang, M. , Raju, M. , and Som, S. , 2014, “ Evaluation of Turbulence Chemistry Interaction Under Diesel Engine Conditions With Multi-Flamelet RIF Model,” Atomization Sprays, 24(9), pp. 779–800. [CrossRef]
Chishty, M. , Pei, Y. , Hawkes, E. , Bolla, M. , and Kook, S. , 2014, “ Investigation of the Flame Structure of Spray-A Using the Transported Probability Density Function,” 19th Australasian Fluid Mechanics Conference, Melbourne, Australia, Dec. 8–11.
Pope, S. B. , 2000, Turbulent Flows, Cambridge University Press, Cambridge, UK.
Pope, S. B. , 2004, “ Ten Questions Concerning the Large-Eddy Simulation of Turbulent Flows,” New J. Phys., 6(1), p. 35. [CrossRef]
Rutland, C. , 2011, “ Large-Eddy Simulations for Internal Combustion Engines: A Review,” Int. J. Engine Res., 12(5), pp. 421–451. [CrossRef]
Bekdemir, C. , Somers, L. , de Goey, L. , Tillou, J. , and Angelberger, C. , 2013, “ Predicting Diesel Combustion Characteristics With Large-Eddy Simulations Including Tabulated Chemical Kinetics,” Proc. Combust. Inst., 34(2), pp. 3067–3074. [CrossRef]
Tillou, J. , Michel, J.-B. , Angelberger, C. , and Veynante, D. , 2014, “ Assessing LES Models Based on Tabulated Chemistry for the Simulation of Diesel Spray Combustion,” Combust. Flame, 161(2), pp. 525–540. [CrossRef]
Ameen, M. M. , and Abraham, J. , 2014, “ RANS and LES Study of Lift-Off Physics in Reacting Diesel Jets,” SAE Paper No. 2014-01-1118.
Irannejad, A. , Banaeizadeh, A. , and Jaberi, F. , 2015, “ Large Eddy Simulation of Turbulent Spray Combustion,” Combust. Flame, 162(2), pp. 431–450. [CrossRef]
Gong, C. , Jangi, M. , and Bai, X.-S. , 2014, “ Large Eddy Simulation of n-Dodecane Spray Combustion in a High Pressure Combustion Vessel,” Appl. Energy, 136, pp. 373–381. [CrossRef]
Pei, Y. , Hawkes, E. R. , and Kook, S. , 2013, “ Transported Probability Density Function Modelling of the Vapour Phase of an n-Heptane Jet at Diesel Engine Conditions,” Proc. Combust. Inst., 34(2), pp. 3039–3047. [CrossRef]
Hawkes, E. , Pei, Y. , Kook, S. , and Sibendu, S. , 2013, “ An Analysis of the Structure of an n-Dodecane Spray Flame Using PDF Modelling,” Australian Combustion Symposium, Perth, Australia, Nov. 6–8.
Xue, Q. , Som, S. , Senecal, P. K. , and Pomraning, E. , 2013, “ Large Eddy Simulation of Fuel-Spray Under Non-Reacting IC Engine Conditions,” Atomization Sprays, 23(10), pp. 925–955. [CrossRef]
Bhattacharjee, S. , and Haworth, D. C. , 2013, “ Simulations of Transient n-Heptane and n-Dodecane Spray Flames Under Engine-Relevant Conditions Using a Transported PDF Method,” Combust. Flame, 160(10), pp. 2083–2102. [CrossRef]
Pei, Y. , Hawkes, E. R. , Bolla, M. , Kook, S. , Goldin, G. M. , Yang, Y. , Pope, S. B. , and Som, S. , 2015, “ An Analysis of the Structure of an n-Dodecane Spray Flame Using TPDF Modelling,” Combust. Flame (in press).
Pei, Y. , Kundu, P. , Goldin, G. M. , and Som, S. , 2015, “ Large Eddy Simulation of a Reacting Spray Flame Under Diesel Engine Conditions,” SAE Paper No. 2015-01-1844.
Pei, Y. , Mehl, M. , Liu, W. , Lu, T. , Pitz, W. J. , and Som, S. , 2015, “ A Multi-Component Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications,” ASME J. Eng. Gas Turbines Power, 137(11), p. 11502. [CrossRef]
Pei, Y. , Davis, M. J. , Pickett, L. M. , and Som, S. , 2015, “ Engine Combustion Network (ECN): Global Sensitivity Analysis of Spray A for Different Combustion Vessels,” Combust. Flame, 162(6), pp. 2337–2347. [CrossRef]
Pickett, L. M. , Genzale, C. L. , Bruneaux, G. , Malbec, L.-M. , Hermant, L. , Christiansen, C. , and Schramm, J. , 2010, “ Comparison of Diesel Spray Combustion in Different High-Temperature, High-Pressure Facilities,” SAE Int. J. Engines, 3(2), pp. 156–181. [CrossRef]
