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
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.
. [J]. Frontiers in Energy, 2021, 15(2): 405-420.
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.
M Y Luo, D Liu. Kinetic analysis of ethanol and dimethyl ether flames with hydrogen addition. International Journal of Hydrogen Energy, 2017, 42(6): 3813–3823 https://doi.org/10.1016/j.ijhydene.2016.08.208
2
Y Y Ying, D Liu. Detailed influences of chemical effects of hydrogen as fuel additive on methane flame. International Journal of Hydrogen Energy, 2015, 40(9): 3777–3788 https://doi.org/10.1016/j.ijhydene.2015.01.076
3
M M Abdelaal, A H Hegab. Combustion and emission characteristics of a natural gas-fueled diesel engine with EGR. Energy Conversion and Management, 2012, 64: 301–312 https://doi.org/10.1016/j.enconman.2012.05.021
4
R Florea, G D Neely, Z Abidin, et al.. 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
H Q Wei, J Y Qi, L Zhou, et al.. Ignition characteristics of methane/n-heptane fuel blends under engine-like conditions. Energy & Fuels, 2018, 32(5): 6264–6277 https://doi.org/10.1021/acs.energyfuels.7b04128
6
Y Z He, Y D Wang, C Grégoire, et al.. 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 https://doi.org/10.1016/j.fuel.2019.03.105
7
G P McTaggart-Cowan, J Huang, S Munshi. Impacts and mitigation of varying fuel composition in a natural gas heavy-duty engine. SAE International Journal of Engines, 2017, 10(4): 1506–1517 https://doi.org/10.4271/2017-01-0777
8
G P McTaggart-Cowan, H L Jones, S N Rogak, et al.. 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 https://doi.org/10.1115/1.2432894
9
A M L M Wagemakers, C A J Leermakers. 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
K Zeng, Z H Huang, B Liu, et al.. Combustion characteristics of a direct-injection natural gas engine under various fuel injection timings. Applied Thermal Engineering, 2006, 26(8–9): 806–813 https://doi.org/10.1016/j.applthermaleng.2005.10.011
11
H F Liu, J R Li, J T Wang, et al.. 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 https://doi.org/10.1002/ese3.406
R P Roethlisberger, D Favrat. 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 https://doi.org/10.1016/S1290-0729(02)00023-6
14
J B Zheng, J H Wang, Z B Zhao, et al.. 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 https://doi.org/10.1016/j.applthermaleng.2018.10.045
15
Z H Huang, S Shiga, T Ueda, et al.. 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 https://doi.org/10.1115/1.1563243
16
E Demosthenous, G Borghesi, E Mastorakos, et al.. Direct numerical simulations of premixed methane flame initiation by pilot n-heptane spray autoignition. Combustion and Flame, 2016, 163: 122–137 https://doi.org/10.1016/j.combustflame.2015.09.013
17
E Demosthenous, E Mastorakos, R Stewart Cant. Direct numerical simulations of dual-fuel non-premixed autoignition. Combustion Science and Technology, 2016, 188(4–5): 542–555 https://doi.org/10.1080/00102202.2016.1139391
18
H J Curran, P Gaffuri, W J Pitz, et al.. A comprehensive modeling study of n-heptane oxidation. Combustion and Flame, 1998, 114(1–2): 149–177 https://doi.org/10.1016/S0010-2180(97)00282-4
19
K W Zhang, C Banyon, J Bugler, et al.. An updated experimental and kinetic modeling study of n-heptane oxidation. Combustion and Flame, 2016, 172: 116–135 https://doi.org/10.1016/j.combustflame.2016.06.028
20
H K Ciezki, G Adomeit. Shock-tube investigation of self-ignition of n-heptane-air mixtures under engine relevant conditions. Combustion and Flame, 1993, 93(4): 421–433 https://doi.org/10.1016/0010-2180(93)90142-P
21
D F Davidson, R K Hanson. Interpreting shock tube ignition data. International Journal of Chemical Kinetics, 2004, 36(9): 510–523 https://doi.org/10.1002/kin.20024
22
K Fieweger, R Blumenthal, G Adomeit. Self-ignition of S.I. engine model fuels: a shock tube investigation at high pressure. Combustion and Flame, 1997, 109(4): 599–619 https://doi.org/10.1016/S0010-2180(97)00049-7
