Research Papers: Internal Combustion Engines

A Numerical Investigation on NO2 Formation in a Natural Gas–Diesel Dual Fuel Engine

[+] Author and Article Information
Yu Li

Department of Mechanical and Aerospace
West Virginia University,
Morgantown, WV 26506
e-mail: liyu.academic@gmail.com

Hailin Li

Department of Mechanical and Aerospace
West Virginia University,
Morgantown, WV 26506
e-mail: hailin.li@mail.wvu.edu

Hongsheng Guo

National Research Council,
Ottawa, ON K1A OR6, Canada
e-mail: Hongsheng.guo@nrc-cnrc.gc.ca

Yongzhi Li

State Key Laboratory of Engines,
Tianjin University,
Tianjin 300072, China
e-mail: liyongzhi@enn.cn

Mingfa Yao

State Key Laboratory of Engines,
Tianjin University,
Tianjin 300072, China
e-mail: y_mingfa@tju.edu.cn

1Corresponding author.

Contributed by the IC Engine Division of ASME for publication in the JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER. Manuscript received December 16, 2017; final manuscript received February 19, 2018; published online May 29, 2018. Editor: David Wisler.

J. Eng. Gas Turbines Power 140(9), 092804 (May 29, 2018) (9 pages) Paper No: GTP-17-1661; doi: 10.1115/1.4039734 History: Received December 16, 2017; Revised February 19, 2018

This research numerically simulates the formation and destruction of nitrogen dioxide (NO2) in a natural gas (NG)–diesel dual fuel engine using commercial CFD software converge coupled with a reduced primary reference fuel (PRF) mechanism consisting of 45 species and 142 reactions. The model was validated by comparing the simulated cylinder pressure, heat release rate (HRR), and nitrogen oxide (NOx) emissions with experimental data. The validated model was used to simulate the formation and destruction of NO2 in a NG–diesel dual fuel engine. The formation of NO2 and its correlation with the local concentration of nitric oxide (NO), methane, and temperature were examined and discussed. It was revealed that NO2 was mainly formed in the interface region between the hot NO-containing combustion products and the relatively cool unburnt methane–air mixture. The NO2 formed at the early combustion stage is usually destructed to NO after the complete oxidation of methane and n-heptane, while NO2 formed during the postcombustion process survives through the expansion process and exits the engine. The increased NO2 emissions from NG–diesel dual fuel engines was formed during the post combustion process due to higher concentration of HO2 produced during the oxidation process of the unburned methane at low temperature. A detailed analysis of the chemical reactions occurring in the NO2 containing zone consisting of NO2, NO, O2, methane, etc., was conducted using a quasi-homogeneous constant volume (QHCV) model to identify the key reactions and species dominating NO2 formation and destruction. The HO2 produced during the postcombustion process of methane was identified as the primary species dominating the formation of NO2 during the post combustion expansion process. The simulation revealed the key reaction path for the formation of HO2 noted as CH4 → CH3 → CH2O → HCO → HO2, with conversion ratios of 98%, 74%, 90%, 98%, accordingly. The backward reaction of OH + NO2 = NO + HO2 consumed 34% of HO2 for the production of NO2.

