0
Research Papers: Internal Combustion Engines

An Enhanced Primary Reference Fuel Mechanism Considering Conventional Fuel Chemistry in Engine Simulation

[+] Author and Article Information
Dezhi Zhou

Department of Mechanical Engineering,
Faculty of Engineering,
National University of Singapore,
Singapore 117575, Singapore
e-mail: dezhizhou@u.nus.edu

Wenming Yang

Department of Mechanical Engineering
Faculty of Engineering
National University of Singapore,
Singapore 117575, Singapore
e-mail: mpeywm@nus.edu.sg

Hui An

Engineering Cluster,
Singapore Institute of Technology,
Singapore 138683, Singapore
e-mail: hui.an@singaporetech.edu.sg

Jing Li

Department of Mechanical Engineering,
Faculty of Engineering,
National University of Singapore,
Singapore 117575, Singapore
e-mail: lijing@u.nus.edu

Markus Kraft

Cambridge CARES C4T,
62 Nanyang Drive,
NTU, SCBE,
Singapore 637459, Singapore
e-mail: mk306@cam.ac.uk

1Corresponding author.

Contributed by the IC Engine Division of ASME for publication in the JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER. Manuscript received January 27, 2016; final manuscript received January 29, 2016; published online March 22, 2016. Editor: David Wisler.

J. Eng. Gas Turbines Power 138(9), 092804 (Mar 22, 2016) (8 pages) Paper No: GTP-16-1038; doi: 10.1115/1.4032713 History: Received January 27, 2016; Revised January 29, 2016

A compact and accurate primary reference fuel (PRF) mechanism which consists of 46 species and 144 reactions was developed and validated to consider the fuel chemistry in combustion simulation based on a homogeneous charged compression ignition (HCCI) mechanism. Some significant reactions were updated to ensure its capabilities for predicting combustion characteristics of PRFs. To better predict the laminar flame speed, the relevant C2–C3 carbon reactions were coupled in. This enhanced PRF mechanism was validated by available experimental data references including ignition delay times, laminar flame speed, premixed flame species concentrations in jet stirred reactor (JSR), rapid compression machine (RCM), and shock tube. The predicted data was calculated by chemkin-ii codes. All the comparisons between experimental and calculated data indicated high accuracy of this mechanism to capture combustion characteristics. Also, this mechanism was integrated into kiva4–chemkin. The engine simulation data (including in-cylinder pressure and apparent heat release rate (HRR)) was compared with experimental data in PRF HCCI, partially premixed compression ignition (PCCI), and diesel/gasoline dual-fuel engine combustion data. The comparison results implied that this mechanism could predict PRF and gasoline/diesel combustion in computational fluid dynamic (CFD) engine simulations. The overall results show this PRF mechanism could predict the conventional fuel combustion characteristics in engine simulation.

