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Article history: Experimental investigations on the combustion and emission characteristics of diesel and three potential
Received 8 August 2016 diesel surrogate fuels have been performed, including the 85% (vol.) n-heptane blended with 15% toluene
Received in revised form 14 November 2016 (T15), 81% n-heptane blended with 14% toluene and 5% c-hexane (T15 + CH5), and 80% (vol.) n-heptane
Accepted 11 December 2016
blended with 20% toluene (T20). The experimental results showed that due to the lower reactivity of the
three diesel surrogate fuels, the combustion phases were more retarded and the indicated thermal effi-
ciencies were lower compared to diesel. For the diesel surrogate fuels with higher volatility, the soot
Keywords:
emissions were lower than those of diesel due to more premixed combustion. Moreover, a reduced n-
Diesel surrogate
Engine combustion
dodecane-toluene reference fuel-c-hexane-polycyclic aromatic hydrocarbon (PAH) mechanism com-
Soot posed of 167 species and 671 reactions was formulated and was extensively validated against the exper-
TRF imental results. To clarify the experimental results, the reduced mechanism was then used for the three-
Chemical kinetics dimensional (3-D) modelling investigations. The modelling results showed that the reduced mechanism
can reasonably capture the combustion characteristics of T15 + CH5 in the direct injection compression
ignition combustion. The NOx and soot emissions were both reasonably predicted. From the modelling
investigations, it was inferred that the physical effects on the soot emission were larger than the chemical
effects of the different fuel carbon-chain structures. According to the 0-D modelling investigations, the
soot tendency of the four pure diesel surrogate constituents can be sequenced as toluene > c-
hexane > n-dodecane > n-heptane. Given that toluene is the dominant factor affecting the soot formation
than the other three components, the soot tendency of the four diesel surrogate fuels can be sequenced as
T20 > T15 + CH5 (n-dodecane) > T15 + CH5 (n-heptane) T15.
2016 Elsevier Ltd. All rights reserved.
http://dx.doi.org/10.1016/j.apenergy.2016.12.054
0306-2619/ 2016 Elsevier Ltd. All rights reserved.
188 X. Liu et al. / Applied Energy 189 (2017) 187200
Nomenclature
for practical application under high load conditions. LTC has gained red reactor (JSR), and general good agreement was achieved.
much attention for the partially premixed combustion characteris- Lemaire et al. [15] compared the soot formation in turbulent
tic. By using exhaust gas recirculation (EGR) dilution, the combus- flames of diesel and the diesel surrogate fuels of n-decane and 1-
tion can be partially decoupled from the injection event. The methylnaphthalene. Experimental results showed that the fraction
ignition delay time is longer while the mixture is leaner, result in of 20% 1-methylnaphthalene of the diesel surrogate fuels exhibited
lower combustion temperature. Thus, the NOx and soot emissions the similar soot formation region with that of diesel.
can be reduced simultaneously. For the superiority and the com- However, the detailed combustion mechanism of the diesel sur-
plexity of LTC, it is necessary to further investigate the combustion rogate fuels usually includes hundreds of species. Due to the limit
and emission characteristics experimentally and theoretically. of the computational resources and expenses, in the short-term,
Three-dimensional computational fluid dynamics (3-D CFD) direct coupled with the detailed mechanism for the 3-D CFD mod-
simulations have been widely used for the engine design and com- elling studies cost a lot of CPU time, which is unbearable for the
bustion optimization at a comparatively lower cost [6,7]. To better practical application. Thus, reduction of the detailed combustion
describe the fuel combustion and emission characteristics, the CFD kinetic mechanism is necessary.
