Post on 22-Aug-2021
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Virtual chemistry for temperature and pollutant prediction in LES of non-adiabatic turbulent flames
Giampaolo Maio , Melody Cailler and Benoît Fiorina11 2
Laboratoire EM2C, 3 rue Joliot Curie 91192 Gif Sur Yvette cedex, France
SAFRAN Tech, Rue des Jeunes Bois, Châteaufort - CS 80112, 78772 Magny-les-Hameaux, France
1)
2)
Journées conjointes Groupement de Recherche CNRS Feux - Groupement Français de Combustion
Hydrocarbon/O2 kinetic model - pollutant formation
C2H6
C2H5
C2H4
C2H3
C2H2
CH4
CH3
CH3OO
CH3O
CH2O
HCO
CO
CHi
CH3OOH
CH3OH
CH2OH
CO2
(+O2, O, OH, H)
(+O2)
(+O2)
(+OH)PAH
�2E. Ranzi et al. (1994) Henry J. Curran (2018)
Oxydation
CH4/Air
Pyrolysis
• Several path from CH4 CO2
• High / Lox temperature Oxydation
• Pollutant formation :
• CO
• NO
• PAH
NO
Hydrocarbon/O2 kinetic model - pollutant formation
C2H6
C2H5
C2H4
C2H3
C2H2
CH4
CH3
CH3OO
CH3O
CH2O
HCO
CO
CHi
CH3OOH
CH3OH
CH2OH
CO2
(+O2, O, OH, H)
(+O2)
(+O2)
(+OH)PAH
�3E. Ranzi et al. (1994) Henry J. Curran (2018)
Oxydation
CH4/Air
Pyrolysis
• Several path from CH4 CO2
• High / Lox temperature Oxydation
• Pollutant formation :
• CO
• NO
• PAH
NO
Detailed chemistry needed to accurately predict pollutants
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Pollutant formation prediction in large scale application
• Reduced order chemistry models needed to limit the simulation CPU cost
➡ Turbulent flow field
➡ Air/Fuel stratification
➡ Multiple combustion regimes
➡ Heat losses etc…
➡ Intermediate / Product species
CO : ➡ Fast / Long time scales
➡ Slow recombination / Reburning
NO :
• Detailed chemistry too expensive
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Chemistry modeling in LES• Strategies employed in Large Eddy Simulation to reduce CPU cost associated to
combustion chemistry modeling:
➡ Tabulated chemistry
Peters (1984)Gicquel et al., (2000)Van Oijien et al., (2001)Pierce and Moin (2005)Fiorina et al. (2010)
- Detailed chemistry
- Flamelet regime- Multiple coordinates, Flame index
➡ Global optimized mechanisms
Westbrook et al., (1981) Jones et al., (1988) Franzelli et al., (2010) - Limited range of operating conditions
- Pollutant…
- Low CPU cost- Temperature, flame speed
➡ Systematically reduced chemistry:
1. Skeletal
2. Analytically reduced
Luche (2003)Lu and Law (2005)P. Pepiot and H. Pitsch(2008)Jaravel et al., (2016)
- Accurate flame structure description including pollutants
- High CPU cost- Size scales with fuel complexity
Reduced chemistryReduce the number of species and reactions
Virtual chemistry (M. Cailler et al. 2017)
Alternative method
Reduced order chemistry models in LES• Define a new reduced transported species method:
Detailed chemistry
➡ Build-up reduced chemical mechanisms from scratch
➡ Use virtual species and virtual reactions
➡ Build-up dedicated sub-mechanisms to predict flame quantities of interest.
