A simplified mechanism of diesel/natural gas blend was developed for a dual fuel engine built from a previously reported detailed mechanism of a n-dodecane and natural gas. In the model, n-dodecane was selected as the representative substance of diesel and the mixture of methane, ethane and propane was selected as the representative substance of natural gas. The simplified mechanism was obtained by using the direct relation graph, the directed relation graph with error propagation, and the sensitivity analysis simplification method. On this basis, a simplified n-dodecane-natural gas mechanism with 141 species and 739 reactions was established. In addition, the experimental data and detailed mechanism are used to compare with the n-dodecane-natural gas dual fuel simplified mechanism established in this paper, and have been widely verified in 0-D and 1-D combustion systems for the first time, including ignition delay time, laminar flame velocity, premixed flame species, HCCI combustion, which verify the rationality of the new simplified mechanism. Then the mechanism is coupled to CFD software to simulate the spray combustion of constant volume spray under engine like conditions. The results show that the mechanism has high reliability and can be coupled with CFD.
XuSZhongSPangKMYuSJangiMBaiXS. Effects of ambient methanol on pollutants formation in dual-fuel spray combustion at varying ambient temperatures: a large-eddy simulation. Appl Energy2020; 279: 115774.
2.
DadsetanMChitsazIAmaniE. A study of swirl ratio effects on the NOx formation and mixture stratification in an RCCI engine. Energy2019; 182: 1100–1114.
3.
ReymondM. European key issues concerning natural gas: dependence and vulnerability. Energy Policy2007; 35(8): 4169–4176.
4.
FuJDengBLiuJ, et al. Study of SI engine fueled with methanol vapor and dissociation gas based on exhaust heat dissociating methanol. Energy Convers Manag2014; 79: 213–223.
5.
YilmazNSanchezTM. Analysis of operating a diesel engine on biodiesel-ethanol and biodiesel-methanol blends. Energy2012; 46(1): 126–129.
6.
JangHJeongBZhouPHaSNamD. Demystifying the lifecycle environmental benefits and harms of LNG as marine fuel. Appl Energy2021; 292: 116869.
7.
NalleySLaRoseA.Annual energy outlook 2021 with projection to 2050. U.S. Energy Information Administration, 2021. U.S. Energy Information Administration, 2021. https://www.eia.gov/outlooks/aeo/. Accessed March 3, 2022.
8.
MilloFAccursoFPianoACaputoGCafariAHyvönenJ. Experimental and numerical investigation of the ignition process in a large bore dual fuel engine. Fuel2021; 290: 120073.
9.
Salavati-ZadehAJavaheriAGhavamiSVEsfahanianVTehraniMMAkbariH. A detailed kinetic investigation on the effects of hydrogen enrichment on the performance of Gas-Fueled SI engine. Int J Green Energy2016; 13(10): 1042–1049.
10.
ZhuZLiYShiC. Effect of natural gas energy fractions on combustion performance and emission characteristics in an optical CI engine fueled with natural gas/diesel dual-fuel. Fuel2022; 307: 121842.
11.
WangHJiaoQYaoMYangBQiuLReitzRD. Development of an n-heptane/toluene/polyaromatic hydrocarbon mechanism and its application for combustion and soot prediction. Int J Engine Res2013; 14: 434–451.
12.
TongYBei-JingZ. Small-scale chemical kinetic mechanism models for pyrolysis of n-decane. Acta Phys-Chim Sin2013; 29: 1385–1395.
13.
WangHRaYJiaMReitzRD. Development of a reduced n-dodecane-PAH mechanism and its application for n-dodecane soot predictions. Fuel2014; 136: 25–36.
14.
ZengMYuanWLiW, et al. Comprehensive experimental and kinetic modeling study of n-tetradecane combustion. Energy Fuels2017; 31: 12712–12720.
15.
WakaleABBanerjeeSBanerjeeR. Estimation of NOx and soot emission from a constant volume n-butanol/n-dodecane blended spray using unsteady flamelet model based on n-dodecane/n-butanol/NOx/PAH chemistry. J Energ Inst2020; 93: 1868–1882.
16.
YaoTPeiYZhongB-JSomSLuTLuoKH. A compact skeletal mechanism for n-dodecane with optimized semi-global low-temperature chemistry for diesel engine simulations. Fuel2017; 191: 339–349.
17.
Mzé-AhmedAHadj-AliKDagautPDaymaG. Experimental and modeling study of the oxidation kinetics of n-undecane and n-dodecane in a jet-stirred reactor. Energy Fuels2012; 26: 4253–4268.
18.
WuZRutlandCJHanZ. Numerical evaluation of the effect of methane number on natural gas and diesel dual-fuel combustion. Int J Engine Res2019; 20: 405–423.
19.
RahimiAFatehifarESarayRK. Development of an optimized chemical kinetic mechanism for homogeneous charge compression ignition combustion of a fuel blend of n-heptane and natural gas using a genetic algorithm. Proc IMechE Part D: J Automobile Engineering2010; 224: 1141–1159.
20.
WangXLiuHZhengZYaoM. Development of a reduced n -butanol/biodiesel mechanism for a dual fuel engine. Fuel2015; 157: 87–96.
21.
HockettAHampsonGMarcheseAJ. Development and validation of a reduced chemical kinetic mechanism for computational fluid dynamics simulations of natural gas/diesel dual-fuel engines. Energy Fuels2016; 30: 2414–2427.
22.