code should be coupled with the corresponding detailed chemical n-Heptane is the most widely used single diesel surrogate to
kinetic mechanisms for combustion and emission predictions. In describe the diesel combustion for its close cetane number
the simulations, the corresponding physical properties, such as (CN 56) to that of diesel (CN 4055). Halstead et al. [16] devel-
density, viscosity, vapor pressure, specific heat capacity, latent heat oped a reduced n-heptane kinetic model to simulate the auto-
of vaporization, and thermal conductivity, should also be consid- ignition measured in a rapid compression machine. Known as the
ered to describe the multi-phase interaction processes, i.e. in the Shell model, this model has been incorporated in many commercial
injection and spray processes [8,9]. While diesel comprises of hun- CFD codes. However, the Shell model was based on empirical fit,
dreds of compositions, and the compositions vary for the different and the operating condition was confined to the lower tempera-
origins and refinery methods, making it quite hard to develop the ture region (650805 K). Curran et al. [17] developed a comprehen-
full-scale detailed combustion kinetic mechanism and measure all sive detailed combustion mechanism of n-heptane, which has been
the relevant physical properties [1012]. Thus, some main surro- extensively validated against the experimental ignition delays and
gate fuels of diesel were often used to simulate the combustion species concentrations. This detailed n-heptane combustion mech-
characteristics. Farrell et al. [13] summarized the database and anism has been used as the basis to obtain the reduced mechanism
kinetic models for the diesel surrogate fuels, and they proposed in many investigations [1820]. However, n-heptane produces
the main criterion in the selection of the surrogate fuels. Mati lower soot emission compared with diesel, given that diesel com-
et al. [14] proposed a detailed surrogate model fuel consisted of prised of a certain amount of aromatics, which contribute to the
n-hexadecane, n-propylcyclohexane, n-propylbenzene, iso-octane, soot emission tremendously [21]. Luo et al. [22] developed a
and 1-methylnaphthalene. They used this model to simulate the reduced n-heptane-toluene-1-hexene mechanism to describe the
experimental species mole fraction profiles measured in a jet stir- combustion of diesel in LTC combustion. Although the addition of
X. Liu et al. / Applied Energy 189 (2017) 187200 189
Table 2
Fuel properties [28].
Table 4
Table 3
Sub-models used in the KIVA code.
Engine operating conditions.
Description Model
Engine speed (rpm) 1400 1.0
Injected mass (mg/cyc) 50 0.5 Turbulence Renormalized (RNG) k-e[50]
Injection pressure (MPa) 80 0.8 Heat transfer Han and Reitz [51]
SOI (CA ATDC) 10 0.5 Spray breakup KH-RT [52]
Intake air pressure (bar) 1.5 0.01 Droplet collision Radius of influence (ROI) [53]
Intake air temperature (K) 313 0.5 Near nozzle flow Gas-jet [54]
EGR ratio (%) 0.55 0.15 Spray wall interaction Han and Xu et al. [55]
Evaporation Discrete multi-component fuel (DMC) [56]
Table 5
which the C0-C2 sub-mechanism has been extensively validated Modelling cases.
[29,31]. Then the upper-class reactions of the n-dodecane and c- Cases Target Physical property Chemistry
hexane sub-mechanisms were merged with the base mechanism, fuel
with the same species and reactions adopted from the base mech- Case1 T15 n-heptane-toluene-c- n-heptane-toluene-c-
anism, forming the reduced n-dodecane-TRF-c-hexane mechanism + CH5 hexane hexane
eventually. Minor adjustments were performed to the reduced n- Case2 Diesel n-tetradecane n-heptane-toluene-c-
dodecane and c-hexane sub-mechanisms to better predict the hexane
Case3 Diesel n-tetradecane n-dodecane-toluene-c-
experimental results based on the method proposed by Ra and
hexane
Reitz [33]. In brief, the adjustments were adopted by analyzing
the sensitivity coefficient of ignition delay, which was defined as,
The NOx emission was predicted by the reduced NOx chemistry 3. Results and discussion
of the original TRF-PAH mechanism [21], and the soot formation
and oxidation processes were predicted by the multi-step phe- 3.1. Experimental results
nomenological soot model with A4 as the precursor [57]. Consider-
ing the 8-hole nozzle configuration of the engine, a 45-sector Fig. 3 shows the experimentally measured in-cylinder pressure
mesh containing 9560 grid points was adopted for computational and heat release rate profiles of diesel and three surrogate fuels
time saving. The mesh grid is illustrated in Fig. 2. The modelling under various EGR rate conditions. Fig. 4 shows the crank angles
studies started from -133 CA ATDC (intake valve closing timing) corresponding to the 10% (CA10) and 50% (CA50) of the total heat
and ended at 125 CA ATDC (exhaust valve opening timing). release for these fuels. As seen in these two figures, overall the
To compare the chemical effects of three diesel surrogate fuels combustion of all fuels were postponed at higher EGR rate, and
on soot formation, 0-D modelling investigations were also per- consequently retarded CA10 and CA50 were observed. This can
formed. Given that A4 is one of the most important soot precursors, be attributed to the lower combustion temperature and oxygen
it was used as the investigated target to indicate the soot formation concentration caused by the introduce of EGR [58].