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• Virtual kinetic scheme composed by:
• virtual species • virtual reactions
Chemical modeling ConclusionLES of turbulent swirled burner
M. Cailler, N. Darabiha, D. Veynante and B. Fiorina. Building-up virtual optimized mechanism for flame modeling. Proceeding of the Combustion Institute (2017)
Virtual kinetic mechanisms
• The strategy relies on optimizing:
• the number of virtual species and virtual reactions
• thermodynamic properties of virtual species
• reaction rate parameters of the virtual scheme
➡ Species properties
➡ Kinetic rate parameters
Ai, Eai, Fki
Reference database computed with detailed chemistry:
• 0D Reactors
• Equilibrium calculations
• 1D laminar calculations (premixed and/or non premixed, non-adibatic, etc…)
optimization loop
�7�7
Virtual optimized mechanisms
Introduction Chemical modeling ConclusionLES of turbulent swirled burnerVirtual optimized mechanisms methodology
Navier Stokes equationssolver
Detailed chemistrymechanism
Computation ofrepresentative configurations
Reference flame library★ Equilibrium computations★ 1-D unstretched premixed flame★ 1-D counterflow diffusion flames★ etc
Main mechanism for flame/flow field interaction prediction
★Mixture properties★ Temperature★Density★Heat Release
Sub-mechanisms for pollutant species
CO block
NOx block
PAH block
Optimizationloop
�8�8
Reference flame library :★Equilibrium computations
★1D-flame archetypes:
• 1-D unstretched premixed flames
• 1-D counterflow diffusion flames
• 1-D non-adiabatic flames (Burner-Stabilized)
• etc…
Selected flame quantities
• Thermodynamic• Transport • Kinetic
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Introduction Chemical modeling ConclusionLES of turbulent swirled burner
Virtual species
M. Cailler, N. Darabiha, D. Veynante and B. Fiorina. Building-up virtual optimized mechanism for flame modeling. Proceeding of the Combustion Institute (2017)
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Main virtual mechanism generation procedure↵FF + ↵OxOx+ ↵DD ! ↵II + ↵DD
I !Nv
PX
k=1
↵PkPk
(1)
(2)
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Reference flame library :★Equilibrium computations★1D-flame archetypes:
• 1-D unstretched premixed flame
• 1-D counterflow diffusion flames
• 1-D non-adiabatic flames (Burner-Stabilized)
• etc…
Step1: Species properties
Target : Mean mixture properties
Virtual reactions
Step II: Kinetic rate parameters
Ai, Eai, Fki
Target : - Temperature - Flame speed
0.4 0.6 0.8 1.0 1.2 1.4 1.6 1.8[�]
5
10
15
20
25
30
35
40S l
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1 ]
Validation versus the reference solution (GRI3.0)Virtual optimized chemistry: Adiabtic/Non-adiabatic conditions
➡ Laminar flame consumption speed
➡ Freely propagating
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Reference NAD solution
NAD Virtual - mechanism
Reference AD solution
Quenching limit fixed at Sl = 5cm/s
Adiabatic
0.4 0.6 0.8 1.0 1.2 1.4 1.6 1.8f [�]
5
10
15
20
25
30
35
40S l
[cm
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1 ]
Validation versus the reference solution (GRI3.0)Virtual optimized chemistry: Adiabtic/Non-adiabatic conditions
➡ Laminar flame consumption speed
➡ Freely propagating
➡ Burner-stabilized
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Reference NAD solution
NAD Virtual - mechanism
Reference AD solution
Quenching limit fixed at Sl = 5cm/s
Adiabatic
Non Adiabatic
Introduction Chemical modeling ConclusionLES of turbulent swirled burnerVirtual optimized mechanisms: pollutants (CO)
�12�12
Navier Stokes equationssolver
Detailed chemistrymechanism
Computation ofrepresentative configurations
Reference flame library★Equilibrium computations★1-D unstretched premixed flame★1-D counterflow diffusion flames★1-D non adiabatic premixed flamelets★etc…
Main mechanism for flame/flow field interaction prediction
★ Mixture properties★ Temperature★ Density★ Heat Release
Sub-mechanisms for pollutant species
CO block
NOx block
PAH block
Optimizationloop
Optimizationloop
Virtual optimized mechanisms
Introduction Chemical modeling ConclusionLES of turbulent swirled burnerCO pollutant sub-mechanism
(3)
(4)
↵FF + ↵OxOx ! ↵CO + (1� ↵)V1
F + V1 ! F + CO
CO $ V2 (5)
• 3 step mechanism :
Calc
• Rate of progress
capture Yco at equilibrium
q3 = A3f3(�,�h)exp
✓�Ea,3
RT
◆[F ]F
3F [Ox]F
3Ox
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q4 = A4f4(�,�h)exp
✓�Ea,4
RT
◆[F ]F
4F [V1]
F 4V1
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q5 = A5f5(�,�h)exp
✓�Ea,5
RT
◆ [CO]F
5CO [V2]
F 5V2 � [CO]R
5CO [V2]
R5V2
Kvc,5 (�,�h)
!
