RESEARCH ARTICLE

Development of a simplified n-heptane/methane model for high-pressure direct-injection natural gas marine engines

  • Jingrui LI 1 ,
  • Haifeng LIU , 1 ,
  • Xinlei LIU 2 ,
  • Ying YE 1 ,
  • Hu WANG 1 ,
  • Xinyan WANG 3 ,
  • Hua ZHAO 3 ,
  • Mingfa YAO 1
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  • 1. State Key Laboratory of Engines, Tianjin University, Tianjin 300072, China
  • 2. Clean Combustion Research Center, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia
  • 3. Brunel University London, Kingston Lane, Uxbridge, Middlesex UB8 3PH, UK

Received date: 06 Jun 2020

Accepted date: 06 Aug 2020

Published date: 15 Jun 2021

Copyright

2021 Higher Education Press

Abstract

High-pressure direct-injection (HPDI) of natu- ral gas is one of the most promising solutions for future ship engines, in which the combustion process is mainly controlled by the chemical kinetics. However, the employment of detailed chemical models for the multi-dimensional combustion simulation is significantly expensive due to the large scale of the marine engine. In the present paper, a reduced n-heptane/methane model consisting of 35-step reactions was constructed using multiple reduction approaches. Then this model was further reduced to include only 27 reactions by utilizing the HyChem (Hybrid Chemistry) method. An overall good agreement with the experimentally measured ignition delay data of both n-heptane and methane for these two reduced models was achieved and reasonable predictions for the measured laminar flame speeds were obtained for the 35-step model. But the 27-step model cannot predict the laminar flame speed very well. In addition, these two reduced models were both able to reproduce the experimentally measured in-cylinder pressure and heat release rate profiles for a HPDI natural gas marine engine, the highest error of predicted combustion phase being 6.5%. However, the engine-out CO emission was over-predicted and the highest error of predicted NOx emission was less than 12.9%. The predicted distributions of temperature and equivalence ratio by the 35-step and 27-step models are similar to those of the 334-step model. However, the predicted distributions of OH and CH2O are significantly different from those of the 334-step model. In short, the reduced chemical kinetic models developed provide a high-efficient and dependable method to simulate the characteristics of combustion and emissions in HPDI natural gas marine engines.

Cite this article

Jingrui LI , Haifeng LIU , Xinlei LIU , Ying YE , Hu WANG , Xinyan WANG , Hua ZHAO , Mingfa YAO . Development of a simplified n-heptane/methane model for high-pressure direct-injection natural gas marine engines[J]. Frontiers in Energy, 2021 , 15(2) : 405 -420 . DOI: 10.1007/s11708-021-0718-3

Acknowledgment

This work was supported by the National Natural Science Foundation of China (Grant Nos. 91941102 and 51922076).
1
Luo M Y, Liu D. Kinetic analysis of ethanol and dimethyl ether flames with hydrogen addition. International Journal of Hydrogen Energy, 2017, 42(6): 3813–3823

DOI

2
Ying Y Y, Liu D. Detailed influences of chemical effects of hydrogen as fuel additive on methane flame. International Journal of Hydrogen Energy, 2015, 40(9): 3777–3788

DOI

3
Abdelaal M M, Hegab A H. Combustion and emission characteristics of a natural gas-fueled diesel engine with EGR. Energy Conversion and Management, 2012, 64: 301–312

DOI

4
Florea R, Neely G D, Abidin Z, . Efficiency and emissions characteristics of partially premixed dual-fuel combustion by co-direct injection of NG and diesel fuel (DI2). In: SAE 2016 World Congress and Exhibition, Detroit, USA, 2016, 121606

5
Wei H Q, Qi J Y, Zhou L, . Ignition characteristics of methane/n-heptane fuel blends under engine-like conditions. Energy & Fuels, 2018, 32(5): 6264–6277

DOI

6
He Y Z, Wang Y D, Grégoire C, . Ignition characteristics of dual-fuel methane-n-hexane-oxygen-diluent mixtures in a rapid compression machine and a shock tube. Fuel, 2019, 249: 379–391

DOI

7
McTaggart-Cowan G P, Huang J, Munshi S. Impacts and mitigation of varying fuel composition in a natural gas heavy-duty engine. SAE International Journal of Engines, 2017, 10(4): 1506–1517