Pickett, L. M. , Manin, J. , Genzale, C. L. , Siebers, D. L. , Musculus, M. P. , and Idicheria, C. A. , 2011, “ Relationship Between Diesel Fuel Spray Vapor Penetration/Dispersion and Local Fuel Mixture Fraction,” SAE Int. J. Engines, 4(1), pp. 764–799. [CrossRef]
Skeen, S. A. , Manin, J. , and Pickett, L. M. , 2015, “ Simultaneous Formaldehyde PLIF and High-Speed Schlieren Imaging for Ignition Visualization in High-Pressure Spray Flames,” Proc. Combust. Inst., 35(3), pp. 3167–3174. [CrossRef]
Som, S. , and Aggarwal, S. , 2010, “ Effects of Primary Breakup Modeling on Spray and Combustion Characteristics of Compression Ignition Engines,” Combust. Flame, 157(6), pp. 1179–1193. [CrossRef]
Senecal, P. , Richards, K. , Pomraning, E. , Yang, T. , Dai, M. , McDavid, R. , Patterson, M. , Hou, S. , and Shethaji, T. , 2007, “ A New Parallel Cut-Cell Cartesian CFD Code for Rapid Grid Generation Applied to In-Cylinder Diesel Engine Simulations,” SAE Paper No. 2007-01-0159.
Richards, K. , Senecal, P. , and Pomraning, E. , 2013, “ Converge (Version 2.1) Manual,” Convergent Science, Inc., Madison, WI.
Reitz, R. D. , 1987, “ Modeling Atomization Processes in High-Pressure Vaporizing Sprays,” Atomisation Spray Technol., 3(4), pp. 309–337.
Patterson, M. A. , and Reitz, R. D. , 1998, “ Modeling the Effects of Fuel Spray Characteristics on Diesel Engine Combustion and Emission,” SAE Paper No. 980131.
Schmidt, D. P. , and Rutland, C. , 2000, “ A New Droplet Collision Algorithm,” J. Comput. Phys., 164(1), pp. 62–80. [CrossRef]
Frossling, N. , 1956, Evaporation, Heat Transfer, and Velocity Distribution in Two-Dimensional and Rotationally Symmetrical Laminar Boundary-Layer Flow, Vol. 168, NACA, Washington, DC, pp. AD–B189.
Liu, A. B. , Mather, D. , and Reitz, R. D. , 1993, “ Modeling the Effects of Drop Drag and Breakup on Fuel Sprays,” SAE Paper No. 930072.
Pomraning, E. , and Rutland, C. J. , 2002, “ Dynamic One-Equation Nonviscosity Large-Eddy Simulation Model,” AIAA J., 40(4), pp. 689–701. [CrossRef]
Senecal, P. , Pomraning, E. , Richards, K. , and Som, S. , 2013, “ An Investigation of Grid Convergence for Spray Simulations Using an LES Turbulence Model,” SAE Paper No. 2013-01-1083.
Senecal, P. , Pomraning, E. , Richards, K. , Briggs, T. , Choi, C. , McDavid, R. , and Patterson, M. , 2003, “ Multi-Dimensional Modeling of Direct-Injection Diesel Spray Liquid Length and Flame Lift-Off Length Using CFD and Parallel Detailed Chemistry,” SAE Paper No. 2003-01-1043.
Luo, Z. , Som, S. , Sarathy, S. M. , Plomer, M. , Pitz, W. J. , Longman, D. E. , and Lu, T. , 2014, “ Development and Validation of an n-Dodecane Skeletal Mechanism for Spray Combustion Applications,” Combust. Theory Modell., 18(2), pp. 187–203. [CrossRef]
Kodavasal, J. , Keum, S. , and Babajimopoulos, A. , 2011, “ An Extended Multi-Zone Combustion Model for PCI Simulation,” Combust. Theory Modell., 15(6), pp. 893–910. [CrossRef]
Hiroyasu, H. , and Kadota, T. , 1976, “ Models for Combustion and Formation of Nitric Oxide and Soot in Direct Injection Diesel Engines,” SAE Paper No. 760129.
Pei, Y. , Som, S. , Pomraning, E. , Senecal, P. K. , Skeen, S. A. , Manin, J. , and Pickett, L. M. , 2015, “ Large Eddy Simulation of a Reacting Spray Flame With Multiple Realizations Under Compression Ignition Engine Conditions,” Combust. Flame, 162(12), pp. 4442–4455. [CrossRef]
Liu, K. , Haworth, D. C. , Yang, X. , and Gopalakrishnan, V. , 2013, “ Large-Eddy Simulation of Motored Flow in a Two-Valve Piston Engine: Pod Analysis and Cycle-to-Cycle Variations,” Flow, Turbul. Combust., 91(2), pp. 373–403. [CrossRef]
Hu, B. , Banerjee, S. , Liu, K. , Rajamohan, D. , Deur, J. , Xue, Q. , Som, S. , Senecal, P. , and Pomraning, E. , 2015, “ Large Eddy Simulation of a Turbulent Non-Reacting Spray Jet,” ASME Paper No. ICEF2015-1033.