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�13�13
Virtual - mechanism
Reference
Validation in adiabatic conditions
�14
CH4/air combustion at atmospheric pressure and T fresh of 300K
• M. Cailler, N. Darabiha, D. Veynante and B. Fiorina. Building-up virtual optimized mechanism for flame modeling. Proceeding of the Combustion Institute (2017)
• M. Cailler, N. Darabiha and B. Fiorina. Virtual chemistry for pollutant emissions prediction. Submitted to Combustion and Flame
� = 0.6 � = 1.0 � = 1.8
1D Premixed laminar flames
Validation in adiabatic conditions
�15
CH4/air combustion at atmospheric pressure and T fresh of 300K
• M. Cailler, N. Darabiha, D. Veynante and B. Fiorina. Building-up virtual optimized mechanism for flame modeling. Proceeding of the Combustion Institute (2017)
• M. Cailler, N. Darabiha and B. Fiorina. Virtual chemistry for pollutant emissions prediction. Submitted to Combustion and Flame
Virtual - mechanismReference
1D Non-Premixed flames
➡No flame index
➡No multiple chemical table coordinates
1-D premixed flame submitted to radiative heat losses
�16
0 5 10 15 20x [mm]
0.000
0.010
0.020
0.030
0.040
0.050
Y CO
[�]
e
➡ CO mass fraction / Flame Front
Reference solution
Virtual - mechanism
• CO production well captured in the post-flame region / local equilibrium change
100 200 300 400 500x [mm]
0.000
0.003
0.005
0.007
0.010
0.013
0.015
0.018
0.020
Y CO
[�]
e
➡ CO mass fraction / Post Flame
• A radiation sink is added to the energy balance equation of the 1-D flame solver
u⇢cpdT
dx� d
dx
✓�dT
dx
◆+X
k
(⇢YkVkcpk)dT
dx+X
k
hk!k + �✏�T 4 � T 4
0
�= 0
➡ No enthalpy coordinate
1D Non-adiabatic
Introduction Chemical modeling ConclusionLES of turbulent swirled burnerVirtual optimized mechanisms: pollutants (NO)
�17�17
Navier Stokes equationsLES solver
Detailed chemistrymechanism
Computation ofrepresentative configurations
Reference flame library★Equilibrium computations★1-D unstretched premixed flame★1-D counterflow diffusion flames★1-D non adiabatic premixed flamelets★etc…
Main mechanism for flame/flow field interaction prediction
★Mixture properties★ Temperature★Density★Heat Release
Sub-mechanisms for pollutant species
CO block
NOx block
PAH block
Optimizationloop
Optimizationloop
Virtual optimized mechanisms
↵FF + ↵OxOx ! ↵V1 + (1� ↵� �)V2 + �V3<latexit sha1_base64="PzV+syufsinJFkhQjgWG8CfVfos=">AAACUHicbVBLb9NAEB6HVwmPBjhyGREhFSEiuyABt0pIFbcWiaSV4sgab6fJqru2tTuGVlb+HD+BGwfuXOHEDdbGlaBlLvs9ZnZ2v7wy2kscf4kGV65eu35j4+bw1u07dzdH9+7PfFk7xVNVmtId5uTZ6IKnosXwYeWYbG74ID950/oHH9h5XRbv5azihaVloY+1IglSNkpTMtWKsl3cxafYk2bvdI17p5g6vVwJOVd+7C2cZUno20rw2bkSwJKspSfB227v6FggzzEbjeNJ3BVeBkkPxtDXfjb6mh6VqrZciDLk/TyJK1k05EQrw+thWnuuSJ3QkucBFmTZL5ouhTU+rj1JiRU71AY7kf+eaMh6f2bz0GlJVv6i14r/8+a1HL9aNLqoauFCtYtEG+4WeeV0iJfxSDsWofbljLpARY5E2GkkpYJYh7yHIY/k4u8vg9n2JI