ZhaoWYangWFanLZhouDMaX. Development of a skeletal mechanism for heavy-duty engines fuelled by diesel and natural gas. Appl Therm Eng2017; 123: 1060–1071.
23.
HuangHLvDZhuJ, et al. Development of a new reduced diesel/natural gas mechanism for dual-fuel engine combustion and emission prediction. Fuel2019; 236: 30–42.
24.
HuangHChenYZhuJ, et al. Construction of a reduced PODE3/nature gas dual-fuel mechanism under enginelike conditions. Energy Fuels2019; 33: 3504–3517.
25.
ZhangWChangSWuWDongLChenZChenG. A diesel/natural gas dual fuel mechanism constructed to reveal combustion and emission characteristics. Energy2019; 179: 59–75.
26.
LiuZYangLSongE, et al. Development of a reduced multi-component combustion mechanism for a diesel/natural gas dual fuel engine by cross-reaction analysis. Fuel2021; 293: 120388.
27.
VasuSSDavidsonDFHongZVasudevanVHansonRK. n-dodecane oxidation at high-pressures: measurements of ignition delay times and OH concentration time-histories. Proc Combust Inst2009; 32: 173–180.
28.
ANSYS Chemkin 17.0. ANSYS Reaction Design, San Diego, 2016.
29.
RenSWangZLiBLiuHWangJ. Development of a reduced polyoxymethylene dimethyl ethers (poden) mechanism for engine applications. Fuel2019; 238: 208–224.
30.
LuoZSomSSarathySM, et al. Development and validation of an n-dodecane skeletal mechanism for spray combustion applications. Combust Theory Model2014; 18: 187–203.
31.
NarayanaswamyKPepiotPPitschH. A chemical mechanism for low to high temperature oxidation of n-dodecane as a component of transportation fuel surrogates. Combust Flame2014; 161: 866–884.
32.
PeiYMehlMLiuWLuTPitzWJSomS. A multi-component blend as a diesel fuel surrogate for compression ignition engine applications. In: Proceedings of the ASME internal combustion engine division, fall technical conference, 2014, vol. 2, p.V002T06A012. New York, NY: American Society of Mechanical Engineers.
33.
ZhouSGaoRFengYZhuY. Evaluation of Miller cycle and fuel injection direction strategies for low NOx emission in marine two-stroke engine. Int J Hydrogen Energy2017; 42: 20351–20360.
34.
SarathySMWestbrookCKMehlM, et al. Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20. Combust Flame2011; 158: 2338–2357.
35.
MehlMPitzWWestbrookCSarathyS. 2011. Chemical kinetic modeling of substituted aromatics. In: Fifth European combustion meeting (ECM2011), Wales, UK, June 27–July 1. Cardiff: Cardiff University.
36.
HealyDKalitanDMAulCJPetersenELBourqueGCurranHJ. Oxidation of C1−C5 alkane quinternary natural gas mixtures at high pressures. Energy Fuels2010; 24: 1521–1528.
37.
PfahlUFiewegerKAdomeitG. Self-ignition of diesel-relevant hydrocarbon-air mixtures under engine conditions. Combust Inst1996; 26: 781–789.
38.
ParkOVelooPSLiuNEgolfopoulosFN. Combustion characteristics of alternative gaseous fuels. Proc Combust Inst2011; 33: 887–894.
39.
GuXJHaqMZLawesMWoolleyR. Laminar burning velocity and Markstein lengths of methane–air mixtures. Combust Flame2000; 121: 41–58.
40.
RozenchanGZhuDLLawCKTseSD. Outward propagation, burning velocities, and chemical effects of methane flames up to 60 ATM. Proc Combust Inst2002; 29: 1461–1470.
41.
WangFZhengZHeZ. Reduced polycyclic aromatic hydrocarbon formation chemical kinetic model of diesel surrogate fuel for homogeneous charge compression ignition combustion. Energy Fuels2012; 26: 1612–1620.
42.
Engine combustion network, Combustion research facility, Sandia National Laboratories, Livermore, CA. https://ecn.sandia.gov. (accessed 27 May 2018)
43.
HanZReitzRD. Turbulence modeling of internal combustion engines using RNG κ-ε models. Combust Sci Technol1995; 106: 267–295.
44.
ReitzRDBealeJC. Modeling spray atomization with the Kelvin-Helmholtz/Rayleigh-Taylor hybrid model. Atomization Sprays1999; 9: 623–650.
45.
SchmidtDPRutlandCJ. A new droplet collision algorithm. J Comput Phys2000; 164: 62–80.
46.
AmsdenAAO’RourkePButlerT. KIVA-II: a computer program for chemically reactive flows with sprays. Los Alamos, NM: Los Alamos National Laboratory, 1989.
47.
SenecalPKPomraningERichardsKJ, et al. Multi-dimensional modeling of direct-injection diesel spray liquid length and flame lift-off length using CFD and parallel detailed chemistry. SAE technical paper 2003-01-1043, 2003.
48.
SahetchianKChampoussinJCBrunM, et al. Experimental study and modeling of dodecane ignition in a diesel engine. Combust Flame1995; 103(3): 207–220.
Supplementary Material
Please find the following supplemental material available below.
For Open Access articles published under a Creative Commons License, all supplemental material carries the same license as the article it is associated with.
For non-Open Access articles published, all supplemental material carries a non-exclusive license, and permission requests for re-use of supplemental material or any part of supplemental material shall be sent directly to the copyright owner as specified in the copyright notice associated with the article.
