Research Papers: Internal Combustion Engines

A Detailed Study of the Effects of Biodiesel Addition and Exhaust Gas Recirculation on Diesel Engine PCCI Combustion, Performance and Emission Characteristics by KIVA–CHEMKIN Coupling

[+] Author and Article Information
Alborz Zehni

Department of Mechanical Engineering,
University of Sahand,
Sahand New Town 51335-1996, Iran
e-mail: A_Zehni@sut.ac.ir

Rahim Khoshbakhti Saray

Department of Mechanical Engineering,
University of Sahand,
Sahand New Town 51335-1996, Iran
e-mail: Khoshbakhti@sut.ac.ir

Elahe Neshat

Department of Mechanical Engineering,
University of Sahand,
Sahand New Town 51335-1996, Iran
e-mail: E_Neshat@sut.ac.ir

1Corresponding author.

Contributed by the IC Engine Division of ASME for publication in the JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER. Manuscript received November 28, 2016; final manuscript received August 28, 2017; published online January 17, 2018. Assoc. Editor: Timothy J. Jacobs.

J. Eng. Gas Turbines Power 140(6), 062801 (Jan 17, 2018) (14 pages) Paper No: GTP-16-1550; doi: 10.1115/1.4038456 History: Received November 28, 2016; Revised August 28, 2017

In this study, a numerical study is performed by KIVA–CHEMKIN code to investigate the effects of biodiesel addition and exhaust gas recirculation (EGR) on diesel engine premixed charge compression ignition (PCCI) combustion, performance, and emission characteristics. The studies are performed for neat diesel fuel and mixture of 10–40% biodiesel addition at 67%, 50%, and 40% EGR. For this purpose, a multichemistry surrogate mechanism using methyl decanoate (MD) and methyl-9-decenoate (MD9D) is used. The main innovation of this work is analyzing the chemical, thermodynamic, and dilution effects of biodiesel addition as well as different EGR ratios on PCCI combustion behavior. The results show that the main effect of EGR on PCCI combustion of biodiesel blend is related to the high temperature heat release (HTHR), and its effect on low temperature heat release (LTHR) is low. With increasing biodiesel addition, the role of the chemical effect is increased compared to the thermodynamic and dilution effects. Rate of production analysis (ROPA) indicate that for the different biodiesel ratios, the effect of reaction nC7H16 + HO2 = C7H15-2 + H2O2 is more effective on the start of combustion (SOC) compared to the other reactions. For a defined biodiesel addition, with decreasing EGR, total (unburned) hydrocarbon (THC) and CO are decreased, while NOx and indicated specific fuel consumption (ISFC) are increased.

Copyright © 2018 by ASME
Your Session has timed out. Please sign back in to continue.