23
B M Gauthier, D F Davidson, R K Hanson. Shock tube determination of ignition delay times in full-blend and surrogate fuel mixtures. Combustion and Flame, 2004, 139(4): 300–311 https://doi.org/10.1016/j.combustflame.2004.08.015
24
E J Hu, X T Li, X Meng, et al.. Laminar flame speeds and ignition delay times of methane–air mixtures at elevated temperatures and pressures. Fuel, 2015, 158: 1–10 https://doi.org/10.1016/j.fuel.2015.05.010
25
J Huang, P G Hill, W K Bushe, S R Munshi. Shock-tube study of methane ignition under engine-relevant conditions: experiments and modeling. Combustion and Flame, 2004, 136(1–2): 25–42 https://doi.org/10.1016/j.combustflame.2003.09.002
26
J J Liang, Z H Zhang, G S Li, et al.. Experimental and kinetic studies of ignition processes of the methane–n-heptane mixtures. Fuel, 2019, 235: 522–529 https://doi.org/10.1016/j.fuel.2018.08.041
27
Y T Wu, Y Liu, C L Tang, et al.. 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 https://doi.org/10.1016/j.combustflame.2018.07.007
28
S G Davis, C K Law, H Wang. Propene pyrolysis and oxidation kinetics in a flow reactor and laminar flames. Combustion and Flame, 1999, 119(4): 375–399 https://doi.org/10.1016/S0010-2180(99)00070-X
29
T J Held, A J Marchese, F L Dryer. A semi-empirical reaction mechanism for n-heptane oxidation and pyrolysis. Combustion Science and Technology, 1997, 123(1–6): 107–146 https://doi.org/10.1080/00102209708935624
30
Z H Zhang, H Zhao, L Cao, et al.. 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 https://doi.org/10.1021/acs.energyfuels.8b03124
31
J F Griffiths, P A Halford-Maw, D J Rose. Fundamental features of hydrocarbon autoignition in a rapid compression machine. Combustion and Flame, 1993, 95(3): 291–306 https://doi.org/10.1016/0010-2180(93)90133-N
32
R Minetti, M Carlier, M Ribaucour, et al.. A rapid compression machine investigation of oxidation and auto-ignition of n-heptane: measurements and modeling. Combustion and Flame, 1995, 102(3): 298–309 https://doi.org/10.1016/0010-2180(94)00236-L
33
S Tanaka, F Ayala, J C Keck. 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 https://doi.org/10.1016/S0010-2180(03)00057-9
T Aroonsrisopon, V Sohm, P Werner, et al.. 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
T Aroonsrisopon, P Werner, J O Waldman, et al.. Expanding the HCCI operation with the charge stratification. In: 2004 SAE World Congress, Detroit, USA, 2004, 90264
37
J Andrae, D Johansson, P Björnbom, et al.. Co-oxidation in the auto-ignition of primary reference fuels and n-heptane/toluene blends. Combustion and Flame, 2005, 140(4): 267–286 https://doi.org/10.1016/j.combustflame.2004.11.009
38
K Seshadri. Numerical and asymptotic studies of the structure of stoichiometric and lean premixed heptane flames. Combustion and Flame, 1997, 108(4): 518–536 https://doi.org/10.1016/S0010-2180(96)00118-6
39
N Peters, G Paczko, R Seiser, et al.. Temperature cross-over and non-thermal runaway at two-stage ignition of n-heptane. Combustion and Flame, 2002, 128(1–2): 38–59 https://doi.org/10.1016/S0010-2180(01)00331-5
40
H L Li, D L Miller, N P Cernansky. 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
W Su, H Huang. Development and calibration of a reduced chemical kinetic model of n-heptane for HCCI engine combustion. Fuel, 2005, 84(9): 1029–1040 https://doi.org/10.1016/j.fuel.2005.01.015
42
A Patel, S C Kong, R D Reitz. Development and validation of a reduced reaction mechanism for HCCI Engine Simulations. In: 2004 SAE World Congress, Detroit, USA, 2004, 90264
43
F Maroteaux, L Noel. Development of a reduced n-heptane oxidation mechanism for HCCI combustion modeling. Combustion and Flame, 2006, 146(1–2): 246–267 https://doi.org/10.1016/j.combustflame.2006.03.006
44
S Lapointe, K Zhang, M J McNenly. 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 https://doi.org/10.1016/j.proci.2018.06.139
45
J Gustavsson, V I Golovitchev. 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