tendency. For the 0-D modelling study, the SENKIN code in the It can also be observed that the heat release was directly related
CHEMKIN package was used [49]. with the fuel CN value. As seen in Table 2, the CN values of diesel
and the three diesel surrogates can be sequenced as die-
sel > T15 > T15 + CH5 > T20. Given that lower CN indicates lower
fuel reactivity, the ignition and the main combustion phase were
retarded. The CA10 of T15 was close to that of diesel, while CA10
of T15 + CH5 was later and T20 was the latest. Also, due to the
more retarded combustion phasing and higher volatility of diesel
surrogate fuels compared to those of diesel, the premixed combus-
tion became significant and the CA50 advanced. Furthermore, at
lower EGR rate minor discrepancies could be observed among
three diesel surrogate fuels, while at higher EGR rate conditions
larger discrepancies were observed.
Fig. 5 shows the indicated thermal efficiency (ITE), indicated
mean efficient pressure (IMEP), and indicated specific fuel con-
sumption (ISFC) of diesel and the three diesel surrogate fuels from
experiments. It can be observed that at lower EGR rates (640%), the
ITE, IMEP, and ISFC did not change too much. While at higher EGR
rates (>40%), the combustion phasing was retarded and deterio-
rated due to the oxygen deficiency and lower combustion temper-
Fig. 3. Experimentally measured in-cylinder pressure and heat release rate profiles
of diesel and surrogate fuels. Fig. 4. CA10 and CA50 of diesel and surrogate fuels.
192 X. Liu et al. / Applied Energy 189 (2017) 187200
Fig. 7. NOx, soot, CO, and THC emissions of diesel and surrogate fuels.
Fig. 10. Comparisons of the NOx and soot emissions between the modelling and
experiment for Case1.
Fig. 11. Comparisons of the in-cylinder pressure and heat release rate profiles
between experiment and simulations for Case2 and Case3.
Fig. 13. Equivalence ratio and soot distribution contours for Case1, Case2, and Case3.
Fig. 15. Comparisons of the NOx and soot emissions between the modelling (Case3)
and experiment for diesel combustion.
shown in this figure, as the EGR was higher the combustion was
more retarded and the equivalence ratio of the fuel mixture at
CA10 was much lower, resulting in the more premixed combustion
and higher combustion temperature in the chamber. OH radical is
the indicator of the high temperature combustion and an impor-
tant oxidant. The distributions of the OH radical and the high tem-
perature regions coincide with each other. On the other hand,
given that the NOx emissions favor the high temperature and rich
oxygen environment, the NO was reduced as the higher EGR rate
for the lower temperature and oxidant content.
However, the soot emissions were higher at the higher EGR rate.
It can be explained by Fig. 17, showing the time evolution of C2H2,
A1, A4, and soot integrated over the whole computational domain.
It can be observed that the formation of C2H2 and A1 were directly
related with the fuel combustion and heat release rate, given that
these species can be directly formed by the fuel decomposition
reactions of n-dodecane and toluene. The two species were formed
in the fuel combustion and were then fast consumed off. At the
higher EGR rates the formation of C2H2 and A1 were higher due
to the less oxygen and lower combustion efficiency. The formation
of A4 and soot were later than those of C2H2 and A1, and the soot
emission evolution were in accordance with those of the A4 forma-
tion, since A4 is the most important precursor of soot. The final soot
emission was depended on the competition between the soot for-
mation and oxidation processes. As the EGR rate was higher, the
soot formation process was enhanced while the oxidation process
was weakened attributed to the less oxygen content. However,
Fig. 14. Comparisons between the modelling (Case3) and experimental in-cylinder compared with the 50% EGR rate case the soot oxidation process
pressure and heat release rate profiles for diesel combustion.
196 X. Liu et al. / Applied Energy 189 (2017) 187200
Fig. 16. Equivalence ratio and soot distribution contours for Case3.
at the 30% EGR rate was higher and the soot formed can be oxi-
dized fast in the later combustion process. Thus the final soot emis-
sion at the 30% EGR rate was lower than that at the 50% EGR rate.