Kimura, S. , Aoki, O. , Kitahara, Y. , and Aiyoshizawa, E. , 2001, “Ultra-Clean Combustion Technology Combining a Low-Temperature and Premixed Combustion Concept for Meeting Future Emission Standards,” SAE Technical Paper No. 2001–01-0200.
Shuai, S. , Abani, N. , Yoshikawa, T. , Reitz, R. D. , and Park, S. W. , 2009, “Simulating Low Temperature Diesel Combustion With Improved Spray Models,” Int. J. Therm. Sci., 48(9), pp. 1786–1799. [CrossRef]
Komninos, N. P. , and Rakopoulos, C. D. , 2012, “Modeling HCCI Combustion of Biofuels: A Review,” Renewable Sustainable Energy Rev., 16(3), pp. 1588–1610. [CrossRef]
Imtenan, S. , Varman, M. , Masjuki, H. H. , Kalam, M. A. , Sajjad, H. , Arbab, M. I. , and Rizwanul, F. I. M. , 2014, “Impact of Low Temperature Combustion Attaining Strategies on Diesel Engine Emissions for Diesel and Biodiesels: A Review,” Energy Convers. Manage., 80, pp. 329–356. [CrossRef]
Guo, H. , and Neill, W. S. , 2013, “The Effect of Hydrogen Addition on Combustion and Emission Characteristics of an n-Heptane Fuelled HCCI Engine,” Int. J. Hydrogen Energy, 38(26), pp. 11429–11437. [CrossRef]
Kongsereeparp, P. , and Checkel, M. D. , 2008, “Environmental, Thermodynamic and Chemical Factor Effects on Heptane- and CNG-Fuelled HCCI Combustion With Various Mixture Compositions,” SAE Technical Paper No. 2008-01-0038.
Voshtani, S. , Reyhanian, M. , Ehteram, M. , and Hosseini, V. , 2014, “Investigating Various Effects of Reformer Gas Enrichment on a Natural Gas-Fueled HCCI Combustion Engine,” Int. J. Hydrogen Energy, 39(34), pp. 19799–19809. [CrossRef]
Neshat, E. , Saray, R. K. , and Hosseini, V. , 2016, “Effect of Reformer Gas Blending on Homogeneous Charge Compression Ignition Combustion of Primary Reference Fuels Using Multi Zone Model and Semi Detailed Chemical-Kinetic Mechanism,” Appl. Energy, 179, pp. 463–478. [CrossRef]
Fang, T. , Lin, Y. C. , Foong, T. M. , and Lee, C. F. , 2008, “Reducing NOx Emissions From a Biodiesel-Fueled Engine by Use of Low-Temperature Combustion,” Environ. Sci. Technol., 42(23), pp. 8865–8870. [CrossRef] [PubMed]
Espadafor, F. J. J. , Torres, M. A. , Velez, J. , Carvajal, E. A. , and Becerra, J. , 2012, “Experimental Analysis of Low Temperature Combustion Mode With Diesel and Biodiesel Fuels: A Method for Reducing NOx and Soot Emissions,” Fuel Process. Technol., 103, pp. 57–63. [CrossRef]
Tompkins, B. , Song, H. , Bittle, J. , and Jacobs, T. , 2012, “Biodiesel Later-Phased Low Temperature Combustion Ignition and Burn Rate Behavior on Engine Torque,” SAE Technical Paper No. 2012-01-1305.
Lee, Y. , Jang, K. , Han, K. , Huh, K. Y. , and Oh, S. , 2013, “Simulation of a Heavy Duty Diesel Engine Fueled With Soybean Biodiesel Blends in Low Temperature Combustion,” SAE Paper No. 2013-01-1100.
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]
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]
Amsden, A. A. , 1997, “KIVA-3V: A Block-Structured KIVA Program for Engines With Vertical or Canted Valves,” Los Alamos National Laboratory, Los Alamos, NM, Report No. LA-13313-MS.
Kee, R. J. , Rupley, F. M. , and Miller, J. A. , 1989, “CHEMKIN-II: A FORTRAN Chemical Kinetics Package for the Analyses of Gas Phase Chemical Kinetics,” Sandia Report, SAND 89-8009.
Brown, P. N. , Byrne, G. D. , and Hindmarsh, A. C. , 1989, “VODE: A Variable Coefficient ODE Solver,” SIAM J. Sci. Stat. Comput., 10(5), pp. 1038–1051. [CrossRef]
Han, Z. , and Reitz, R. D. , 1995, “Turbulence Modeling of Internal Combustion Engines Using RNG k-ε Models,” Combust. Sci. Technol., 106(4–6), pp. 267–295. [CrossRef]
Han, Z. , and Reitz, R. D. , 1997, “A Temperature Wall Function Formulation for Variable-Density Turbulent Flows With Application to Engine Convective Heat Transfer Modeling,” Int. J. Heat Mass Transfer, 40(3), pp. 613–625. [CrossRef]
Beale, J. C. , and Reitz, R. D. , 1999, “Modeling Spray Atomization With the Kelvin–Helmholtz/Rayleigh–Taylor Hybrid Model,” Atomization Sprays, 9(6), pp. 623–650. [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]
Brakora, J. , and Reitz, R. , 2013, “A Comprehensive Combustion Model for Biodiesel-Fueled Engine Simulations,” SAE Paper No. 2013-01-1099.
An, H. , Yang, W. , Li, J. , Maghbouli, A. , Chua, K. J. , and Chou, S. K. , 2014, “A Numerical Modeling on the Emission Characteristics of a Diesel Engine Fueled by Diesel and Biodiesel Blend Fuels,” Appl. Energy, 130, pp. 458–465. [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]
Opat, R. , Ra, Y. , Gonzalez, M. A. , Krieger, R. , Reitz, R. D. , Foster, D. E. , Durrett, R. P. , and Siewert, R. M. , 2007, “Investigation of Mixing and Temperature Effects on HC/CO Emissions for Highly Dilute Low Temperature Combustion in a Light Duty Diesel Engine,” SAE Technical Paper No. 2007-01-0193.
Smith, G. P. , Golden, D. M. , Frenklach, M. , Moriarty, N. W. , Eiteneer, B. , Goldenberg, M. , Bowman, C. T. , Hanson, R. K. , Song, S. , Gardiner, W. C. , Lissianski, V. V. , and Qin, Z. , 2016, “What's New in GRI-Mech 3.0,” GRI-Mech, accessed Nov. 22, 2017, http://combustion.berkeley.edu/gri-mech/version30/text30.html
Galletti, C. , Ferrarotti, M. , Parente, A. , and Tognotti, L. , 2015, “Reduced NO Formation Models for CFD Simulations of MILD Combustion,” Int. J. Hydrogen Energy, 40(14), pp. 4884–4897. [CrossRef]
Saggese, C. , Frassoldati, A. , Cuoci, A. , Faravelli, T. , and Ranzi, E. , 2013, “A Wide Range Kinetic Modeling Study of Pyrolysis and Oxidation of Benzene,” Combust. Flame, 160(7), pp. 1168–1190. [CrossRef]
Müller, M. , 2010, “General Air Fuel Ratio and EGR Definitions and Their Calculation From Emissions,” SAE Paper No. 2010-01-1285.
Fathi, M. , Khoshbakhti Saray, R. , and Checkel, M. D. , 2010, “Detailed Approach for Apparent Heat Release Analysis in HCCI Engines,” Fuel, 89(9), pp. 2323–2330. [CrossRef]
Narayanan, A. M. , and Jacobs, T. J. , 2015, “Observed Differences in Low-Temperature Heat Release and Their Possible Effect on Efficiency Between Petroleum Diesel and Soybean Biodiesel Operating in Low-Temperature Combustion Mode,” Energy Fuels, 29(7), pp. 4510–4521. [CrossRef]
Brakora, J. L. , 2012, “A Comprehensive Combustion Model for Biodiesel-Fueled Engine Simulations,” Ph.D. dissertation, University of Wisconsin-Madison, Madison, WI.
Collin, R. , Nygren, J. , Richter, M. , and Aldén, M. , 2003, “Simultaneous OH- and Formaldehyde-LIF Measurements in an HCCI Engine,” SAE Paper No. 2003-01-3218.
Kokjohn, S. L. , Splitter, D. A. , Hanson, R. M. , and Reitz, R. D. , 2010, “Modeling Charge Preparation and Combustion in Diesel Fuel, Ethanol, and Dual-Fuel PCCI Engines,” ILASS-Americas 22nd Annual Conference on Liquid Atomization and Spray Systems, Cincinnati, OH, May 16–19. http://ilass.org/2/ConferencePapers/ILASS2010-125.PDF