DOI

8
McTaggart-Cowan G P, Jones H L, Rogak S N, . The Effects of high-pressure injection on a compression-ignition, direct injection of natural gas engine. Journal of Engineering for Gas Turbines and Power, 2007, 129(2): 579–588

DOI

9
Wagemakers A M L M, Leermakers C A J. Review on the effects of dual-fuel operation, using diesel and gaseous fuels, on emissions and performance. In: SAE 2012 World Congress and Exhibition, Detroit, USA, 2012, 92224

10
Zeng K, Huang Z H, Liu B, . Combustion characteristics of a direct-injection natural gas engine under various fuel injection timings. Applied Thermal Engineering, 2006, 26(8–9): 806–813

DOI

11
Liu H F, Li J R, Wang J T, . Effects of injection strategies on low-speed marine engines using the dual fuel of high-pressure direct-injection natural gas and diesel. Energy Science & Engineering, 2019, 7(5): 1994–2010

DOI

12
Cho H M, He B Q. Spark ignition natural gas engines—a review. Energy Conversion and Management, 2007, 48(2): 608–618

DOI

13
Roethlisberger R P, Favrat D. Investigation of the prechamber geometrical configuration of a natural gas spark ignition engine for cogeneration: part I. numerical simulation. International Journal of Thermal Sciences, 2003, 42(3): 223–237

DOI

14
Zheng J B, Wang J H, Zhao Z B, . Effect of equivalence ratio on combustion and emissions of a dual-fuel natural gas engine ignited with diesel. Applied Thermal Engineering, 2019, 146: 738–751

DOI

15
Huang Z H, Shiga S, Ueda T, . Effect of fuel injection timing relative to ignition timing on the natural-gas direct-injection combustion. Journal of Engineering for Gas Turbines and Power, 2003, 125(3): 783–790

DOI

16
Demosthenous E, Borghesi G, Mastorakos E, . Direct numerical simulations of premixed methane flame initiation by pilot n-heptane spray autoignition. Combustion and Flame, 2016, 163: 122–137

DOI

17
Demosthenous E, Mastorakos E, Stewart Cant R. Direct numerical simulations of dual-fuel non-premixed autoignition. Combustion Science and Technology, 2016, 188(4–5): 542–555

DOI

18
Curran H J, Gaffuri P, Pitz W J, . A comprehensive modeling study of n-heptane oxidation. Combustion and Flame, 1998, 114(1–2): 149–177

DOI

19
Zhang K W, Banyon C, Bugler J, . An updated experimental and kinetic modeling study of n-heptane oxidation. Combustion and Flame, 2016, 172: 116–135

DOI

20
Ciezki H K, Adomeit G. Shock-tube investigation of self-ignition of n-heptane-air mixtures under engine relevant conditions. Combustion and Flame, 1993, 93(4): 421–433

DOI

21
Davidson D F, Hanson R K. Interpreting shock tube ignition data. International Journal of Chemical Kinetics, 2004, 36(9): 510–523

DOI

22
Fieweger K, Blumenthal R, Adomeit G. Self-ignition of S.I. engine model fuels: a shock tube investigation at high pressure. Combustion and Flame, 1997, 109(4): 599–619

DOI

23
Gauthier B M, Davidson D F, Hanson R K. Shock tube determination of ignition delay times in full-blend and surrogate fuel mixtures. Combustion and Flame, 2004, 139(4): 300–311

DOI

24
Hu E J, Li X T, Meng X, . Laminar flame speeds and ignition delay times of methane–air mixtures at elevated temperatures and pressures. Fuel, 2015, 158: 1–10

DOI

25
Huang J, Hill P G, Bushe W K, Munshi S R. Shock-tube study of methane ignition under engine-relevant conditions: experiments and modeling. Combustion and Flame, 2004, 136(1–2): 25–42

DOI

26
Liang J J, Zhang Z H, Li G S, . Experimental and kinetic studies of ignition processes of the methane–n-heptane mixtures. Fuel, 2019, 235: 522–529

DOI

27
Wu Y T, Liu Y, Tang C L, . Ignition delay times measurement and kinetic modeling studies of 1-heptene, 2-heptene and n-heptane at low to intermediate temperatures by using a rapid compression machine. Combustion and Flame, 2018, 197: 30–40

