Research Papers: Fuel Combustion

A Proposed Biodiesel Combustion Kinetics Based on the Computational Fluid Dynamics Results in an Ignition Quality Tester

[+] Author and Article Information
Mahmoud Elhalwagy

Department of Mechanical and
Materials Engineering,
Western University,
London, ON N6A 5B9, Canada
e-mail: melhalwa@uwo.ca

Chao Zhang

Mem. ASME Professor
Department of Mechanical and
Materials Engineering,
Western University,
London, ON N6A 5B9, Canada
e-mail: czhang@eng.uwo.ca

1Corresponding author.

Contributed by the Internal Combustion Engine Division of ASME for publication in the JOURNAL OF ENERGY RESOURCES TECHNOLOGY. Manuscript received October 28, 2018; final manuscript received January 8, 2019; published online February 14, 2019. Assoc. Editor: Stephen A. Ciatti.

J. Energy Resour. Technol 141(8), 082204 (Feb 14, 2019) (13 pages) Paper No: JERT-18-1813; doi: 10.1115/1.4042530 History: Received October 28, 2018; Revised January 08, 2019

In this paper, five biodiesel global combustion decomposition steps are added to a surrogate mechanism to accurately represent the chemical kinetics of the decomposition of different levels of saturation of biodiesel, which are represented by five major fatty acid methyl esters. The reaction constants were tuned based on the results from the numerical simulations of the combustion process in an ignition quality tester (IQT) in order to obtain accurate cetane numbers. The prediction of the complete thermophysical properties of the five constituents is also carried out to accurately represent the physics of the spray and vaporization processes. The results indicated that the combustion behavior is controlled more by the spray and breakup processes for saturated biodiesel constituents than by the chemical delay, which is similar to the diesel fuel combustion behavior. The chemical delay and low temperature reactions were observed to have greater effects on the combustion and ignition delay for the cases of the unsaturated biodiesels. The comparison between the physical ignition delay and overall ignition delay between the saturated and unsaturated biodiesel constituents has also confirmed those stronger effects for the physical delay in the saturated compounds as compared to the unsaturated compounds. The validation of the proposed model is conducted for the simulations of two direct injection diesel engines using palm methyl ester and rape methyl ester.

Copyright © 2019 by ASME
Your Session has timed out. Please sign back in to continue.