knybsX453XfTIb8BAewRYk8BJ24C3swxQUfIJv8B1+RJ+jn9GvQfSn9fyEB/BPDYa/AR3hr84=</latexit><latexit sha1_base64="PzV+syufsinJFkhQjgWG8CfVfos=">AAACUHicbVBLb9NAEB6HVwmPBjhyGREhFSEiuyABt0pIFbcWiaSV4sgab6fJqru2tTuGVlb+HD+BGwfuXOHEDdbGlaBlLvs9ZnZ2v7wy2kscf4kGV65eu35j4+bw1u07dzdH9+7PfFk7xVNVmtId5uTZ6IKnosXwYeWYbG74ID950/oHH9h5XRbv5azihaVloY+1IglSNkpTMtWKsl3cxafYk2bvdI17p5g6vVwJOVd+7C2cZUno20rw2bkSwJKspSfB227v6FggzzEbjeNJ3BVeBkkPxtDXfjb6mh6VqrZciDLk/TyJK1k05EQrw+thWnuuSJ3QkucBFmTZL5ouhTU+rj1JiRU71AY7kf+eaMh6f2bz0GlJVv6i14r/8+a1HL9aNLqoauFCtYtEG+4WeeV0iJfxSDsWofbljLpARY5E2GkkpYJYh7yHIY/k4u8vg9n2JI knybsX453XfTIb8BAewRYk8BJ24C3swxQUfIJv8B1+RJ+jn9GvQfSn9fyEB/BPDYa/AR3hr84=</latexit><latexit sha1_base64="PzV+syufsinJFkhQjgWG8CfVfos=">AAACUHicbVBLb9NAEB6HVwmPBjhyGREhFSEiuyABt0pIFbcWiaSV4sgab6fJqru2tTuGVlb+HD+BGwfuXOHEDdbGlaBlLvs9ZnZ2v7wy2kscf4kGV65eu35j4+bw1u07dzdH9+7PfFk7xVNVmtId5uTZ6IKnosXwYeWYbG74ID950/oHH9h5XRbv5azihaVloY+1IglSNkpTMtWKsl3cxafYk2bvdI17p5g6vVwJOVd+7C2cZUno20rw2bkSwJKspSfB227v6FggzzEbjeNJ3BVeBkkPxtDXfjb6mh6VqrZciDLk/TyJK1k05EQrw+thWnuuSJ3QkucBFmTZL5ouhTU+rj1JiRU71AY7kf+eaMh6f2bz0GlJVv6i14r/8+a1HL9aNLqoauFCtYtEG+4WeeV0iJfxSDsWofbljLpARY5E2GkkpYJYh7yHIY/k4u8vg9n2JI knybsX453XfTIb8BAewRYk8BJ24C3swxQUfIJv8B1+RJ+jn9GvQfSn9fyEB/BPDYa/AR3hr84=</latexit><latexit sha1_base64="PzV+syufsinJFkhQjgWG8CfVfos=">AAACUHicbVBLb9NAEB6HVwmPBjhyGREhFSEiuyABt0pIFbcWiaSV4sgab6fJqru2tTuGVlb+HD+BGwfuXOHEDdbGlaBlLvs9ZnZ2v7wy2kscf4kGV65eu35j4+bw1u07dzdH9+7PfFk7xVNVmtId5uTZ6IKnosXwYeWYbG74ID950/oHH9h5XRbv5azihaVloY+1IglSNkpTMtWKsl3cxafYk2bvdI17p5g6vVwJOVd+7C2cZUno20rw2bkSwJKspSfB227v6FggzzEbjeNJ3BVeBkkPxtDXfjb6mh6VqrZciDLk/TyJK1k05EQrw+thWnuuSJ3QkucBFmTZL5ouhTU+rj1JiRU71AY7kf+eaMh6f2bz0GlJVv6i14r/8+a1HL9aNLqoauFCtYtEG+4WeeV0iJfxSDsWofbljLpARY5E2GkkpYJYh7yHIY/k4u8vg9n2JI knybsX453XfTIb8BAewRYk8BJ24C3swxQUfIJv8B1+RJ+jn9GvQfSn9fyEB/BPDYa/AR3hr84=</latexit>
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Virtual sub-mechanism for NO prediction
(3)
NO sub-mechanism :
• Challenge : multiple time scale to capture + post-flame reburning effects
(4)
(5)
Flame Front / Fast NO formation
F +NO ! F + V2
V1 + F +Ox ! �NO + (1� �)V2 + F +Ox
Post Flame / Slow NO formation and consumption
