Virtual chemistry for temperature and pollutant prediction in...

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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

�4

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

�5

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

[cm

.s�

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

.s�

1 ]

Validation versus the reference solution (GRI3.0)Virtual optimized chemistry: Adiabtic/Non-adiabatic conditions

➡ Laminar flame consumption speed

➡ Freely propagating

➡ Burner-stabilized

�11

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



Reference flame library★Equilibrium computations★1-D unstretched premixed flame★1-D counterflow diffusion flames★1-D non adiabatic premixed flamelets★etc…


★ Mixture properties★ Temperature★ Density★ Heat Release


CO block

NOx block

PAH block

Optimizationloop

Optimizationloop


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



Reference flame library★Equilibrium computations★1-D unstretched premixed flame★1-D counterflow diffusion flames★1-D non adiabatic premixed flamelets★etc…


★Mixture properties★ Temperature★Density★Heat Release


CO block

NOx block

PAH block

Optimizationloop

Optimizationloop


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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

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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>

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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)

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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)


• 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


➡ 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


�25

N-Adiabatic Coarse 2.7M nodes

1e+9 2e+90.000e+00 2.500e+09


➡ 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



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


➡ 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.


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

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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 )

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