Van Gerpen, J. H. , Peterson, C. L. , and Goering, C. E. , 2007, “ Biodiesel: An Alternative Fuel for Compression Ignition Engines,” Agricultural Equipment Technology Conference, Louisville, KY, Feb. 11–14, Paper No. 31.
Mueller, C. J. , Boehman, A. L. , and Martin, G. C. , 2009, “ An Experimental Investigation of the Origin of Increased NOx Emissions When Fueling a Heavy-Duty Compression-Ignition Engine With Soy Biodiesel,” SAE Int. J. Fuels Lubr., 2(1), pp. 789–816. [CrossRef]
Westbrook, C. K. , Naik, C. V. , Herbinet, O. , Pitz, W. J. , Mehl, M. , Sarathy, S. M. , and Curran, H. J. , 2011, “ Detailed Chemical Kinetic Reaction Mechanisms for Soy and Rapeseed Biodiesel Fuels,” Combust. Flame, 158(4), pp. 742–755. [CrossRef]
Saggese, C. , Frassoldati, A. , Cuoci, A. , Faravelli, T. , and Ranzi, E. , 2013, “ A Lumped Approach to the Kinetic Modeling of Pyrolysis and Combustion of Biodiesel Fuels,” Proc. Combust. Inst., 34(1), pp. 427–434. [CrossRef]
Dagaut, P. , Gaı, S. , and Sahasrabudhe, M. , 2007, “ Rapeseed Oil Methyl Ester Oxidation Over Extended Ranges of Pressure, Temperature, and Equivalence Ratio: Experimental and Modeling Kinetic Study,” Proc. Combust. Inst., 31(2), pp. 2955–2961. [CrossRef]
Amsden, A. A. , 1997, “ KIVA-3V: A Block-Structured KIVA Program for Engines With Vertical or Canted Valves,” Los Alamos National Lab, Los Alamos, NM, Report No. LA–13313-MS. https://www.lanl.gov/projects/feynman-center/deploying-innovation/intellectual-property/software-tools/kiva/_assets/docs/KIVA-3V.pdf
Gaïl, S. , Sarathy, S. M. , Thomson, M. J. , Diévart, P. , and Dagaut, P. , 2008, “ Experimental and Chemical Kinetic Modeling Study of Small Methyl Esters Oxidation: Methyl (E)-2-Butenoate and Methyl Butanoate,” Combust. Flame, 155(4), pp. 635–650. [CrossRef]
Seshadri, K. , Lu, T. , Herbinet, O. , Humer, S. , Niemann, U. , Pitz, W. J. , Seiser, R. , and Law, C. K. , 2009, “ Experimental and Kinetic Modeling Study of Extinction and Ignition of Methyl Decanoate in Laminar Non-Premixed Flows,” Proc. Combust. Inst., 32(1), pp. 1067–1074. [CrossRef]
Brakora, J. L. , Ra, Y. , Reitz, R. D. , McFarlane, J. , and Daw, C. S. , 2009, “ Development and Validation of a Reduced Reaction Mechanism for Biodiesel-Fueled Engine Simulations,” SAE Int. J. Fuels Lubr., 1(1), pp. 675–702. https://www.jstor.org/stable/26272041?seq=1#page_scan_tab_contents
Luo, Z. , Plomer, M. , Lu, T. , Som, S. , Longman, D. E. , Sarathy, S. M. , and Pitz, W. J. , 2012, “ A Reduced Mechanism for Biodiesel Surrogates for Compression Ignition Engine Applications,” Fuel, 99, pp. 143–153. [CrossRef]
Ismail, H. M. , Ng, H. K. , Gan, S. , Lucchini, T. , and Onorati, A. , 2013, “ Development of a Reduced Biodiesel Combustion Kinetics Mechanism for CFD Modelling of a Light-Duty Diesel Engine,” Fuel, 106, pp. 388–400. [CrossRef]
Liu, W. , Sivaramakrishnan, R. , Davis, M. J. , Som, S. , Longman, D. E. , and Lu, T. F. , 2013, “ Development of a Reduced Biodiesel Surrogate Model for Compression Ignition Engine Modeling,” Proc. Combust. Inst., 34(1), pp. 401–409. [CrossRef]
Chang, Y. , Jia, M. , Li, Y. , Zhang, Y. , Xie, M. , Wang, H. , and Reitz, R. D. , 2015, “ Development of a Skeletal Oxidation Mechanism for Biodiesel Surrogate,” Proc. Combust. Inst., 35(3), pp. 3037–3044. [CrossRef]
Golovitchev, V. I. , and Yang, J. , 2009, “ Construction of Combustion Models for Rapeseed Methyl Ester Bio-Diesel Fuel for Internal Combustion Engine Applications,” Biotechnol. Adv., 27(5), pp. 641–655. [CrossRef] [PubMed]
Yang, J. , Luo, Z. , Lu, T. , and Golovitchev, V. I. , 2013, “ Kinetic Study of Methyl Palmitate Oxidation in a Jet-Stirred Reactor and an Opposed-Flow Diffusion Flame Using a Semidetailed Mechanism,” Combust. Sci. Technol., 185(5), pp. 711–722. [CrossRef]
An, H. , Yang, W. M. , Maghbouli, A. , Li, J. , and Chua, K. J. , 2014, “ A Skeletal Mechanism for Biodiesel Blend Surrogates Combustion,” Energy Convers. Manage., 81, pp. 51–59. [CrossRef]
Cheng, X. , Ng, H. K. , Gan, S. , Ho, J. H. , and Pang, K. M. , 2015, “ Development and Validation of a Generic Reduced Chemical Kinetic Mechanism for CFD Spray Combustion Modelling of Biodiesel Fuels,” Combust. Flame, 162(6), pp. 2354–2370. [CrossRef]
Liu, T. , Jiaqiang, E. , Yang, W. , Hui, A. , and Cai, H. , 2016, “ Development of a Skeletal Mechanism for Biodiesel Blend Surrogates With Varying Fatty Acid Methyl Esters Proportion,” Appl. Energy, 162, pp. 278–288. [CrossRef]
Yuan, W. , and Hansen, A. C. , 2009, “ Computational Investigation of the Effect of Biodiesel Fuel Properties on Diesel Engine NOx Emissions,” Int. J. Agric. Biol. Eng., 2(2), pp. 41–48. http://www.ijabe.org/index.php/ijabe/article/view/83