V2 $ NO<latexit sha1_base64="Cv2aDJYrmxhQl+sSMfDADzBK3KA=">AAACCnicbVDLSgNBEJz1GeNrVfDiZTAInsJuENRbwIsnjWAekITQO+kkQ2YfzPQqIeYP/AqvevImXv0JD/6Lu3EPmlinoqqbri4vUtKQ43xaC4tLyyurubX8+sbm1ra9s1szYawFVkWoQt3wwKCSAVZJksJGpBF8T2HdG16kfv0OtZFhcEujCNs+9APZkwIokTr2fq1T4i2FPdKyPyDQOrznV9cdu+AUnSn4PHEzUmAZKh37q9UNRexjQEKBMU3Xiag9Bk1SKJzkW7HBCMQQ+thMaAA+mvZ4mn/Cj2IDFPIINZeKT0X8vTEG35iR7yWTPtDAzHqp+J/XjKl31h7LIIoJA5EeIqlwesgILZNikHelRiJIkyOXAReggQi15CBEIsZJU/mkD3f2+3lSKxVdp+jenBTK51kzOXbADtkxc9kpK7NLVmFVJtgDe2LP7MV6tF6tN+v9Z3TBynb22B9YH983HpoX</latexit><latexit sha1_base64="Cv2aDJYrmxhQl+sSMfDADzBK3KA=">AAACCnicbVDLSgNBEJz1GeNrVfDiZTAInsJuENRbwIsnjWAekITQO+kkQ2YfzPQqIeYP/AqvevImXv0JD/6Lu3EPmlinoqqbri4vUtKQ43xaC4tLyyurubX8+sbm1ra9s1szYawFVkWoQt3wwKCSAVZJksJGpBF8T2HdG16kfv0OtZFhcEujCNs+9APZkwIokTr2fq1T4i2FPdKyPyDQOrznV9cdu+AUnSn4PHEzUmAZKh37q9UNRexjQEKBMU3Xiag9Bk1SKJzkW7HBCMQQ+thMaAA+mvZ4mn/Cj2IDFPIINZeKT0X8vTEG35iR7yWTPtDAzHqp+J/XjKl31h7LIIoJA5EeIqlwesgILZNikHelRiJIkyOXAReggQi15CBEIsZJU/mkD3f2+3lSKxVdp+jenBTK51kzOXbADtkxc9kpK7NLVmFVJtgDe2LP7MV6tF6tN+v9Z3TBynb22B9YH983HpoX</latexit><latexit sha1_base64="Cv2aDJYrmxhQl+sSMfDADzBK3KA=">AAACCnicbVDLSgNBEJz1GeNrVfDiZTAInsJuENRbwIsnjWAekITQO+kkQ2YfzPQqIeYP/AqvevImXv0JD/6Lu3EPmlinoqqbri4vUtKQ43xaC4tLyyurubX8+sbm1ra9s1szYawFVkWoQt3wwKCSAVZJksJGpBF8T2HdG16kfv0OtZFhcEujCNs+9APZkwIokTr2fq1T4i2FPdKyPyDQOrznV9cdu+AUnSn4PHEzUmAZKh37q9UNRexjQEKBMU3Xiag9Bk1SKJzkW7HBCMQQ+thMaAA+mvZ4mn/Cj2IDFPIINZeKT0X8vTEG35iR7yWTPtDAzHqp+J/XjKl31h7LIIoJA5EeIqlwesgILZNikHelRiJIkyOXAReggQi15CBEIsZJU/mkD3f2+3lSKxVdp+jenBTK51kzOXbADtkxc9kpK7NLVmFVJtgDe2LP7MV6tF6tN+v9Z3TBynb22B9YH983HpoX</latexit><latexit sha1_base64="Cv2aDJYrmxhQl+sSMfDADzBK3KA=">AAACCnicbVDLSgNBEJz1GeNrVfDiZTAInsJuENRbwIsnjWAekITQO+kkQ2YfzPQqIeYP/AqvevImXv0JD/6Lu3EPmlinoqqbri4vUtKQ43xaC4tLyyurubX8+sbm1ra9s1szYawFVkWoQt3wwKCSAVZJksJGpBF8T2HdG16kfv0OtZFhcEujCNs+9APZkwIokTr2fq1T4i2FPdKyPyDQOrznV9cdu+AUnSn4PHEzUmAZKh37q9UNRexjQEKBMU3Xiag9Bk1SKJzkW7HBCMQQ+thMaAA+mvZ4mn/Cj2IDFPIINZeKT0X8vTEG35iR7yWTPtDAzHqp+J/XjKl31h7LIIoJA5EeIqlwesgILZNikHelRiJIkyOXAReggQi15CBEIsZJU/mkD3f2+3lSKxVdp+jenBTK51kzOXbADtkxc9kpK7NLVmFVJtgDe2LP7MV6tF6tN+v9Z3TBynb22B9YH983HpoX</latexit>
V3 ! NO<latexit sha1_base64="4HRKZ+d70/RfEtEr6JUiPSlt3Ck=">AAACCHicbVC7TsNAEDzzDOEVHh3NiQiJKrIBCegi0VBBkMhDSqJofdkkp5wfuluDgpUf4CtooaJDtPwFBf+CY1xAwlSjmV3t7LihkoZs+9Oam19YXFrOreRX19Y3Ngtb2zUTRFpgVQQq0A0XDCrpY5UkKWyEGsFzFdbd4cXEr9+hNjLwb2kUYtuDvi97UgAlUqewW+sc85aW/QGB1sE951fXvFMo2iU7BZ8lTkaKLEOlU/hqdQMReeiTUGBM07FDasegSQqF43wrMhiCGEIfmwn1wUPTjtP0Y34QGaCAh6i5VDwV8fdGDJ4xI89NJj2ggZn2JuJ/XjOi3lk7ln4YEfpicoikwvSQEVomtSDvSo1EMEmOXPpcgAYi1JKDEIkYJT3lkz6c6e9nSe2o5Ngl5+akWD7PmsmxPbbPDpnDTlmZXbIKqzLBHtgTe2Yv1qP1ar1Z7z+jc1a2s8P+wPr4BqdImJk=</latexit><latexit sha1_base64="4HRKZ+d70/RfEtEr6JUiPSlt3Ck=">AAACCHicbVC7TsNAEDzzDOEVHh3NiQiJKrIBCegi0VBBkMhDSqJofdkkp5wfuluDgpUf4CtooaJDtPwFBf+CY1xAwlSjmV3t7LihkoZs+9Oam19YXFrOreRX19Y3Ngtb2zUTRFpgVQQq0A0XDCrpY5UkKWyEGsFzFdbd4cXEr9+hNjLwb2kUYtuDvi97UgAlUqewW+sc85aW/QGB1sE951fXvFMo2iU7BZ8lTkaKLEOlU/hqdQMReeiTUGBM07FDasegSQqF43wrMhiCGEIfmwn1wUPTjtP0Y34QGaCAh6i5VDwV8fdGDJ4xI89NJj2ggZn2JuJ/XjOi3lk7ln4YEfpicoikwvSQEVomtSDvSo1EMEmOXPpcgAYi1JKDEIkYJT3lkz6c6e9nSe2o5Ngl5+akWD7PmsmxPbbPDpnDTlmZXbIKqzLBHtgTe2Yv1qP1ar1Z7z+jc1a2s8P+wPr4BqdImJk=</latexit><latexit