Figures

Grahic Jump Location
Fig. 1

Comparison of calculated ignition delay at different ambient oxygen conditions for (a) Φ  = 1 and (b) Φ  = 2 at 6 MPa with the 103 species chemical kinetic model in a constant-volume homogeneous reactor

Grahic Jump Location
Fig. 2

Computed (a) ignition delay and (b) lift-off length compared to experiments at different ambient oxygen concentrations. The error bars show the experimental uncertainty obtained from Ref. [3].

Grahic Jump Location
Fig. 3

Ignition locations comparison at different ambient oxygen concentrations. The solid line represents the stoichiometric mixture fraction.

Grahic Jump Location
Fig. 4

Scatter plot of temperature in the mixture fraction space for different ambient oxygen conditions during the main ignition stage. The dashed lines are the mean temperature conditional on the mixture fraction, and the solid lines are the stoichiometric mixture fraction at different ambient oxygen concentrations.

Grahic Jump Location
Fig. 5

Ambient oxygen concentration variation of (a) Z, (b) T, (c) OH, and (d) soot on the cross section along the spray axis. The solid line represents the stoichiometric mixture fraction.

Grahic Jump Location
Fig. 6

Flame colored by OH mass fraction on the cross section along the spray axis for different ambient oxygen concentrations at 1 ms. The arrows are the velocity vector with threshold 10 m/s. The solid line is the stoichiometric mixture fraction.

Grahic Jump Location
Fig. 7

Scatter plot of temperature in the mixture fraction space for different ambient oxygen conditions at 1 ms. The dashed lines are the mean temperature conditional on mixture fraction, and the solid lines are the stoichiometric mixture fraction at different ambient oxygen concentrations.

Grahic Jump Location
Fig. 8

Mean temperature conditional on mixture fraction for different ambient oxygen conditions at 1 ms

Grahic Jump Location
Fig. 9

Scatter plot of soot in the (a) mixture fraction and (b) temperature spaces for different ambient oxygen conditions at 1 ms. The dashed lines are the mean soot mass fraction conditional on mixture fraction, and the solid lines are the stoichiometric mixture fraction at different ambient oxygen concentrations.

Grahic Jump Location
Fig. 10

Realization-to-realization variation and ensemble average of 16 calculations of (a) T, (b) OH, and (c) soot on the cross section along the spray axis at 15% ambient oxygen condition. The solid lines represent the stoichiometric mixture fraction.

Grahic Jump Location
Fig. 11

SSI based on mixture fraction, temperature, soot, and OH mass fraction at (a) 0.8 ms and (b) 1.0 ms, respectively, as a function of ensemble size

Grahic Jump Location
Fig. 12

MSI based on mixture fraction, temperature, soot, and OH mass fraction at (a) 0.8 ms and (b) 1.0 ms, respectively, as a function of ensemble size

Tables

Errata

Discussions

Some tools below are only available to our subscribers or users with an online account.

Related Content

Customize your page view by dragging and repositioning the boxes below.

Related Journal Articles
Related eBook Content
Topic Collections

Sorry! You do not have access to this content. For assistance or to subscribe, please contact us:

  • TELEPHONE: 1-800-843-2763 (Toll-free in the USA)
  • EMAIL: asmedigitalcollection@asme.org
Sign In