Fig. 18. /-T maps of A4 formation region for n-heptane, c-hexane, n-dodecane (n-c12h26), and toluene.
Fig. 19. Reaction pathway of toluene at the initial temperature of 1800 K, / = 5.0 and pressure of 10 MPa. Dashed lines represent the multiple-step reactions.
198 X. Liu et al. / Applied Energy 189 (2017) 187200
Fig. 20. Reaction pathways of n-heptane, n-dodecane, and c-hexane at initial temperature of 1800 K, / = 5.0, and pressure of 10 MPa. Dashed lines represent the multiple-
step reactions.
Fig. 21. /-T maps of A4 formation region for T15, T15 + CH5 (n-c7h16), T15 + CH5 (n-c12h26), and T20.
X. Liu et al. / Applied Energy 189 (2017) 187200 199
such as the cyclopentadienyl radical (C5H5), A1, and A1C2H. Com- Acknowledgement
pared to n-heptane, n-dodecane had longer carbon-chain structure
and thus the higher tendency to form C5H5, resulting in more A4. c- The authors would like to acknowledge the financial support
Hexane was easier to produce A4 than the two normal alkanes provided by the National Natural Science Found of China (NSFC)
attributed to the single-ring chemical structure. It can be observed through its Projects of 51320105008 and 91541205.
in Fig. 20 that much C2H2 was formed during the consumption of c-
hexane by the ring-opening and the following decomposition reac-
tions. Furthermore, A1 can also be directly formed via the consec- Appendix A. Supplementary material
utive loss of six H atoms.
Given that toluene was the dominant factor that affects the A4 Supplementary data associated with this article can be found, in
formation, the effects of n-heptane, n-dodecane, and c-hexane on the online version, at http://dx.doi.org/10.1016/j.apenergy.2016.
the A4 formation were considerably weaker. Therefore the A4 for- 12.054.
mation capability (concentration) of these four diesel surrogate
fuels can be sequenced as T20 > T15 + CH5 (n-c12h26) > T15
+ CH5 (n-c7h16) T15, as shown in Fig. 21. The results were in
References
agreement with the trend that obtained in the DICI modelling
study. Considering the similar soot emissions of T15 and T20 in [1] Li J, Yang WM, An H, Chou SK. Modeling on blend gasoline/diesel fuel
the DICI combustion, it can be inferred that the effects of the mix- combustion in a direct injection diesel engine. Appl Energy 2015;160:77783.
ing process induced by the different fuel reactivity prevailed over [2] An H, Yang W, Li J, Maghbouli A, Chua KJ, Chou SK. A numerical modeling on
the emission characteristics of a diesel engine fueled by diesel and biodiesel
the chemical effects on the soot formation. blend fuels. Appl Energy 2014;130:45865.
[3] Ng HK, Gan S, Ng J-H, Pang KM. Simulation of biodiesel combustion in a light-
duty diesel engine using integrated compact biodieseldiesel reaction
mechanism. Appl Energy 2013;102:127587.
[4] Gong C, Jangi M, Bai X-S. Large eddy simulation of n-Dodecane spray
4. Conclusions combustion in a high pressure combustion vessel. Appl Energy
2014;136:37381.
In this work both experimental and numerical investigations on [5] Yao M, Zheng Z, Liu H. Progress and recent trends in homogeneous charge
compression ignition (HCCI) engines. Prog Energy Combust Sci
the combustion and emission characteristics of diesel and three 2009;35:398437.
diesel surrogate fuels were performed. A reduced n-dodecane- [6] Pang KM, Karvounis N, Walther JH, Schramm J. Numerical investigation of soot
TRF-c-hexane-PAH mechanism was constructed and used for the formation and oxidation processes under large two-stroke marine diesel
engine-like conditions using integrated CFD-chemical kinetics. Appl Energy
practical application and 3-D modelling investigations. The effects
2016;169:87487.
of the fuels physical and chemical properties on the soot formation [7] Wang B, Mosbach S, Schmutzhard S, Shuai S, Huang Y, Kraft M. Modelling soot
have been clarified. 0-D modelling investigations on the soot for- formation from wall films in a gasoline direct injection engine using a detailed
mation tendency of diesel surrogate fuels and corresponding surro- population balance model. Appl Energy 2016;163:15466.