DOI

28
Davis S G, Law C K, Wang H. Propene pyrolysis and oxidation kinetics in a flow reactor and laminar flames. Combustion and Flame, 1999, 119(4): 375–399

DOI

29
Held T J, Marchese A J, Dryer F L. A semi-empirical reaction mechanism for n-heptane oxidation and pyrolysis. Combustion Science and Technology, 1997, 123(1–6): 107–146

DOI

30
Zhang Z H, Zhao H, Cao L, . Kinetic effects of n-heptane addition on low and high temperature oxidation of methane in a jet-stirred reactor. Energy & Fuels, 2018, 32(11): 11970–11978

DOI

31
Griffiths J F, Halford-Maw P A, Rose D J. Fundamental features of hydrocarbon autoignition in a rapid compression machine. Combustion and Flame, 1993, 95(3): 291–306

DOI

32
Minetti R, Carlier M, Ribaucour M, . A rapid compression machine investigation of oxidation and auto-ignition of n-heptane: measurements and modeling. Combustion and Flame, 1995, 102(3): 298–309

DOI

33
Tanaka S, Ayala F, Keck J C. A reduced chemical kinetic model for HCCI combustion of primary reference fuels in a rapid compression machine. Combustion and Flame, 2003, 133(4): 467–481

DOI

34
Grogan K P, Scott Goldsborough S, Ihme M. Ignition regimes in rapid compression machines. Combustion and Flame, 2015, 162(8): 3071–3080

DOI

35
Aroonsrisopon T, Sohm V, Werner P, . An investigation into the effect of fuel composition on HCCI combustion characteristics. In: Powertrain and Fluid Systems Conference and Exhibition, San Diego, USA, 2002, 90919

36
Aroonsrisopon T, Werner P, Waldman J O, . Expanding the HCCI operation with the charge stratification. In: 2004 SAE World Congress, Detroit, USA, 2004, 90264

37
Andrae J, Johansson D, Björnbom P, . Co-oxidation in the auto-ignition of primary reference fuels and n-heptane/toluene blends. Combustion and Flame, 2005, 140(4): 267–286

DOI

38
Seshadri K. Numerical and asymptotic studies of the structure of stoichiometric and lean premixed heptane flames. Combustion and Flame, 1997, 108(4): 518–536

DOI

39
Peters N, Paczko G, Seiser R, . Temperature cross-over and non-thermal runaway at two-stage ignition of n-heptane. Combustion and Flame, 2002, 128(1–2): 38–59

DOI

40
Li H L, Miller D L, Cernansky N P. Development of a reduced chemical kinetic model for prediction of preignition reactivity and autoignition of primary reference fuels. In: International Congress and Exposition, Detroit, USA, 1996, 90323

41
Su W, Huang H. Development and calibration of a reduced chemical kinetic model of n-heptane for HCCI engine combustion. Fuel, 2005, 84(9): 1029–1040

DOI

42
Patel A, Kong S C, Reitz R D. Development and validation of a reduced reaction mechanism for HCCI Engine Simulations. In: 2004 SAE World Congress, Detroit, USA, 2004, 90264

43
Maroteaux F, Noel L. Development of a reduced n-heptane oxidation mechanism for HCCI combustion modeling. Combustion and Flame, 2006, 146(1–2): 246–267

DOI

44
Lapointe S, Zhang K, McNenly M J. Reduced chemical model for low and high-temperature oxidation of fuel blends relevant to internal combustion engines. Proceedings of the Combustion Institute, 2019, 37(1): 789–796

DOI

45
Gustavsson J, Golovitchev V I. Spray combustion simulation based on detailed chemistry approach for diesel fuel surrogate model. In: 2003 JSAE/SAE International Spring Fuels and Lubricants Meeting, Yokohama, Japan, 2003, 90284

46
Zheng J C, Yang W Y, Miller D L, . A skeletal chemical kinetic model for the HCCI combustion process. In: SAE 2002 World Congress, Detroit, USA, 2002, 90920

47
Ra Y, Reitz R D. A reduced chemical kinetic model for IC engine combustion simulations with primary reference fuels. Combustion and Flame, 2008, 155(4): 713–738

DOI

48
Heufer K A, Olivier H. Determination of ignition delay times of different hydrocarbons in a new high pressure shock tube. Shock Waves, 2010, 20(4): 307–316

