Fundamental Combustion Characteristics of Gasoline ... Presentations...13 Slide credit: Tamour Javed...
Transcript of Fundamental Combustion Characteristics of Gasoline ... Presentations...13 Slide credit: Tamour Javed...
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Fundamental Combustion Characteristics of
Gasoline Compression Ignition (GCI) FuelsS. Mani Sarathy, Clean Combustion Research Center, KAUST
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Acknowledgments
Farooq, Javed, Abbad, Chen, Selim, Ahmed, Naser, Singh, Bhavani Shankar, Mohamed, Atef, Manaa, Roberts, Chung
Dagaut
Hansen
Curran et al.
Pitz, Mehl, Westbrook
Sponsors
Oehlschlaeger et al.
Kukkadapu, Sung
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What is KAUST?
• Founded in 2009 on the
shores of the Red Sea
• Graduate study only
research-based University
• International privately
operated instituion in
Saudi Arabia (~80
nationalities)
Aleppo
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Engines and Fuels
SI
• Easy emission control
• Lower efficiency
• High-octane gasolines
(AKI* 90)
• Expensive emission control
• Higher efficiency
• Diesel fuel
• Bad control
• Can use almost any fuel
• High efficiency and
better emissions
• Low-octane gasolines
(AKI 70)
CI
HCCI
PPC/
GCI
∗ 𝐴𝐾𝐼 = 𝑅𝑂𝑁+𝑀𝑂𝑁
2
Slide credit: Tamour Javed/Bengt Johansson
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n-alkanes
branched alkanes
cycloalkanes
aromatics tetralin
1-methylnaphthalene
1,2,4-trimethylbenzene
decalin
n-dodecylcyclohexane
n-hexadecane
n-dodecane
2-methylpentadecane
3-methyldodecane
2,9-dimethyldecane
1. Molecular Level Fuel Characterization
2. Surrogate Fuel Formulation•Reproduces target properties of real fuel•H/C ratio, functional groups, molecular weight, ignition
3. Chemical Kinetic Modeling
4. Experimental Testing
5. Predict CombustionCoupled kinetic/fluid models
6. Fuel/Engine Design
Fuels
Light Gases Diesels Solid fuels
Naphthas Lubricants Synthetic fuels
Gasolines Heavy fuel oils Oxygenates
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Fuels for advanced gasoline engines
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WT
T &
TT
W e
mis
sio
ns r
ed
uctio
ns
• Low carbon emissions [SAE 2013-01-2701]
• Low fuel consumption (BSFC) [SAE 2012-01-0677]
• Lower regulated emissions [SAE 2014-01-2678]
• Additional benefits – low aromatics: better H/C ratio, low engine-out soot
• Optimum fuel for GCI engines
are in 60 – 85 octane range
Slide credit: Tamour Javed
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Fuels for Advanced Combustion Engines
FACE Gasolines
Collaborative research program led by KAUST with LLNL, UConn, RPI, UC Berkeley, CNRS...- Acquisition of 6 FACE fuels (A, C, F, G, I, J)- Compositional Analysis- Testing in ST, RCM, and JSR at different facilities- Formulation of suitable surrogates, modeling and validation- Kinetic analysis
Only sold in 55 gal barrels
7
RON 70 to 97
Sensitivity 0 to 11
Aromatics 0 to 35%
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Ideal reactors
• GCI fuels are tested at wide range of combustion conditionsLaminar Flames
Fundamental Data for GCI Fuels
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Ignition Devices
Engines
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Surrogate formulation methodology
Optimization of palette species blend by matching target properties (Ahmed et al.)
• Target Properties• H/C ratio
• Density
• RON & MON
• DCN
• Carbon type mole fraction
(DHA, PIONA, NMR)
• Distillation curve
Ahmed et al., Fuel 143 (2015) 290-300.
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iso-Alkanes
iso-pentane(2-methylbutane)
2-methylhexane
iso-octane(2,2,4-trimethylpentane)
n-Alkanes
n-butane
n-heptane
Aromatics
Toluene124-trimethylbenzene
1-hexene
Alkenes
cyclopentane
Cycloalkanes
1,2,4-trimethylbenzene
1-hexene
cyclopentane
Try it:cloudflame.kaust.edu.sa
Chemical Kinetic Models
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The purpose of models is not to fit the data but to sharpen the questions.
-Samuel Karlin
Public Position
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The purpose of models is to fit the data.