sha1_base64="4HRKZ+d70/RfEtEr6JUiPSlt3Ck=">AAACCHicbVC7TsNAEDzzDOEVHh3NiQiJKrIBCegi0VBBkMhDSqJofdkkp5wfuluDgpUf4CtooaJDtPwFBf+CY1xAwlSjmV3t7LihkoZs+9Oam19YXFrOreRX19Y3Ngtb2zUTRFpgVQQq0A0XDCrpY5UkKWyEGsFzFdbd4cXEr9+hNjLwb2kUYtuDvi97UgAlUqewW+sc85aW/QGB1sE951fXvFMo2iU7BZ8lTkaKLEOlU/hqdQMReeiTUGBM07FDasegSQqF43wrMhiCGEIfmwn1wUPTjtP0Y34QGaCAh6i5VDwV8fdGDJ4xI89NJj2ggZn2JuJ/XjOi3lk7ln4YEfpicoikwvSQEVomtSDvSo1EMEmOXPpcgAYi1JKDEIkYJT3lkz6c6e9nSe2o5Ngl5+akWD7PmsmxPbbPDpnDTlmZXbIKqzLBHtgTe2Yv1qP1ar1Z7z+jc1a2s8P+wPr4BqdImJk=</latexit><latexit sha1_base64="4HRKZ+d70/RfEtEr6JUiPSlt3Ck=">AAACCHicbVC7TsNAEDzzDOEVHh3NiQiJKrIBCegi0VBBkMhDSqJofdkkp5wfuluDgpUf4CtooaJDtPwFBf+CY1xAwlSjmV3t7LihkoZs+9Oam19YXFrOreRX19Y3Ngtb2zUTRFpgVQQq0A0XDCrpY5UkKWyEGsFzFdbd4cXEr9+hNjLwb2kUYtuDvi97UgAlUqewW+sc85aW/QGB1sE951fXvFMo2iU7BZ8lTkaKLEOlU/hqdQMReeiTUGBM07FDasegSQqF43wrMhiCGEIfmwn1wUPTjtP0Y34QGaCAh6i5VDwV8fdGDJ4xI89NJj2ggZn2JuJ/XjOi3lk7ln4YEfpicoikwvSQEVomtSDvSo1EMEmOXPpcgAYi1JKDEIkYJT3lkz6c6e9nSe2o5Ngl5+akWD7PmsmxPbbPDpnDTlmZXbIKqzLBHtgTe2Yv1qP1ar1Z7z+jc1a2s8P+wPr4BqdImJk=</latexit>
V3 ! V2<latexit sha1_base64="3mW01tIdYDBCxgSR2FA6j9a1Wwg=">AAACCHicbVDLTgJBEJzFF+Jrfdy8TCQmnsgumqg3Ei8eMZFHAptN79DAhNlHZno1SPgBv8KrnrwZr/6FB//FBTkoWKdKVXe6uoJESUOO82nllpZXVtfy64WNza3tHXt3r27iVAusiVjFuhmAQSUjrJEkhc1EI4SBwkYwuJr4jTvURsbRLQ0T9ELoRbIrBVAm+fZB3T/lbS17fQKt43vO637Zt4tOyZmCLxJ3Ropshqpvf7U7sUhDjEgoMKblOgl5I9AkhcJxoZ0aTEAMoIetjEYQovFG0/RjfpwaoJgnqLlUfCri740RhMYMwyCbDIH6Zt6biP95rZS6F95IRklKGInJIZIKp4eM0DKrBXlHaiSCSXLkMuICNBChlhyEyMQ066mQ9eHOf79I6uWS65Tcm7Ni5XLWTJ4dsiN2wlx2zirsmlVZjQn2wJ7YM3uxHq1X6816/xnNWbOdffYH1sc36N6Yww==</latexit><latexit sha1_base64="3mW01tIdYDBCxgSR2FA6j9a1Wwg=">AAACCHicbVDLTgJBEJzFF+Jrfdy8TCQmnsgumqg3Ei8eMZFHAptN79DAhNlHZno1SPgBv8KrnrwZr/6FB//FBTkoWKdKVXe6uoJESUOO82nllpZXVtfy64WNza3tHXt3r27iVAusiVjFuhmAQSUjrJEkhc1EI4SBwkYwuJr4jTvURsbRLQ0T9ELoRbIrBVAm+fZB3T/lbS17fQKt43vO637Zt4tOyZmCLxJ3Ropshqpvf7U7sUhDjEgoMKblOgl5I9AkhcJxoZ0aTEAMoIetjEYQovFG0/RjfpwaoJgnqLlUfCri740RhMYMwyCbDIH6Zt6biP95rZS6F95IRklKGInJIZIKp4eM0DKrBXlHaiSCSXLkMuICNBChlhyEyMQ066mQ9eHOf79I6uWS65Tcm7Ni5XLWTJ4dsiN2wlx2zirsmlVZjQn2wJ7YM3uxHq1X6816/xnNWbOdffYH1sc36N6Yww==</latexit><latexit sha1_base64="3mW01tIdYDBCxgSR2FA6j9a1Wwg=">AAACCHicbVDLTgJBEJzFF+Jrfdy8TCQmnsgumqg3Ei8eMZFHAptN79DAhNlHZno1SPgBv8KrnrwZr/6FB//FBTkoWKdKVXe6uoJESUOO82nllpZXVtfy64WNza3tHXt3r27iVAusiVjFuhmAQSUjrJEkhc1EI4SBwkYwuJr4jTvURsbRLQ0T9ELoRbIrBVAm+fZB3T/lbS17fQKt43vO637Zt4tOyZmCLxJ3Ropshqpvf7U7sUhDjEgoMKblOgl5I9AkhcJxoZ0aTEAMoIetjEYQovFG0/RjfpwaoJgnqLlUfCri740RhMYMwyCbDIH6Zt6biP95rZS6F95IRklKGInJIZIKp4eM0DKrBXlHaiSCSXLkMuICNBChlhyEyMQ066mQ9eHOf79I6uWS65Tcm7Ni5XLWTJ4dsiN2wlx2zirsmlVZjQn2wJ7YM3uxHq1X6816/xnNWbOdffYH1sc36N6Yww==</latexit><latexit