[8] Mueller CJ, Cannella WJ, Bays JT, Bruno TJ, DeFabio K, Dettman HD, et al. Diesel
gate constituents were also conducted. The major conclusions of surrogate fuels for engine testing and chemical-kinetic modeling:
the current study can be summarized as follows: compositions and properties. Energy Fuels 2016.
[9] Nazemi M, Shahbakhti M. Modeling and analysis of fuel injection parameters
for combustion and performance of an RCCI engine. Appl Energy
(1) Due to the lower reactivity of the surrogates than diesel, the 2016;165:13550.
combustion phasing of these surrogate fuels were retarded, [10] Anand K, Ra Y, Reitz RD, Bunting B. Surrogate model development for fuels for
resulting in lower ITE and IMEP, and higher ISFC. Since the advanced combustion engines. Energy Fuels 2011;25:147484.
[11] Zheng Z, Lv Z. A new skeletal chemical kinetic model of gasoline surrogate fuel
mixing process of these surrogates were improved owing with nitric oxide in HCCI combustion. Appl Energy 2015;147:5966.
to the higher volatility, stronger premixed combustion were [12] Maghbouli A, Yang W, An H, Li J, Chou SK, Chua KJ. An advanced combustion
observed for these surrogates. Consequently lower soot model coupled with detailed chemical reaction mechanism for D.I diesel
engine simulation. Appl Energy 2013;111:75870.
emissions and higher NOx emissions were obtained com- [13] Farrell JT, Cernansky NP, Dryer FL, Law CK, Friend DG, Hergart CA, et al.
pared to diesel. The CO and THC emissions of all these tested Development of an experimental database and kinetic models for surrogate
fuels were in accordance with the combustion loss. diesel fuels. SAE Technical Paper 2007-01-0201; 2007.
[14] Mati K, Ristori A, Gal S, Pengloan G, Dagaut P. The oxidation of a diesel fuel at
(2) A combined reduced n-dodecane-TRF-c-hexane-PAH mecha-
110 atm: experimental study in a JSR and detailed chemical kinetic modeling.
nism composed of 167 species and 671 reactions was formu- Proc Combust Inst 2007;31:293946.
lated for practical application. The reduced n-dodecane-TRF- [15] Lemaire R, Faccinetto A, Therssen E, Ziskind M, Focsa C, Desgroux P.
c-hexane-PAH mechanism reasonably captured the combus- Experimental comparison of soot formation in turbulent flames of Diesel
and surrogate Diesel fuels. Proc Combust Inst 2009;32:73744.
tion and emission characteristics of the T15 + CH5 in DICI [16] Halstead MP, Kirsch LJ, Quinn CP. The autoignition of hydrocarbon fuels at high
combustion. It was inferred that the fuels physical effects temperatures and pressures - fitting of a mathematical model. Combust Flame
on soot formation and emissions were higher than the 1977;30:4560.
[17] Curran HJ, Gaffuri P, Pitz WJ, Westbrook CK. A comprehensive modeling study
chemical effects. of n-heptane oxidation. Combust Flame 1998;114:14977.
(3) The T15 + CH5 (n-dodecane) surrogate fuel was able to rea- [18] Su W, Huang H. Development and calibration of a reduced chemical kinetic
sonably describe the diesel combustion and emission char- model of n-heptane for HCCI engine combustion. Fuel 2005;84:102940.
[19] Tanaka S, Ayala F, Keck JC. A reduced chemical kinetic model for HCCI
acteristics at various EGR rate conditions. Compared to combustion of primary reference fuels in a rapid compression machine.
T15 + CH5, T15 + CH5 (n-dodecane) is more appropriate to Combust Flame 2003;133:46781.
be the diesel surrogate fuel. [20] Ra Y, Reitz RD. A reduced chemical kinetic model for IC engine combustion
simulations with primary reference fuels. Combust Flame 2008;155:71338.
(4) According to the 0-D modelling investigations, the soot ten- [21] Wang H, Yao M, Yue Z, Jia M, Reitz RD. A reduced toluene reference fuel
dency of the surrogate constituents can be sequenced as chemical kinetic mechanism for combustion and polycyclic-aromatic
toluene > c-hexane > n-dodecane > n-heptane. Given that hydrocarbon predictions. Combust Flame 2015;162:2390404.