Private Position
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• Ignition of GCI Fuels and Surrogates
– Shock tube and rapid compression machine ignition delay and species
measurements
• Low-octane Fuels (Light naphtha AKI 64 and FACE I AKI 70)
• Mid-octane Fuels (FACE A and C AKI 84)
• High-octane Fuels (TPRF surrogates and wide range of high octane
gasolines AKI 91)
• Understanding surrogate complexity requirements using targeted
experiments and chemical kinetics analysis
– PRF, TPRF and multi-component surrogates
Summary of GCI Fuel Ignition Studies
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Light Naphtha Fuel Characterization
• Detailed hydrocarbon analysis (DHA) and octane testing (RON & MON) were done
at Saudi Aramco R&DC
• Low octane (RON = 64.5, MON = 63.5), highly paraffinic (> 90% paraffinic content)
fuel
Light
naphtha
RON 64.5
MON 63.5
Sensitivity 1
H/C ratio 2.34
Avg. mol. wt. 78.4
n-alkanes 55.4
iso-alkanes 35.9
Cycloalkanes 6.7
Aromatics 1.32
13Slide credit: Tamour Javed (Javed et al, PROCI 2016)
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Multi-component Surrogate Formulation
Species mol%
2-methylbutane 0.25
2-methylhexane 0.1
n-pentane 0.43
n-heptane 0.12
Cyclopentane 0.1
LN-KAUST surrogate composition
14Slide credit: Tamour Javed (Javed et al, PROCI 2016)
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Comparison of Experimental Data with Surrogate Simulations
• LN-KAUST and PRF 64.5 simulations are in good agreement with each other
and with data at high temperature and NTC region
• At low temperatures, PRF 64.5 simulations are more reactive by a factor of
two specially at f = 1 and 215
f = 0.5 f = 1 f = 2
Slide credit: Tamour Javed (Javed et al, PROCI 2016)
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Low Temperature Rich Conditions: Experiments and Simulations
f = 2
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• Further targeted experiments reveal same
trends at low temperatures
• LN-KAUST simulations and experiments
are in good agreement with light naphtha
data
• PRF 64.5 simulations and data are around
a factor of two faster
• Multi-component surrogate (LN-KAUST)
works better over a broad range of test
conditions
Slide credit: Tamour Javed (Javed et al, PROCI 2016)
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FACE I Measurements
• FACE I exhibits full NTC behavior in 750 –
850 K range
• PRF 70 captures the reactivity of FACE I
• PRF 70 marginally faster ( 25 %) at low
temperatures17
Fuel / air, f = 1,
P = 20 bar
Slide credit: Tamour Javed (unpublished)
FACE IFG-I
surrogate
PRF 70
surrogate
RON 70.3 70.7 70
MON 69.6 68.4 70
Sensitivity 0.7 2.3 0
Avg. mol. wt. 95.5 98.9 109.7
n-alkanes 14 12 33
iso-alkanes 70 72 67
Cycloalkanes 4 6 0
Aromatics 5 4 0
Olefins 7 6 0
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Low Temperature Octane Dependence
Fuels with S < 7 exhibit weak octane
dependence on ignition delay times
Fuels with S > 7 exhibit octane
dependence on ignition delay times
Sensitivity (S) = RON – MON
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Low Octane GCI Study
Fuel Light naphtha PRF 65 FACE I gasoline PRF70
RON 64.18 65 70.3 70
S (=RON-MON) 0.61 0 0.7 0
Density (kg/m3) 642 689 688 690
H/C 2.34 2.26 2.25 2.26
Slide credit: Nimal Naser (unpublished)
Description Specification
Injector type Common rail piezo-injector
Injector model Bosch (0445116030)
Fuel inj. pressure 300 bar
Injector holes 7
Nozzle hole diameter 0.18 mm
Spray included angle 142°
Fuel injector
Piston
Combustion
chamber
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Mass of fuel for constant CA50
Mass of PRF 65 to achieve constant CA50 of 4°CA aTDC CA50 of different fuels using same mass as PRF 65 at
corresponding SOISlide credit: Nimal Naser (unpublished)
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Equivalence ratio distribution for PRF 65 and LN
Equivalence ratio distribution on the piston bowl surface at 1°CA aTDC (above) side view
of piston bowl (middle), T-f map colored with OH mass fraction with SOI at 19 °CA bTDC
PRF 65 LN
Slide credit: Nimal Naser (unpublished)
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CFD on the fuel stratification with injection time
Slide credit: Bengt Johansson
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DCN of 71 pure compounds and 54 blends was collected/ measured using IQT.
Dataset was used to study the relationship between CN/DCN and 8 structural parameters
1) Paraffinic CH3 groups
2) Paraffinic CH2 groups
3) Paraffinic CH groups
4) Olefinic CH-CH2 groups
5) Naphthenic CH-CH2 groups
6) Aromatic C-CH groups
7) Molecular weight
8) A new parameter called as Branching Index (BI)
Predicting ignition quality from NMR spectra
Slide credit: Abdul Jameel (Energy Fuels 2016)
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NMR Based Model
DCN= −21.71 + 0.2730 ∗ paraffinic CH3 wt %
+0.5645 ∗ paraffinic CH2 wt %
+0.2393 ∗ paraffinic CH wt %
−0.0031 ∗ olefinic CH − CH2 wt %
+0.3238 ∗ naphthenic CH − CH2 wt %
+0.2481 ∗ aromatic C − CH wt %
+0.2484 ∗ Molecular weight
−20.27 ∗ BI
1H NMR spectra
Slide credit: Abdul Jameel (Energy Fuels 2016)
Try it:cloudflame.kaust.edu.sa
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Predictive capability
The model was validated with 22 real fuel mixtures (gasoline / diesel) and 59
blends of known composition.