sha1_base64="3mW01tIdYDBCxgSR2FA6j9a1Wwg=">AAACCHicbVDLTgJBEJzFF+Jrfdy8TCQmnsgumqg3Ei8eMZFHAptN79DAhNlHZno1SPgBv8KrnrwZr/6FB//FBTkoWKdKVXe6uoJESUOO82nllpZXVtfy64WNza3tHXt3r27iVAusiVjFuhmAQSUjrJEkhc1EI4SBwkYwuJr4jTvURsbRLQ0T9ELoRbIrBVAm+fZB3T/lbS17fQKt43vO637Zt4tOyZmCLxJ3Ropshqpvf7U7sUhDjEgoMKblOgl5I9AkhcJxoZ0aTEAMoIetjEYQovFG0/RjfpwaoJgnqLlUfCri740RhMYMwyCbDIH6Zt6biP95rZS6F95IRklKGInJIZIKp4eM0DKrBXlHaiSCSXLkMuICNBChlhyEyMQ066mQ9eHOf79I6uWS65Tcm7Ni5XLWTJ4dsiN2wlx2zirsmlVZjQn2wJ7YM3uxHq1X6816/xnNWbOdffYH1sc36N6Yww==</latexit>
(6)
(7)
(8)
Virtual - mechanism
Detailed chemistry
Flame Front / Fast NO formation
�19
Virtual sub-mechanism for NO predictionValidation of the results :
�20
Virtual sub-mechanism for NO prediction
Validation of the results :Post Flame / Slow
NO formation
Virtual - mechanism
Detailed chemistry
Geometry of the Preccinsta burner (Moureau et al., Combust. Flame, 2011)
• Test non adiabatic virtual chemistry in a 3-D LES turbulent calculation• Turbulent premixed swirled burner (Meier et al., Combust. Flame, 2007)
�21
Δ=1.6Δ0Δ=1.6Δ0
• Previous numerical works reproduce fairly well flow dynamics as well as the mean flame front position
B. Franzelli, E. Riber, L. Y. Gicquel, T. Poinsot, Combust. Flame 159 (2012) 621–637S. Roux, G. Lartigue, T. Poinsot, U. Meier, C. Bérat, Combust. Flame 141 (2005) 40–54V. Moureau, P. Domingo, L. Vervisch, Combust. Flame 158 (2011) 1340–1357B. Fiorina, R. Vicquelin, P. Auzillon, N. Darabiha, O. Gicquel, D. Veynante, Combust. Flame 157 (2010) 465–475 R. Mercier, V. Moureau, D. Veynante, B. Fiorina, Proc. Combust. Inst. 35 (2015) 1359–1366 P. S. Volpiani, T. Schmitt, D. Veynante, Combust. Flame 180 (2017) 124–135 .
LES of a non-adiabatic turbulent premixed flame (Preccinsta burner)
• But problems for Temperature and CO prediction in the ORZ, attributed to chamber wall heat losses
Wall heat losses
Numerical set-up:
�22
•Wall temperature profile not experimentally provided
•Wall Dirichlet boundary conditions provided by CORIA group (P.Benard et al. , 2018) by numerical simulation conducted with a reference 17 species skeletal scheme (Sankaran et al. 2007)
LES of a non-adiabatic turbulent premixed flame (Preccinsta burner)
• YALES2 Solver (CORIA V. Moureau et al. 2011)
• Combustion chemistry modeled using non adiabatic virtual mechanisms (two-step main mechanism and the CO dedicated sub-mechanism )
@⇢fYk
@t+
@
@xi
⇣⇢ euifYk
⌘=
@
@xi
F ⌅�
µ
Sc+ (1� S)
µt
Sct
�@fYk
@xi
!+
⌅�
Ff!k
• Sub-grid flame wrinkling (Charlette et al., 2002) with β=0.5.