DOI

49
Wang H, Xu R, Wang K, . A physics-based approach to modeling real-fuel combustion chemistry- I. evidence from experiments, and thermodynamic, chemical kinetic and statistical considerations. Combustion and Flame, 2018, 193: 502–519

DOI

50
Fieweger K, Blumenthal R, Adomeit G. Shock-tube investigations on the self-ignition of hydrocarbon-air mixtures at high pressures. Symposium (International) on Combustion, 1994, 25(1): 1579–1585

51
Kumar K, Freeh J E, Sung C J, . Laminar flame speeds of preheated iso-octane/O2/N2 and n-heptane/O2/N2 mixtures. Journal of Propulsion and Power, 2007, 23(2): 428–436

DOI

52
Smallbone A J, Liu W, Law C K, . Experimental and modeling study of laminar flame speed and non-premixed counterflow ignition of n-heptane. Proceedings of the Combustion Institute, 2009, 32(1): 1245–1252

DOI

53
Ji C S, Dames E, Wang Y L, . Propagation and extinction of premixed C5–C12 n-alkane flames. Combustion and Flame, 2010, 157(2): 277–287

DOI

54
Kelley A P, Smallbone A J, Zhu D L, . Laminar flame speeds of C5 to C8 n-alkanes at elevated pressures: experimental determination, fuel similarity, and stretch sensitivity. Proceedings of the Combustion Institute, 2011, 33(1): 963–970

DOI

55
Dirrenberger P, Glaude P A, Bounaceur R, . Laminar burning velocity of gasolines with addition of ethanol. Fuel, 2014, 115: 162–169

DOI

56
Li G S, Liang J J, Zhang Z H, . Experimental investigation on laminar burning velocities and markstein lengths of premixed methane-n-heptane-air mixtures. Energy & Fuels, 2015, 29(7): 4549–4556

DOI

57
Bradley D. Burning velocities, markstein lengths, and flame quenching for spherical methane-air flames: a computational study. Combustion and Flame, 1996, 104(1–2): 176–198

DOI

58
Hassan M. Measured and predicted properties of laminar premixed methane/air flames at various pressures. Combustion and Flame, 1998, 115(4): 539–550

DOI

59
Vagelopoulos C M, Egolfopoulos F N. Direct experimental determination of laminar flame speeds. Symposium (International) on Combustion, 1998, 27(1): 513–519

60
Dyakov I V, Konnov A A, Ruyck J D, . Measurement of adiabatic burning velocity in methane-oxygen-nitrogen mixtures. Combustion Science and Technology, 2001, 172(1): 81–96

DOI

61
Tahtouh T, Halter F, Mounaïm-Rousselle C. Measurement of laminar burning speeds and Markstein lengths using a novel methodology. Combustion and Flame, 2009, 156(9): 1735–1743

DOI

62
Dirrenberger P, Le Gall H, Bounaceur R, . Measurements of laminar flame velocity for components of natural gas. Energy & Fuels, 2011, 25(9): 3875–3884

DOI

63
Richards K J, Senecal P K, Pomraning E.CONVERGE Manual (Version 2.3), 2016

64
Juliussen L R, Kryger M J, Andreasen A. MAN B&W ME‐GI engines recent research & results. In: Proceedings of the International Symposium on Marine Engineering (ISME), 2011

65
Lavoie G A, Heywood J B, Keck J C. Experimental and theoretical study of nitric oxide formation in internal combustion engines. Combustion Science and Technology, 1970, 1(4): 313–326

DOI

66
Hiroyasu H, Kadota T, Arai M. Development and use of a spray combustion modeling to predict diesel engine efficiency and pollutant emissions (part 1 combustion modeling). Bulletin of the JSME, 1983, 26(214): 569–575

DOI

67
Li J R, Wang J T, Liu T, . An investigation of the influence of gas injection rate shape on high-pressure direct-injection natural gas marine engines. Energies, 2019, 12(13): 2571

DOI

68
Larson C R. Injection study of a diesel engine fueled with pilot-ignited, directly-injected natural gas. Dissertation for the Doctoral Degree. Vancouver: University of British Columbia, 2003

69
Jud M, Fink G, Sattelmayer T. Predicting ignition and combustion of a pilot ignited natural gas jet using numerical simulation based on detailed chemistry. In: ASME 2017 Internal Combustion Engine Division Fall Technical Conference (ICEF 2017), Seattle, USA, 132256

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