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Efficient Engine CFD

with Detailed Chemistry

Harry Lehtiniemi and Rajesh Rawat

CD-adapco
Karin Fröjd and Fabian Mauss
Digital Analysis of Reaction Systems
Challenges in CFD engine modeling

• The flow is turbulent

– Turbulence modeling required
• Spray injection and evaporation occurs
– Spray modeling is required
• Autoignition, combustion, pollutant formation chemistry
– Kinetic modeling required for various fuels
– Soot, NOx models required

Efficient Engine CFD with Detailed Chemistry 2

Efficient Engine CFD with Detailed Chemistry

Problem: Multidimensional modeling of turbulent reactive flow

Turbulent flowfield Combustion

Navier-Stokes equations ?

Efficient Engine CFD with Detailed Chemistry 3

Outline

• Species transport models

– ”Laminar”
– Techniques for speed-up
– Incorporation of turbulence interactions
• Flamelet models
– Transient interactive flamelets
– Transient flamelet progress variable model

Requirements for industrial production simulations:

Efficient handling of combustion chemistry
Fully parallel flow simulation capabilities

Efficient Engine CFD with Detailed Chemistry 4

STAR-CD and DARS-CFD

Problem: Multidimensional modeling of turbulent reactive flow

Solution I:
Turbulent flowfield Combustion

Navier-Stokes equations Species transport

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DARS-CFD – STAR-CD coupling

STAR-CD:

Species Yi0
Species Yi* Transport data Dij,
, 
Enthalpy h

DARS-CFD

Efficient Engine CFD with Detailed Chemistry 6

DARS-CFD – STAR-CD coupling with DOLFA

STAR-CD:

Species Yi0
Species Yi*
Enthalpy h
Transport data Dij,
, 
DOLFA
Database DOLFA

DARS-CFD

Efficient Engine CFD with Detailed Chemistry 7

DARS-CFD – STAR-CD with turbulence interactions

Two options for considering turbulence interactions:

• Kong-Reitz model:

• User coding:
– Scaling of reaction rates
– User can modify the reaction rates for all species

Efficient Engine CFD with Detailed Chemistry 8

STAR-CD and Transient Flamelet Models

Problem: Multidimensional modeling of turbulent reactive flow

Solution II:
Turbulent flowfield Combustion

Navier-Stokes equations Flamelet modeling

- Interactive
- Transient library
Efficient Engine CFD with Detailed Chemistry 9
Basics of the flamelet model

Physical Coordinates
Mixture fraction coordinate Zi

t , x1 , x2 , x3 
, Z , Z 2 , Z 3

Flame: Surface of
Stoichiometric mixture

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Basics of the flamelet model

Flamelet transform:
Transport of a generic scalar

Def. Scalar dissipation rate

Equations in flamelet space

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 STAR-CD – TIF coupling

STAR-CD
Transport of Z, Z”2, h, I

Z, Z”2 T, Wq

Update h and
Get cell local T and Wq

Perform species pdf integration

Yi(Z)
Yi
 2Yi
TIF  = + iWi
t 2 Z 2

Efficient Engine CFD with Detailed Chemistry 12

Soot modeling with TIF

• Turbulent diffusion flame (J. B. Moss et al. 1991) test case

• Flowfield post-processed with TIF
• Detailed kinetic soot model
– Soot precursors: cyclopentapyrene and larger PAH
– Surface growth: HACA with separate ring closure
– Oxidation: O2 and OH
– Condensation and coagulation
• Particle size distribution
– Method of moments with interpolative closure (4 moments)
– Sectional method (100 sections)
F Mauss, K Netzell, and H Lehtiniemi, Combust Sci and Tech 178 (10-11) (2006) 1871-1885
K Netzell, H Lehtiniemi, and F Mauss, Proc Combust Inst 31 (2007) 667-674

Efficient Engine CFD with Detailed Chemistry 13

Soot modeling with TIF

-6 Centerline soot volume fracition

2.5 10

-6
2 10
]
: 1.5 10
-6
[
fv -6
1 10

-7
5 10

0
0 100 200 300 400
Height [mm]
F Mauss, K Netzell, and H Lehtiniemi, Combust Sci and Tech 178 (10-11) (2006) 1871-1885
K Netzell, H Lehtiniemi, and F Mauss, Proc Combust Inst 31 (2007) 667-674
Efficient Engine CFD with Detailed Chemistry 14
Soot modeling with TIF
Particle size distributions in the turbulent diffusion flame

K Netzell, H Lehtiniemi, and F Mauss, Proc Combust Inst 31 (2007) 667-674

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Transient flamelet progress variable model