Grahic Jump Location
Fig. 1

Schematic diagram for coupling between KIVA code and CHEMKIN chemistry solver

Grahic Jump Location
Fig. 5

Comparison of the measured and predicted in-cylinder pressure and HRR histories for the cases 1–6

Grahic Jump Location
Fig. 6

Comparison of the measured and predicted exhaust NOx, CO, THC, and ISFC for the cases 1–6

Grahic Jump Location
Fig. 2

Evolution of the main thermophysical properties of methyl oleate, methyl palmitate, and tetradecane versus temperature [22,24]

Grahic Jump Location
Fig. 13

The NROPA for n-heptane oxidation at SOC for different biodiesel blends, 67% EGR

Grahic Jump Location
Fig. 15

Indicated power versus various biodiesel blends at different EGR percentages

Grahic Jump Location
Fig. 7

HRR and CHR histories for various biodiesel blends

Grahic Jump Location
Fig. 8

In-cylinder pressure and temperature histories for various biodiesel blends at different EGR percentages

Grahic Jump Location
Fig. 9

In-cylinder temperature contour plots for the case 1 at two different cut-planes at TDC: (a) B0, (b) B10, (c) B20, (d) B30, and (e) B40

Grahic Jump Location
Fig. 10

SOC and combustion duration for various biodiesel blends at different EGR percentages

Grahic Jump Location
Fig. 11

The chemical, thermodynamic, and dilution effects of various biodiesel blends on SOC

Grahic Jump Location
Fig. 12

Spray injection and cut plane of in-cylinder formaldehyde (CH2O), hydroxyl (OH), and temperature contour plots at various crank angle degrees for B10 and B40 cases, 67% EGR, SOI: −30 CAD ATDC

Grahic Jump Location
Fig. 3

Computational mesh and spray trajectory of the GM 1.9 L engine geometry at two different views

Grahic Jump Location
Fig. 4

Mesh independency based on the in-cylinder pressure history, SOI: −30 CAD ATDC, EGR: 67%

Grahic Jump Location
Fig. 14

Exhaust THC, CO, and NOx emissions as well as ISFC for various biodiesel blends at different EGR percentages



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