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

Jingrui LI, Haifeng LIU, Xinlei LIU, Ying YE, Hu WANG, Xinyan WANG, Hua ZHAO, Mingfa YAO

PDF(5511 KB)
PDF(5511 KB)
Front. Energy ›› 2021, Vol. 15 ›› Issue (2) : 405-420. DOI: 10.1007/s11708-021-0718-3
RESEARCH ARTICLE

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

Author information +
History +

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.

Graphical abstract

Keywords

high-pressure direct-injection / natural gas / chemical kinetics / combustion modelling / marine engine

Cite this article

Download citation ▾
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. Front. Energy, 2021, 15(2): 405‒420 https://doi.org/10.1007/s11708-021-0718-3

References

[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[12]
Cho H M, He B Q. Spark ignition natural gas engines—a review. Energy Conversion and Management, 2007, 48(2): 608–618
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[21]
Davidson D F, Hanson R K. Interpreting shock tube ignition data. International Journal of Chemical Kinetics, 2004, 36(9): 510–523
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[34]
Grogan K P, Scott Goldsborough S, Ihme M. Ignition regimes in rapid compression machines. Combustion and Flame, 2015, 162(8): 3071–3080
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[55]
Dirrenberger P, Glaude P A, Bounaceur R, . Laminar burning velocity of gasolines with addition of ethanol. Fuel, 2014, 115: 162–169
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[58]
Hassan M. Measured and predicted properties of laminar premixed methane/air flames at various pressures. Combustion and Flame, 1998, 115(4): 539–550
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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
CrossRef Google scholar
[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

Acknowledgment

This work was supported by the National Natural Science Foundation of China (Grant Nos. 91941102 and 51922076).

RIGHTS & PERMISSIONS

2021 Higher Education Press
AI Summary AI Mindmap
PDF(5511 KB)

Accesses

Citations

Detail

Sections
Recommended

/