• Progress variable defined using chemical enthalpy integrated over the

flamelet
 h (Yi ( Z ), )dZ
 
1 N 1 N
s

i =1 298,i
s

i =1
h298,i ,u (Yi ( Z ), 0)dZ
C= 0 0
,
 )dZ
 
1 1
h298,i ,b (Yi ( Z ), 
Ns Ns
i =1 i =1
h298,i ,u (Yi ( Z ), 0)dZ
0 0

Transport eqn for chemical enthalpy Transform to Z – C space



Z 
C 

= + +
h298 h298  2 h298 N s t Z t C t t
 +  v
D =  i hi ,298
t x x2 i =1   Z  C
= +
x
Z x
C x

Transport eqn for the progress variable

C C  2C  h298
 +  v
 D 2 =  C


t x x h298 /C t
H Lehtiniemi, F Mauss, M Balthasar and I Magnusson, Combust Sci and Tech 178 (10-11) 2006 1977-1997

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TFPV – Coupling to STAR-CD

To library Flamelet library module

CFD
EGR, p(t ), Tox ( x, t ), IdentifyFlamelet
EGR, p (t ), Tox (x, t ),

( x, t ), C
(x, t ) C ( x, t )


( x, t ), C
(x, t )

h flamelet (T
, Z )


1
Z
( x, t ), Z
2 ( x, t )   hi (T )   Yi  P
(Z ; Z
, Z
2 )dZ

Transport of  0 

C
, Z
, Z
2 , h

h
flamelet (T
)

IterateTemperature
T
(x, t ) guess , h
(x, t )
T ( x, t ) = f (T
guess ( x, t ), h
( x, t ), h
flamelet (T
))

T
( x, t )
To CFD
T
(x, t )
C (x, t )

Efficient Engine CFD with Detailed Chemistry 17

TFPV – Sample engine calculation

Swept volume 2.0 L

Compression ratio 15.3

Number of nozzle holes 6

Nozzle hole diameter 0.2 mm

Speed 1176 rpm

Fuel type Diesel

Fuel amount 74.35 mg

1.24

Start of injection 361 CA

EGR ratio 0.32

H Lehtiniemi, F Mauss, M Balthasar and I Magnusson, SAE 2005-01-3855

Efficient Engine CFD with Detailed Chemistry 18

 TFPV – Sample engine calculation

Combustion progress Pressure and rate of heat release

: P 6
[ 1 [ 4 10 700
R
s 3.5 106 600 a
e
s 0.8 r 3 106 t
e 500 e
u 6
r s2.5 10
g 0.6 s
400 o
o 2 106 f
e 300
r 0.4 r1.5 106
P P 200 h
1 106 e
0.2
___ Max 5 105 100 a
progress t
___ Mean progress
0 0 0
350 360 370 380 390 400 410 350 360 370 380 390 400 410 r
Crank angle [deg] e
Crank angle [deg]
l
H Lehtiniemi, F Mauss, M Balthasar and I Magnusson, SAE 2005-01-3855
Efficient Engine CFD with Detailed Chemistry 19
TFPV – Sample engine calculation CA 380

Temperature Mixture fraction T [K] Z [-]

2300 0.4

300 0

H Lehtiniemi, F Mauss, M Balthasar and I Magnusson, SAE 2005-01-3855

Efficient Engine CFD with Detailed Chemistry 20

TFPV – Sample engine calculation, CA 385

Temperature Mixture fraction T [K] Z [-]

2300 0.4

300 0

H Lehtiniemi, F Mauss, M Balthasar and I Magnusson, SAE 2005-01-3855

Efficient Engine CFD with Detailed Chemistry 21

TFPV – Sample engine calculation, CA 395

Temperature Mixture fraction T [K] Z [-]

2300 0.4

300 0

H Lehtiniemi, F Mauss, M Balthasar and I Magnusson, SAE 2005-01-3855

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Summary

• Strategies for efficiently incorporating detailed chemistry in

multidimensional simulations were presented:
– Direct integration of chemistry with DARS-CFD
– Flamelet approach
» Transient interactive flamelet (TIF)
» Transient flamelet progress variable model (TFPV)

• The DARS-CFD model allows for

– Turbulence interactions (Kong-Reitz) or user
– Coupling to DOLFA
– Full parallelism

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Summary

• The TIF model allows for

– Efficient treatment of chemistry

– Consistent handling of turbulence interactions

– Efficient treatment of complex soot and emission chemistry

– Fully parallel simulations

• The TFPV model allows for

– Consideration of effects of local inhomogeneities and local
variations of scalar dissipation rate on the chemistry
– Arbitrary large chemistry can be used in the tabulation without
influencing the CFD simulation CPU time
– Coupling to library based emission models

– Fully parallel simulations

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