• Flame sensor based on virtual species source term. (Cailler et al. 2017)
• Turbulence/Flame interaction: Thickened Flame model for LES (Colin et al., 2000)
�23
LES of a non-adiabatic turbulent premixed flame (Preccinsta burner)
➡ Simulation results : Instantaneous Heat release rateAdiabatic Coarse 2.7M nodes
1e+9 2e+90.000e+00 2.500e+09
5 10 15 20 25 30r[mm]
500
1000
1500
2000
mea
ne T
[K]
Z = 6mm
5 10 15 20 25 30r[mm]
Z = 30mm
5 10 15 20 25 30r[mm]
0.000
0.006
0.012
0.018
0.024m
ean
g Y CO
[�]
Z = 6mm
5 10 15 20 25 30r[mm]
Z = 30mm
Simulation results : Temperature / CO Reynolds statistics
�24
A-COARSE
EXP
LES of a non-adiabatic turbulent premixed flame (Preccinsta burner)
�25
N-Adiabatic Coarse 2.7M nodes
1e+9 2e+90.000e+00 2.500e+09
LES of a non-adiabatic turbulent premixed flame (Preccinsta burner)
➡ Simulation results : Instantaneous Heat release rateAdiabatic Coarse 2.7M nodes
1e+9 2e+90.000e+00 2.500e+09
5 10 15 20 25 30r[mm]
500
1000
1500
2000
mea
ne T
[K]
Z = 6mm
5 10 15 20 25 30r[mm]
Z = 30mm
NA-COARSE
A-COARSE
EXP
5 10 15 20 25 30r[mm]
0.000
0.006
0.012
0.018
0.024m
ean
g Y CO
[�]
Z = 6mm
5 10 15 20 25 30r[mm]
Z = 30mm
�26
LES of a non-adiabatic turbulent premixed flame (Preccinsta burner)
Simulation results : Temperature / CO Reynolds statistics
Transition from a M shape flame toward V shape flame due to heat losses and flame resolution improvement
➡ Simulation results : Instantaneous Heat release rate
�27
Adiabatic Coarse 2.7M nodes N-Adiabatic Fine 20.9M nodes
1e+9 2e+90.000e+00 2.500e+09
N-Adiabatic Coarse 2.7M nodes
1e+9 2e+90.000e+00 2.500e+091e+9 2e+90.000e+00 2.500e+09
LES of a non-adiabatic turbulent premixed flame (Preccinsta burner)
➡ Simulation results : Instantaneous CO filtered mass fraction
�28
0.01 0.02 0.030.000 0.040YCO
0.01 0.02 0.030.000 0.040YCO
0.01 0.02 0.030.000 0.040YCO
Adiabatic Coarse 2.7M nodes N-Adiabatic Coarse 2.7M nodes N-Adiabatic Fine 20.9M nodes
• CO formation impacted by heat losses on the external branch of the flame
• CO is sensitive to mesh resolution.
LES of a non-adiabatic turbulent premixed flame (Preccinsta burner)
5 10 15 20 25 30r[mm]
500
1000
1500
2000
mea
ne T
[K]
Z = 6mm
5 10 15 20 25 30r[mm]
Z = 30mm
NA- FINE
A-COARSE
EXP
NA-COARSE
5 10 15 20 25 30r[mm]
0.000
0.006
0.012
0.018
0.024
mea
ng Y C
O[�
]
Z = 6mm
5 10 15 20 25 30r[mm]
Z = 30mm
�29
LES of a non-adiabatic turbulent premixed flame (Preccinsta burner)
Simulation results : Temperature / CO Reynolds statistics
NA- FINE
A-COARSE
EXP
NA-COARSE
5 10 15 20 25 30r[mm]
0.000
0.006
0.012
0.018
0.024
mea
ng Y C
O[�
]
Z = 6mm
5 10 15 20 25 30r[mm]
Z = 30mm
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CO-prediction impacted by the turbulent combustion model (Preccinsta burner)
Benard, P., Lartigue, G., Moureau, V., and Mercier R., Large-Eddy Simulation of the lean-premixed PRECCINSTA burner with wall heat losses Proceedings of the Combustion Institute, 2018.
R. Mercier, C. Mehl, B. Fiorina and V. Moureau. Filtered Wrinkled Flamelets model for Large-Eddy Simulation of turbulent premixed combustion, Submitted to Combustion and Flame(2018).
• Combined effect of Thickening factor and Efficiency function on intermediate filtered species prediction (for example CO)
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Conclusion
• Reduced combustion chemistry model that allows pollutants prediction (CO / NO)
• The size of the virtual chemistry mechanisms does not change if the complexity of the system increases:
• heat losses
• multiple flame regimes
• different fuels
• Virtual chemistry validated in the LES context including heat losses
• Mis-prediction of CO attributed to the turbulent combustion model
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Thank you for your attention
This%project%has%received%funding%from%the%European%Union’s%Horizon%2020%research%and%innova<on%program%under%the%Marie%SklodowskaBCurie%grant%agreement%No%643134.%
• This work was granted access to the HPC resources of CINES under the allocations A0012B00164 and A0032B10253 made available by GENCI (Grand Equipement National de Calcul Intensif )