Slide credit: Abdul Jameel (Energy Fuels 2016)
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• Both physical and chemical kinetic properties of GCI fuels
control combustion performance
• Surrogates used for CFD simulations need to capture both
physical and chemical kinetic features (depending on engine
operating mode).
• Fuel design based on first principles of combustion
chemistry is possible.
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Summary
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27
MAKE COMBUSTION
GREAT AGAIN
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شكرا
[email protected] http://cpc.kaust.edu.sa
谢谢 Thank you
Merci Grazie
GraciasDank u
ありがとう
Kiitos
Děkuju
धन्यवाद
감사합니다
terima kasih
takk
متشکرم
شکريا
Cảm ơn bạn
Dziękuję
Спасибо
köszönöm Tack
ขอบคุณ
Obrigado
hvala
நன்றி
teşekkür ederim
Danke
ευχαριστώ Efharistó
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Fuel design from chemical kinetics
• Higher sensitivity fuel displays less NTC behavior; less reactive at RON-like and more reactive at MON-like.
• At RON-like conditions, fuel components that control OH radical pool are rate controlling
• At MON-like conditions, fuel components that drive OH and HO2 radical coupling are important
1.E-03
1.E-02
1.E-01
1 1.1 1.2 1.3 1.4 1.5
Ign
itio
n D
ela
y T
ime (
s)
1000/T (1/K)
const. vol. simulations 20 atm, stoichiometric fuel/air mixtures
RON=94, S=5.6
RON=97, S=11
700KRON-like825K
MON-like
1.E-15
1.E-13
1.E-11
1.E-09
1.E-07
1.E-05
1.E-03
1.E-01
500
1000
1500
2000
2500
3000
3500
0 0.005 0.01 0.015 0.02 0.025
Mo
le F
racti
on
Te
mp
era
ture
(K
)
Time (s)
20 atm, 700 K, phi=1
FGG-Temp FGF-Temp FGG-OH FGF-OH FGG-HO2/1000
1.E-15
1.E-13
1.E-11
1.E-09
1.E-07
1.E-05
1.E-03
1.E-01
500
1000
1500
2000
2500
3000
3500
0 0.005 0.01 0.015 0.02 0.025
Mo
le F
rac
tio
n
Tem
pe
ratu
re (
K)
Time (s)
20 atm, 825 K, phi=1
FGG-Temp FGF-Temp FGG-OH FGF-OH FGG-HO2/1000 FGF-HO2/1000
• Modeling rationalizes non-linear blending effects (source/sink interactions)
• Aromatic/alcohol and aromatic/naphthenic couplings
Sarathy et al, Combust Flame 2016
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RON, MON, and S correlations
CPC group
4
MC90.5(2.5) TRF89.1(3.5) MC90.9(8.2) TRF89.3(11.1)
0
5
10
15
20
25
30
10 20 30 40 50
Ign
itio
n d
ela
y t
ime
(m
s)
Pressure (bar)
MC90.9(-0.2)
MC90.5(2.5)
TRF89.1(3.5)
MC90.9(8.2)
TRF89.3(11.1)
TRF92.3(11.6)
TRF,93.7,(3.4)
TRF97.7(11.5)
TRF95.2(4.7)
TRF86.6(2.4)
TRF85.7(1.1)
TRF98(10.6)
TRF65.9(8.2)
TRF76.2(5.3)
TRF75.6(8.7)
TRF85.2(10.4)
TRF89.3(11.1)
TRF93.4(11.9)
TRF96.9(11.7)
TRF99.8(11.1)
0
0.2
0.4
0.6
0.8
1
1.2
1.4
1.6
1.8
2
0 1 2 3 4 5 6 7 8 9 10 11 12
Pre
ssu
re E
xp
on
en
t (N
)
Fuel Sensitivity (S)
850 K, 50 bar in Air Phi 1.0 IDT = a * P ^ -N
Singh, Badra, Mehl, Sarathy, Energy Fuels 2016
• Engineering correlations can be made using simulated ignition delay times (79 fuels in training set)
• Reaction path analysis shows the effects of fuel composition (PIONA) on radical source/sink
• Pressure dependence of a ignition delay is correlated to sensitivity such that quantitative predictions can be made
RON (S)