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


Vermiglio, E. , Jenkins, T. , Kieliszewski, M. , Lapetz, J. , Povinger, B. , Willey, R. , Herber, J. , Sahutske, K. , Blue, M. , and Clark, R. , 1997, “ Ford's SULEV Dedicated Natural Gas Trucks,” SAE Paper No. 971662.
Cho, H. M. , and He, B. , 2007, “ Spark Ignition Natural Gas Engines—A Review,” Energy Convers. Manage., 48(2), pp. 608–618. [CrossRef]
Karim, G. A. , 2003, “ Combustion in Gas Fueled Compression Ignition Engines of the Dual Fuel Type,” ASME J. Eng. Gas Turbines Power, 125(3), pp. 827–836. [CrossRef]
Sahoo, B. B. , Sahoo, N. , and Saha, U. K. , 2009, “ Effect of Engine Parameters and Type of Gaseous Fuel on the Performance of Dual-Fuel Gas Diesel Engines—A Critical Review,” Renewable Sustainable Energy Rev., 13, pp. 1151–1184. [CrossRef]
Karim, G. A. , 1991, “ An Examination of Some Measures for Improving the Performance of Gas Fuelled Diesel Engines at Light Load,” SAE Paper No. 912366.
Karim, G. A. , Liu, Z. , and Jones, W. , 1993, “ Exhaust Emissions From Dual Fuel Engines at Light Load,” SAE Paper No. 932822.
Gatts, T. , Liu, S. , Liew, C. , Ralston, B. , Bell, C. , and Li, H. , 2012, “ An Experimental Investigation of Incomplete Combustion of Gaseous Fuels of a Heavy-Duty Diesel Engine Supplemented With Hydrogen and Natural Gas,” Int. J. Hydrogen Energy, 37(9), pp. 7848–7859. [CrossRef]
Egúsquiza, J. C. , Braga, S. L. , and Braga, C. V. M. , 2009, “ Performance and Gaseous Emissions Characteristics of a Natural Gas/Diesel Dual Fuel Turbocharged and Aftercooled Engine,” J. Braz. Soc. Mech. Sci. Eng., 31(2), pp. 142–150. [CrossRef]
Liu, S. , Li, H. , Gatts, T. , Liew, C. , Wayne, S. , Thompson, G. , Clark, N. , and Nuszkowski, J. , 2012, “ An Investigation of NO2 Emissions From a Heavy-Duty Diesel Engine Fumigated With H2 and Natural Gas,” Combust. Sci. Technol., 184(12), pp. 2008–2035. [CrossRef]
Shirk, M. G. , McGuire, T. P. , Neal, G. L. , and Haworth, D. , 2008, “ Investigation of a Hydrogen-Assisted Combustion System for a Light-Duty Diesel Vehicle,” Int. J. Hydrogen Energy, 33(23), pp. 7237–7244.
Bika, A. S. , Franklin, L. M. , and Kittelson, D. B. , 2008, “ Emissions Effects of Hydrogen as a Supplemental Fuel With Diesel and Biodiesel,” SAE Paper No. 2008-01-0648.
Liu, S. , Li, H. , Liew, C. , Gatts, T. , Wayne, S. , Shade, D. , and Clark, N. , 2011, “ An Experimental Investigation of NO2 Emissions Characteristics of a Heavy-Duty H2-Diesel Dual Fuel Engine,” Int. J. Hydrogen Energy, 36(18), pp. 12015–12024. [CrossRef]
Zhou, J. , Cheung, C. , and Leung, C. , 2013, “ Combustion and Emission of a Compression Ignition Engine Fueled With Diesel and Hydrogen-Methane Mixture,” Int. J. Mech. Aerosp. Ind. Mechatronics Eng., 7(8), pp. 578–583. https://waset.org/publications/16081/combustion-and-emission-of-a-compression-ignition-engine-fueled-with-diesel-and-hydrogen-methane-mixture
Liu, C. , Karim, G. , Xiao, F. , and Sohrabi, A. , 2007, “ An Experimental and Numerical Investigation of the Combustion Characteristics of a Dual Fuel Engine With a Swirl Chamber,” SAE Paper No. 2007-01-0615.
Nieman, D. E. , Dempsey, A. B. , and Reitz, R. D. , 2012, “ Heavy-Duty RCCI Operation Using Natural Gas and Diesel,” SAE Paper No. 2012-01-0379.
Maghbouli, A. , Saray, R. K. , Shafee, S. , and Ghafouri, J. , 2013, “ Numerical Study of Combustion and Emission Characteristics of Dual-Fuel Engines Using 3D-CFD Models Coupled With Chemical Kinetics,” Fuel, 106, pp. 98–105. [CrossRef]
Paykani, A. , Kakaee, A. H. , Rahnama, P. , and Reitz, R. D. , 2015, “ Effects of Diesel Injection Strategy on Natural Gas/Diesel Reactivity Controlled Compression Ignition Combustion,” Energy, 90(Pt. 1), pp. 814–826. [CrossRef]
Li, Y. , 2014, “ Experimental Research on Diesel Injection Control Strategies of a Dual-Fuel Engine Fuelled With Diesel and Natural Gas,” MS thesis, Tianjin University, Tianjin, China.
Richards, K. J. , Senecal, P. K. , and Pomraning, E. , 2013, “ CONVERGE (v2.3),” Convergent Science, Madison, WI.
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]
Smith, G. P. , Golden, D. M. , and Frenklach, M. , 2005, GRI-Mech 3.0, Berkeley, CA, accessed Apr. 4, 2018, http://combustion.berkeley.edu/gri-mech/version30/text30.html
Yang, B. , Yao, M. , Cheng, W. , Li, Y. , Zheng, J. , and Li, S. , 2014, “ Experimental and Numerical Study on Different Dual-Fuel Combustion Modes Fuelled With Gasoline and Diesel,” Appl. Energy, 113, pp. 722–733. [CrossRef]
O'Rourke, P. J. , and Amsden, A. A. , 2000, “ A Spray/Wall Interaction Submodel for the KIVA-3 Wall Film Model,” SAE Paper No. 2000-01-0271.
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]
Schmidt, D. P. , and Rutland, C. J. , 2000, “ A New Droplet Collision Algorithm,” J. Comput. Phys., 164(1), pp. 62–80. [CrossRef]
Han, Z. , and Reitz, R. D. , 1995, “ Turbulence Modeling of Internal Combustion Engines Using RNG κε Models,” Combust. Sci. Technol., 106(4-6), pp. 267–295.Vol. [CrossRef]
Jia, G. , Yao, M. , Liu, H. , Zhang, P. , Chen, B. , and Wei, L. , 2015, “ PAHs Formation Simulation in the Premixed Laminar Flames of TRF With Alcohol Addition Using a Semi-Detailed Combustion Mechanism,” Fuel, 155, pp. 44–54. [CrossRef]
Li, Y. , Guo, H. , and Li, H. , 2017, “ Evaluation of Kinetics Process in CFD Model and Its Application in Ignition Process Analysis of a Natural Gas-Diesel Dual Fuel Engine,” SAE Paper No. 2017-01-0554.
Guo, H. , Neill, W. S. , and Liko, B. , 2015, “ An Experimental Investigation on the Combustion and Emissions Performance of a Natural Gas–Diesel Dual Fuel Engine at Low and Medium Loads,” ASME Paper No. ICEF2015-1041.
Li, Y. , Li, H. , and Guo, H. , 2018, “ A Numerical Study of NO2 Formation and Consumption Mechanism in a Natural Gas-Diesel Dual Fuel Engine,” Combust. Flame, 190, pp. 337–348. [CrossRef]
Turns, S. R. , 2000, An Introduction to Combustion: Concepts and Applications, 2nd ed., McGraw-Hill, New York.
Lilik, G. K. , Zhang, H. , Herreros, J. M. , Haworth, D. C. , and Boehman, A. L. , 2010, “ Hydrogen Assisted Diesel Combustion,” Int. J. Hydrogen Energy, 35, pp. 4382–4398. [CrossRef]
Bika, A. , Franklin, L. , and Kittelson, D. , 2011, “ Cycle Efficiency and Gaseous Emissions From a Diesel Engine Assisted With Varying Proportions of Hydrogen and Carbon Monoxide (Synthesis Gas),” SAE Paper No. 2011-01-1194.