Rochaya, D. , 2007, “ Numerical Simulation of Spray Combustion Using Bio-Mass Derived Liquid Fuels,” Ph.D. thesis, Cranfield University, Cranfield, UK. https://dspace.lib.cranfield.ac.uk/handle/1826/2231
Yang, J. , 2012, “ Biodiesel Spray Combustion Modeling Based on a Detailed Chemistry Approach,” Ph.D. thesis, Chalmers University of Technology, Göteborg, Sweden. https://research.chalmers.se/en/publication/156147
Ismail, H. M. , Ng, H. K. , Cheng, X. , Gan, S. , Lucchini, T. , and D'Errico, G. , 2012, “ Development of Thermophysical and Transport Properties for the CFD Simulations of Incylinder Biodiesel Spray Combustion,” Energy Fuels, 26(8), pp. 4857–4870. [CrossRef]
Bogin , G. E., Jr , DeFilippo, A. , Chen, J. Y. , Chin, G. , Luecke, J. , Ratcliff, M. A. , Zigler, B. T. , and Dean, A. M. , 2011, “ Numerical and Experimental Investigation of n-Heptane Autoignition in the Ignition Quality Tester (IQT),” Energy Fuels, 25(12), pp. 5562–5572. [CrossRef]
ASTM International, 2013, “ Standard Test Method for Determination of Ignition Delay and Derived Cetane Number (DCN) of Diesel Fuel Oils by Combustion in a Constant Volume Combustion Chamber Method,” ASTM International, Conshohocken, PA, Standard No. ASTM D7668-13a.
Naik, C. V. , Puduppakkam, K. , Meeks, E. , and Liang, L. , 2012, “ Ignition Quality Tester Guided Improvements to Reaction Mechanisms for n-Alkanes: N-Heptane to n-Hexadecane,” SAE Paper No. 2012-01-0149.
Yang, J. , Johansson, M. , and Golovitchev, V. , 2009, “ Engine Performance and Emissions Formation for RME and Conventional Diesel Oil: A Comparative Study,” ASME Paper No. ICES2009-76121.
Bergman, M. , and Golovitchev, V. , 2008, “ Modification of a Diesel Oil Surrogate Model for 3D CFD Simulation of Conventional and HCCI Combustion,” SAE Paper No. 2008-01-2410.
Anand, K. , Sharma, R. P. , and Mehta, P. S. , 2011, “ A Comprehensive Approach for Estimating Thermo-Physical Properties of Biodiesel Fuels,” Appl. Therm. Eng., 31(2–3), pp. 235–242. [CrossRef]
An, H. , Yang, W. M. , Maghbouli, A. , Chou, S. K. , and Chua, K. J. , 2013, “ Detailed Physical Properties Prediction of Pure Methyl Esters for Biodiesel Combustion Modeling,” Appl. Energy, 102, pp. 647–656. [CrossRef]
Bondi, A. , 1966, “ Estimation of Heat Capacity of Liquids,” Ind. Eng. Chem. Fundam., 5(4), pp. 442–449. [CrossRef]
Daubert, T. E. , and Danner, R. P. , 1989, Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation, Hemisphere, New York.
Pratas, M. J. , Freitas, S. , Oliveira, M. B. , Monteiro, S. C. , Lima, A. S. , and Coutinho, J. A. , 2010, “ Densities and Viscosities of Fatty Acid Methyl and Ethyl Esters,” J. Chem. Eng. Data, 55(9), pp. 3983–3990. [CrossRef]
Blangino, E. , Riveros, A. F. , and Romano, S. D. , 2008, “ Numerical Expressions for Viscosity, Surface Tension and Density of Biodiesel: Analysis and Experimental Validation,” Phys. Chem. Liq., 46(5), pp. 527–547. [CrossRef]
Reid, R. C. , Prausnitz, J. M. , and Poling, B. E. , 1988, The Properties of Gases and Liquids, 4th ed. McGraw-Hill, New York.
Reaction Design, Inc., 2013, “ FORTE, FOR-UG-40132-1307-1,” Reaction Design, San Diego, CA.
Yang, J. , Golovitchev, V. I. , Naik, C. V. , and Meeks, E. , 2012, “ Comparative Study of Diesel Oil and Biodiesel Spray Combustion Based on Detailed Chemical Mechanisms,” ASME Paper No. ICES2012-81162.
Liang, L. , Shelburn, A. , Wang, C. , Hodgson, D. , and Meeks, E. , 2011, “ A New Automatic and Dynamic Mesh Generation Technique Based on Immersed Boundary Method,” International Multidimensional Engine Modeling User's Group Meeting, Detroit, MI, Apr. 11, p. 6. https://www.erc.wisc.edu/imem/2011/Meeting-2011/4_Liang-Reaction_Design.pdf
Elhalwagy, M. , and Zhang, C. , 2015, “ Modified Biodiesel Chemical Kinetics Based on Numerical Simulation in an Ignition Quality Tester,” 25th Canadian Conference of Applied Mechanics, London, ON, Canada, May 31–June 4, pp. 264–267.
Liang, L. , Stevens, J. G. , and Farrell, J. T. , 2009, “ A Dynamic Multi-Zone Partitioning Scheme for Solving Detailed Chemical Kinetics in Reactive Flow Computations,” Combust. Sci. Technol., 181(11), pp. 1345–1371. [CrossRef]
Knothe, G. , 2005, “ Dependence of Biodiesel Fuel Properties on the Structure of Fatty Acid Alkyl Esters,” Fuel Process. Technol., 86(10), pp. 1059–1070. [CrossRef]
Zheng, Z. , Badawy, T. , Henein, N. , and Sattler, E. , 2013, “ Investigation of Physical and Chemical Delay Periods of Different Fuels in the Ignition Quality Tester,” ASME J. Eng. Gas Turbines Power, 135(6), p. 061501. [CrossRef]
Ng, H. K. , Gan, S. , Ng, J. H. , and Pang, K. M. , 2013, “ Development and Validation of a Reduced Combined Biodiesel-Diesel Reaction Mechanism,” Fuel, 104, pp. 620–663. [CrossRef]