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

References

Curran, H. J. , Gaffuri, P. , Pitz, W. J. , and Westbrook, C. K. , 1998, “ A Comprehensive Modeling Study of n-Heptane Oxidation,” Combust. Flame, 114(1), pp. 149–177. [CrossRef]
Mehl, M. , Pitz, W. J. , Westbrook, C. K. , and Curran, H. J. , 2011, “ Kinetic Modeling of Gasoline Surrogate Components and Mixtures Under Engine Conditions,” Proc. Combust. Inst., 33(1), pp. 193–200. [CrossRef]
Jia, M. , and Xie, M. , 2006, “ A Chemical Kinetics Model of Iso-Octane Oxidation for HCCI Engines,” Fuel, 85(17), pp. 2593–2604. [CrossRef]
Liu, Y.-D. , Jia, M. , Xie, M.-Z. , and Pang, B. , 2012, “ Enhancement on a Skeletal Kinetic Model for Primary Reference Fuel Oxidation by Using a Semidecoupling Methodology,” Energy Fuels, 26(12), pp. 7069–7083. [CrossRef]
Ra, Y. , and Reitz, R. D. , 2008, “ A Reduced Chemical Kinetic Model for IC Engine Combustion Simulations With Primary Reference Fuels,” Combust. Flame, 155(4), pp. 713–738. [CrossRef]
Tanaka, S. , Ayala, F. , and Keck, J. C. , 2003, “ A Reduced Chemical Kinetic Model for HCCI Combustion of Primary Reference Fuels in a Rapid Compression Machine,” Combust. Flame, 133(4), pp. 467–481. [CrossRef]
Tsurushima, T. , 2009, “ A New Skeletal PRF Kinetic Model for HCCI Combustion,” Proc. Combust. Inst., 32(2), pp. 2835–2841. [CrossRef]
Yoo, C. S. , Lu, T. , Chen, J. H. , and Law, C. K. , 2011, “ Direct Numerical Simulations of Ignition of a Lean n-Heptane/Air Mixture With Temperature Inhomogeneities at Constant Volume: Parametric Study,” Combust. Flame, 158(9), pp. 1727–1741. [CrossRef]
Wang, H. , Yao, M. , and Reitz, R. D. , 2013, “ Development of a Reduced Primary Reference Fuel Mechanism for Internal Combustion Engine Combustion Simulations,” Energy Fuel, 27(12), pp. 7843–7853. [CrossRef]
Patel, A. , Kong, S.-C. , and Reitz, R. D. , 2004, “ Development and Validation of a Reduced Reaction Mechanism for HCCI Engine Simulations,” SAE Technical Paper No. 2004-01-0558.
Li, J. , Zhao, Z. , Kazakov, A. , Chaos, M. , Dryer, F. L. , and Scire, J. J. , 2007, “ A Comprehensive Kinetic Mechanism for CO, CH2O, and CH3OH Combustion,” Int. J. Chem. Kinet., 39(3), pp. 109–136. [CrossRef]
Niemeyer, K. E. , and Sung, C.-J. , 2011, “ On the Importance of Graph Search Algorithms for DRGEP-Based Mechanism Reduction Methods,” Combust. Flame, 158(8), pp. 1439–1443. [CrossRef]
Baumgarten, C. , 2006, Mixture Formation in Internal Combustion Engines, Springer Science & Business Media, Berlin.
Ewald, J. , and Peters, N. , 2007, “ On Unsteady Premixed Turbulent Burning Velocity Prediction in Internal Combustion Engines,” Proc. Combust. Inst., 31(2), pp. 3051–3058. [CrossRef]
Davis, S. G. , and Law, C. K. , 1998, “ Determination of and Fuel Structure Effects on Laminar Flame Speeds of C1 to C8 Hydrocarbons,” Combust. Sci. Technol., 140(1–6), pp. 427–449. [CrossRef]
Niemeyer, K. E. , Sung, C.-J. , and Raju, M. P. , 2010, “ Skeletal Mechanism Generation for Surrogate Fuels Using Directed Relation Graph With Error Propagation and Sensitivity Analysis,” Combust. Flame, 157(9), pp. 1760–1770. [CrossRef]
Brakora, J. L. , Ra, Y. , Reitz, R. D. , McFarlane, J. , and Daw, C. S. , 2008, “ Development and Validation of a Reduced Reaction Mechanism for Biodiesel-Fueled Engine Simulations,” SAE Technical Paper No. 2008-01-1378.
Lu, T. F. , and Law, C. K. , 2005, “ A Directed Relation Graph Method for Mechanism Reduction,” Proc. Combust. Inst., 30(1), pp. 1333–1341. [CrossRef]
Lu, T. F. , and Law, C. K. , 2006, “ On the Applicability of Directed Relation Graphs to the Reduction of Reaction Mechanisms,” Combust. Flame, 146(3), pp. 472–483. [CrossRef]
Lu, T. F. , and Law, C. K. , 2006, “ Linear Time Reduction of Large Kinetic Mechanisms With Directed Relation Graph: n-Heptane and Iso-Octane,” Combust. Flame, 144(1–2), pp. 24–36. [CrossRef]
Niemeyer, K. E. , and Sung, C. J. , 2011, “ On the Importance of Graph Search Algorithms for DRGEP-Based Mechanism Reduction Methods,” Combust. Flame, 158(8), pp. 1439–1443. [CrossRef]
Lu, T. F. , and Law, C. K. , 2008, “ Strategies for Mechanism Reduction for Large Hydrocarbons: n-Heptane,” Combust. Flame, 154(1–2), pp. 153–163. [CrossRef]
Niemeyer, K. E. , Sung, C. J. , and Raju, M. P. , 2010, “ Skeletal Mechanism Generation for Surrogate Fuels Using Directed Relation Graph With Error Propagation and Sensitivity Analysis,” Combust. Flame, 157(9), pp. 1760–1770. [CrossRef]
Fieweger, K. , Blumenthal, R. , and Adomeit, G. , 1997, “ Self-Ignition of SI Engine Model Fuels: A Shock Tube Investigation at High Pressure,” Combust. Flame, 109(4), pp. 599–619. [CrossRef]
Ciezki, H. , and Adomeit, G. , 1993, “ Shock-Tube Investigation of Self-Ignition of n-Heptane-Air Mixtures Under Engine Relevant Conditions,” Combust. Flame, 93(4), pp. 421–433. [CrossRef]
Huang, Y. , Sung, C. , and Eng, J. , 2004, “ Laminar Flame Speeds of Primary Reference Fuels and Reformer Gas Mixtures,” Combust. Flame, 139(3), pp. 239–251. [CrossRef]
Kumar, K. , Freeh, J. E. , Sung, C. J. , and Huang, Y. , 2007, “ Laminar Flame Speeds of Preheated Iso-Octane/O2/N2 and n-Heptane/O2/N2 Mixtures,” J. Propul. Power, 23(2), pp. 428–436. [CrossRef]
Marchal, C. , Delfau, J.-L. , Vovelle, C. , Moréac, G. , Mounaïm-Rousselle, C. , and Mauss, F. , 2009, “ Modelling of Aromatics and Soot Formation From Large Fuel Molecules,” Proc. Combust. Inst., 32(1), pp. 753–759. [CrossRef]
Dagaut, P. , Reuillon, M. , and Cathonnet, M. , 1993, “ High Pressure Oxidation of Liquid Fuels From Low to High Temperature. 1. n-Heptane and Iso-Octane,” Combust. Sci. Technol., 95(1–6), pp. 233–260. [CrossRef]
Dagaut, P. , Reuillon, M. , and Cathonnet, M. , 1994, “ High Pressure Oxidation of Liquid Fuels From Low to High Temperature. 2. Mixtures of n-Heptane and Iso-Octane,” Combust. Sci. Technol., 103(1–6), pp. 315–336. [CrossRef]
Yang, Y. , Dec, J. E. , Dronniou, N. , and Sjöberg, M. , 2011, “ Tailoring HCCI Heat-Release Rates With Partial Fuel Stratification: Comparison of Two-Stage and Single-Stage-Ignition Fuels,” Proc. Combust. Inst., 33(2), pp. 3047–3055. [CrossRef]
Yang, Y. , Dec, J. E. , Dronniou, N. , Sjöberg, M. , and Cannella, W. , 2011, “ Tailoring HCCI Heat-Release Rates With Partial Fuel Stratification: Comparison of Two-Stage and Single-Stage-Ignition Fuels,” Proc. Combust. Inst., 33, pp. 3047–3055.
Sahoo, D. , Petersen, B. , and Miles, P. C. , 2011, “ Measurement of Equivalence Ratio in a Light-Duty Low Temperature Combustion Diesel Engine by Planar Laser Induced Fluorescence of a Fuel Tracer,” SAE Technical Paper No. 2011-24-0064.