Grahic Jump Location
Fig. 1

Computational mesh

Grahic Jump Location
Fig. 2

Model validation against cylinder pressure and HRR at 4.9 bar BMEP and 1420 rpm, measured in Ref. [18]

Grahic Jump Location
Fig. 3

Variation of NO2/NOx ratio with NG substitution ratio. Experimental data was measured using a single cylinder dual fuel engine reported in literature [29].

Grahic Jump Location
Fig. 4

Variation of HRR, peak cylinder temperature, the total mass of n-heptane (NC7H16), methane (CH4), HO2, OH, NO, and NO2 with change in CA

Grahic Jump Location
Fig. 5

Temperature and distribution of NO, NO2, and methane in cylinder simulated at different CAs

Grahic Jump Location
Fig. 6

Bulk gas region containing 95% NO2, which was selected to develop the input data for QHCV model

Grahic Jump Location
Fig. 7

Variation of temperature profile and NO, NO2 molar fraction with changes in time simulated using QHCV model

Grahic Jump Location
Fig. 8

Reaction path analysis of the effect of methane to NO2 production

Grahic Jump Location
Fig. 9

Effect of initial temperature and ER on conversion factor

Grahic Jump Location
Fig. 10

The distribution of NO and NO2 in ER–T diagram over the combustion period. The number marked in Figure represents combustion stage.



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