Grahic Jump Location
Fig. 2

Configuration and dimensions of the IQT [24]: (a) Configuration of the IQT test rig and (b) Geometry and dimensions of the combustion chamber

Grahic Jump Location
Fig. 1

Predicted thermophysical properties for biodiesel constituents in comparison to diesel fuel

Grahic Jump Location
Fig. 3

Computational mesh for the IQT simulation

Grahic Jump Location
Fig. 4

Mesh independence test and fuel injection rate

Grahic Jump Location
Fig. 5

Pressure rise of the biodiesel components in the IQT

Grahic Jump Location
Fig. 6

Liquid and vapor penetration for different biodiesel constituents in the IQT

Grahic Jump Location
Fig. 7

Temperature contours of CFD simulations in the IQT

Grahic Jump Location
Fig. 8

Equivalence ratio time variation with temperature for different biodiesel constituents

Grahic Jump Location
Fig. 9

Overall ignition delay and physical-only delay for different biodiesel constituents. Solid lines: with chemistry and dashed lines: without chemistry.

Grahic Jump Location
Fig. 10

Engine sector meshes: (a) light duty engine [42] and (b) Volvo D12C heavy duty engine [21]

Grahic Jump Location
Fig. 11

Pressure-crank angle diagrams, (a) Volvo D12C heavy duty engine and (b) light duty engine



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