Figures

Grahic Jump Location
Fig. 1

Comparisons of laminar flame speed between different experimental and calculated results (experimental results from Refs. [26,27,34,35]; chemical models from Refs. [4,5,7,9])

Grahic Jump Location
Fig. 2

Measured [24] and predicted ignition delay of different PRF fuel mixtures; initial pressure 40 bar and equivalence ratio 1.0

Grahic Jump Location
Fig. 3

Measured [24] and predicted ignition delay for (a) n-heptane and (b) iso-octane at different pressures; equivalence ratio 1.0

Grahic Jump Location
Fig. 4

Measured [25] and predicted ignition delay for (a) n-heptane and (b) iso-octane at different equivalence ratios; initial pressure 40 bar

Grahic Jump Location
Fig. 5

Measured [26] and predicted laminar flame speed of different PRF fuel mixtures; pressure 1 atm and temperature 298 K

Grahic Jump Location
Fig. 6

Measured [27] and predicted laminar flame speed for (a) n-heptane and (b) iso-octane at different temperatures; pressure 1 atm

Grahic Jump Location
Fig. 7

Measured [28] and predicted intermediate species evolution in (a) n-heptane and (b) iso-octane flame

Grahic Jump Location
Fig. 8

Measured [29,30] and predicted intermediate species profile with different temperatures for (a) n-heptane; (b) PRF50; and (c) iso-octane. 0.1% fuel; equivalence ratio 1.0; residence time 1 s; pressure 10 atm

Grahic Jump Location
Fig. 9

Computational mesh for HCCI, PCCI, and RCCI engine combustion simulations (all shown at 0 deg ATDC)

Grahic Jump Location
Fig. 10

Comparison between experiments [31,32] and simulations for PRF73 HCCI engine

Grahic Jump Location
Fig. 11

Comparison between experiments [33] and simulations for PRF25 PCCI engine

Grahic Jump Location
Fig. 12

Comparison between experiments and simulations for gasoline/diesel dual-fuel engine

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