J C Zheng, W Y Yang, D L Miller, et al.. A skeletal chemical kinetic model for the HCCI combustion process. In: SAE 2002 World Congress, Detroit, USA, 2002, 90920
47
Y Ra, R D Reitz. A reduced chemical kinetic model for IC engine combustion simulations with primary reference fuels. Combustion and Flame, 2008, 155(4): 713–738 https://doi.org/10.1016/j.combustflame.2008.05.002
48
K A Heufer, H Olivier. Determination of ignition delay times of different hydrocarbons in a new high pressure shock tube. Shock Waves, 2010, 20(4): 307–316 https://doi.org/10.1007/s00193-010-0262-2
49
H Wang, R Xu, K Wang, et al.. 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 https://doi.org/10.1016/j.combustflame.2018.03.019
50
K Fieweger, R Blumenthal, G Adomeit. Shock-tube investigations on the self-ignition of hydrocarbon-air mixtures at high pressures. Symposium (International) on Combustion, 1994, 25(1): 1579–1585
51
K Kumar, J E Freeh, C J Sung, et al.. 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 https://doi.org/10.2514/1.24391
52
A J Smallbone, W Liu, C K Law, et al.. 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 https://doi.org/10.1016/j.proci.2008.06.213
A P Kelley, A J Smallbone, D L Zhu, et al.. 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 https://doi.org/10.1016/j.proci.2010.06.074
55
P Dirrenberger, P A Glaude, R Bounaceur, et al.. Laminar burning velocity of gasolines with addition of ethanol. Fuel, 2014, 115: 162–169 https://doi.org/10.1016/j.fuel.2013.07.015
56
G S Li, J J Liang, Z H Zhang, et al.. Experimental investigation on laminar burning velocities and markstein lengths of premixed methane-n-heptane-air mixtures. Energy & Fuels, 2015, 29(7): 4549–4556 https://doi.org/10.1021/acs.energyfuels.5b00355
57
D Bradley. Burning velocities, markstein lengths, and flame quenching for spherical methane-air flames: a computational study. Combustion and Flame, 1996, 104(1–2): 176–198 https://doi.org/10.1016/0010-2180(95)00115-8
58
M Hassan. Measured and predicted properties of laminar premixed methane/air flames at various pressures. Combustion and Flame, 1998, 115(4): 539–550 https://doi.org/10.1016/S0010-2180(98)00025-X
59
C M Vagelopoulos, F N Egolfopoulos. Direct experimental determination of laminar flame speeds. Symposium (International) on Combustion, 1998, 27(1): 513–519
60
I V Dyakov, A A Konnov, J D Ruyck, et al.. Measurement of adiabatic burning velocity in methane-oxygen-nitrogen mixtures. Combustion Science and Technology, 2001, 172(1): 81–96 https://doi.org/10.1080/00102200108935839
61
T Tahtouh, F Halter, C Mounaïm-Rousselle. Measurement of laminar burning speeds and Markstein lengths using a novel methodology. Combustion and Flame, 2009, 156(9): 1735–1743 https://doi.org/10.1016/j.combustflame.2009.03.013
62
P Dirrenberger, H Le Gall, R Bounaceur, et al.. Measurements of laminar flame velocity for components of natural gas. Energy & Fuels, 2011, 25(9): 3875–3884 https://doi.org/10.1021/ef200707h
63
K J Richards, P K Senecal, E. PomraningCONVERGE Manual (Version 2.3), 2016
64
L R Juliussen, M J Kryger, A Andreasen. MAN B&W ME‐GI engines recent research & results. In: Proceedings of the International Symposium on Marine Engineering (ISME), 2011
65
G A Lavoie, J B Heywood, J C Keck. Experimental and theoretical study of nitric oxide formation in internal combustion engines. Combustion Science and Technology, 1970, 1(4): 313–326 https://doi.org/10.1080/00102206908952211
66
H Hiroyasu, T Kadota, M Arai. 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 https://doi.org/10.1299/jsme1958.26.569
67
J R Li, J T Wang, T Liu, et al.. An investigation of the influence of gas injection rate shape on high-pressure direct-injection natural gas marine engines. Energies, 2019, 12(13): 2571 https://doi.org/10.3390/en12132571
68
C R Larson. 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
M Jud, G Fink, T Sattelmayer. 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