[22] Luo J, Yao M, Liu H, Yang B. Experimental and numerical study on suitable
toluene is the dominant factor affecting the soot formation
diesel fuel surrogates in low temperature combustion conditions. Fuel
than the other three components, the soot tendency of these 2012;97:6219.
four diesel surrogate fuels can be sequenced as T20 > T15 [23] Mehl M, Pitz WJ, Westbrook CK, Curran HJ. Kinetic modeling of gasoline
+ CH5 (n-c12h26) > T15 + CH5 (n-c7h16) T15. surrogate components and mixtures under engine conditions. Proc Combust
Inst 2011;33:193200.
200 X. Liu et al. / Applied Energy 189 (2017) 187200
[24] Chang Y, Jia M, Li Y, Liu Y, Xie M, Wang H, et al. Development of a skeletal [43] Mzahmed A, Hadjali K, Dagaut P, Dayma G. Experimental and modeling study
mechanism for diesel surrogate fuel by using a decoupling methodology. of the oxidation kinetics of n-undecane and n-dodecane in a jet-stirred reactor.
Combust Flame 2015;162:3785802. Energy Fuels 2012;26:425368.
[25] Liu H, Li S, Zheng Z, Xu J, Yao M. Effects of n-butanol, 2-butanol, and methyl [44] El Bakali A, Braun-Unkhoff M, Dagaut P, Frank P, Cathonnet M. Detailed kinetic
octynoate addition to diesel fuel on combustion and emissions over a wide reaction mechanism for cyclohexane oxidation at pressure up to ten
range of exhaust gas recirculation (EGR) rates. Appl Energy 2013;112:24656. atmospheres. Proc Combust Inst 2000;28:16318.
[26] Ma S, Zheng Z, Liu H, Zhang Q, Yao M. Experimental investigation of the effects [45] van Lipzig JPJ, Nilsson EJK, de Goey LPH, Konnov AA. Laminar burning
of diesel injection strategy on gasoline/diesel dual-fuel combustion. Appl velocities of n-heptane, iso-octane, ethanol and their binary and tertiary
Energy 2013;109:20212. mixtures. Fuel 2011;90:277381.
[27] Yang B, Yao M, Cheng WK, Li Y, Zheng Z, Li S. Experimental and numerical [46] Davis SG, Wang H, Breinsky K, Law CK. Laminar flame speeds and oxidation
study on different dual-fuel combustion modes fuelled with gasoline and kinetics of benene-air and toluene-air flames. Symp (Int) Combust
diesel. Appl Energy 2014;113:72233. 1996;26:102533.
[28] Murphy MJ, Taylor JD, Mccormick RL. Compendium of experimental cetane [47] Johnston RJ, Farrell JT. Laminar burning velocities and Markstein lengths of
number data. Office of Scientific & Technical Information Technical Reports; aromatics at elevated temperature and pressure. Proc Combust Inst
2004. 2005;30:21724.
[29] Hu W, Ra Y, Ming J, Reitz RD. Development of a reduced n-dodecane-PAH [48] Kumar K, Sung CJ. Laminar flame speeds and extinction limits of preheated n-
mechanism and its application for n-dodecane soot predictions. Fuel decane/O2/N2 and n-dodecane/O2/N2 mixtures. Combust Flame
2014;136:2536. 2007;151:20924.
[30] Qi P, Yao M, Liu H. Reduced mechanical kinetic mechanism of multicomponent [49] Kee RJ, Rupley FM, Miller JA. CHEMKIN II: a fortran chemical kinetics package
surrogate fuel for diesel. Neiranji Xuebao/transactions of Csice 2015;33:916. for the analysis of gas-phase chemical kinetics. Sandia Laboratories Report, S.
[31] Liu X, Wang H, Zheng Z, Liu J, Reitz RD, Yao M. Development of a combined 89-8009B. Sandia National Laboratories; 1989.
reduced primary reference fuel-alcohols (methanol/ethanol/propanols/ [50] Han Z, Reitz RD. Turbulence modeling of internal combustion engines using
butanols/n-pentanol) mechanism for engine applications. Energy RNG k-e models. Combust Sci Technol 1995;106:26795.
2016;114:54258. [51] Han Z, Reitz RD. A temperature wall function formulation for variable-density
[32] Liu X, Wang H, Wei L, Liu J, Reitz RD, Yao M. Development of a reduced toluene turbulent flows with application to engine convective heat transfer modeling.
reference fuel (TRF)-2,5-dimethylfuran-polycyclic aromatic hydrocarbon Int J Heat Mass Transfer 1997;40:61325.
(PAH) mechanism for engine applications. Combust Flame 2016;165:45365. [52] Ricart LM, Reitz RD, Dec JE. Comparisons of diesel spray liquid penetration and
[33] Ra Y, Reitz RD. A combustion model for IC engine combustion simulations with vapor fuel distributions with in-cylinder optical measurements. J Eng Gas
multi-component fuels. Combust Flame 2011;158:6990. Turbines Power 1999;122:58895.
[34] Fieweger K, Blumenthal R, Adomeit G. Self-ignition of S.I. engine model fuels: a [53] Munnannur A, Reitz RD. Comprehensive collision model for multidimensional
shock tube investigation at high pressure. Combust Flame 1997;109:599619. engine spray computations. Atom Sprays 2009;19:597619.
[35] Shen HS, Vanderover J, Oehlschlaeger MA. A shock tube study of the auto- [54] Yoshikawa T, Reitz RD. Validation of a grid independent spray model and fuel
ignition of toluene/air mixtures at high pressures. Proc Combust Inst chemistry mechanism for low temperature diesel combustion. Int J Spray
2009;32:16572. Combust Dyn 2009;1:283316.
[36] Vasu SS, Davidson DF, Hong Z, Vasudevan V, Hanson RK. n-Dodecane oxidation [55] Han Z, Xu Z, Trigui N. Spray/wall interaction models for multidimensional
at high-pressures: measurements of ignition delay times and OH engine simulation. Int J Engine Res 2000;1:12746.
concentration time-histories. Proc Combust Inst 2009;32:17380. [56] Ra Y, Reitz RD. A vaporization model for discrete multi-component fuel sprays.
[37] Zhukov VP, Sechenov VA, Starikovskii AY. Autoignition of n-decane at high Int J Multiphase Flow 2009;35:10117.
pressure. Combust Flame 2008;153:1306. [57] Vishwanathan G, Reitz RD. Modeling soot formation using reduced polycyclic
[38] Lemaire O, Ribaucour M, Carlier M, Minetti R. The production of benzene in the aromatic hydrocarbon chemistry in n-heptane lifted flames with application to
low-temperature oxidation of cyclohexane, cyclohexene, and cyclohexa-1,3- low temperature combustion. J Eng Gas Turbines Power 2009;131:032801.
diene. Combust Flame 2001;127:197180. [58] Sjberg M, Dec JE, Hwang W. Thermodynamic and chemical effects of EGR and
[39] Daley SM, Berkowitz AM, Oehlschlaeger MA. A shock tube study of its constituents on HCCI autoignition. SAE Techanical Paper 2007-01-0207;
cyclopentane and cyclohexane ignition at elevated pressures. Int J Chem 2007.
Kinet 2008;40:62434. [59] Tsurushima T, Kunishima E, Asaumi Y, Aoyagi Y, Enomoto Y. The effect of
[40] Bakali AE, Delfau JL, Vovelle C. Experimental study of 1 atmosphere, rich, knock on heat loss in homogeneous charge compression ignition engines. Sae
premixed n-heptane and iso-octane flames. Combust Sci Technol Technical Papers 2002-01-0108; 2002.
1998;140:6991. [60] Hildingsson L, Kalghatgi G, Tait N, Johansson B, Harrison A. Fuel octane effects
[41] Marchal C, Delfau J, Vovelle C, Morac G, Mounam-Rousselle C, Mauss F. in the partially premixed combustion regime in compression ignition engines.
Modelling of aromatics and soot formation from large fuel molecules. Proc SAE Technical Paper 2009-01-2648; 2009.
Combust Inst 2009;32:7539. [61] Akihama K, Takatori Y, Inagaki K, Sasaki S, Dean AM. Mechanism of the
[42] Li Y, Cai J, Zhang L, Yuan T, Zhang K, Qi F. Investigation on chemical structures smokeless rich diesel combustion by reducing temperature. SAE Technical
of premixed toluene flames at low pressure. Proc Combust Inst Paper 2001-01-0655; 2001.
2011;33:593600.