Modeling Compression Ignition Engines

@ ICE Group - PoliMi

Gianluca D’Errico, Angelo Onorati, Tommaso Lucchini

Internal Combustion Engine Group, Politecnico di Milano, Department of Energy

www.engines.polimi.it
Topics 2

• ICE Group presentation

• Lib-ICE code based on the OpenFOAM technology
 Why OpenFOAM
• Modeling compression ignition engines:
 Pre-processing and mesh generation
 Spray
 Combustion (including pollutant emissions)
• CI combustion simulation results
 Constant-volume vessel
 Diesel engines
 DME and other alternative fuels

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ICE Group @ Energy Department 3

Energy Department ICE Group

• Multi-disciplinary skills in the
energy field;
• 87 professors
• 105 researchers and post-docs
• 160 PhD students
• Fundamental and applied research on
thermal and fluid-dynamics modeling of
energy conversion components
 IC engines
 Fluid Machines
 Electrification
 Fuel-cells
• 5 professors, 2 assistant professors, 6 PhD
students;
• 2-3 visiting Phd students from European
Universities;
• More than 250 publications in peer-review
journals and international conferences;

• Granted as Excellence • Co-founders of the Innovative Spin-off

Department in 2018 by MUR company Sursum-Mi

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CFD modeling of IC engines @ ICEGroup 4

Fundamental Applied
studies research

Development Validation

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Collaborations and research projects 5

Industrial collaborations EU Projects Academic collaborations

• TU-Darmstadt
• CMT Motores Termicos
• Ghent University
• University of Orleans
• CNR-STEMS
• Università dell’Aquila
• TU-Eindhoven
• University of Minnesota

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In-house numerical simulation codes 6

Numerical modeling of IC engines, fluid machines and power systems

Lib

Solid

Oil

Coolant

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Gasdyn 7

1D simulation code: GASDYN

1D thermo-fluid dynamic code developed at PoliMi during the last 30 years.

Currently licenced and supported by our spin-off Sursum-Mi

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Gasdyn 8

Intake and exhaust Spark ignition • Two-zone approach with burnt gas stratification
• NOx, CO and HC models
• Fundamental equations in strong • Knock model with two-step approach and based on
conservative form for 1D, unsteady, tabulation of detailed chemistry for all fuels available
reacting flows in engine ducts • Predictive flame area combustion models including
∂W( x , t ) ∂F( W ) effects of fuel type and turbulence:
+ + B( W ) + C( W ) = 0
∂t ∂x St = u '0.75 SuL0.5Li 0.25ku −0.25
 ρF   ρuF   0   0  • Multi fuel approach: E5, E10, E85, CNG, LPG, H2,
 ρuF  ρu 2 F + pF   dF   
     −p  ρGF Ethanol, Methanol, user defined fuel.
W( x , t ) = F( W ) = B( W ) = dx C( W ) =  
ρe0 F   ρuh0 F   0  − ρ( q + q react )F 
     
 ρYF   ρuYF   0   ρY F 
 
Compression ignition
• Reactions of species in the flow (TWC, • Constant equivalence ratio multizone model for
SCR) mixing process and tabulated detailed
• 1D-3D coupling chemistry for the ignition delay (from fuel
injection parameters)
• NOx thermal model within multi-zone
• Multi fuel approach: Diesel oil, Ammonia, DME

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Why OpenFOAM? 9

Ready to be used CFD code Object-oriented

 Applications and model state  Easy implementation of new
of the art available for generic models (classes) and solvers
CFD  Generic programming
 heat transfer, aerodynamics,
compressible/incompressible flows,
multi-phase…
 Automatic polyhedral mesh
generation

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Why OpenFOAM for the engines of the future? 10

Future engine research:

- New fuels: kinetics + new combustion models
- Maximize efficiency and reduce pollutants: predictive models
- Advanced engine concepts: accurate numerics and physical modeling

OpenFOAM:
- New model development is relatively easy
- Fast adaptation/combination of existing approaches to takle new combustion
systems or fuel
- Development of new combustion, spray and mesh management models
- Fully integrated methodology for model assesment, validation and application to
academic and real cases, very important in a transition time.

www.engines.polimi.it
LibICE 11

Lib
Modeling IC Engines using the OpenFOAM technology
In-cylinder Intake/exhaust
• Gas exchange • 1D-3D coupling (Gasdyn+OpenFOAM Applications
• Fuel air mixing (Direct-injection, PFI, coupling) • design/development
liquid, gas) • Exhaust aftertreatment system: SCR, • investigation of complex process in IC
• Combustion (spark-ignition, Three-way catalyst, DPF, GPF, ... engines: reactive, turbulent,
compression-ignition, HCCI, PCCI, compressible and multiphase flows
RCCI, ...)

Why OpenFOAM?
Advanced models required by the
Potential for development Simulation methods
engines of the future

www.engines.polimi.it
OpenFOAM for IC engines: in-cylinder activities 12

Spray

Mesh management
Mesh deformation, piston and
valve motion, topological changes,
4-stroke and 2-stroke engines
turbulence-chemistry interaction,
Atomization, evaporation,
break-up, impingement,
wall-film
Combustion modeling
CI and SI Combustion, kinetics,
flame propagation, ignition

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Compression-ignition engine modeling methodology 13

20 years’ experience in model developments and applications

Engine CAD
data

Nozzle Combustion
flow models

Automatic
mesh
Spray
generation
Mesh models
Cold flow
handling

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Diesel combustion modeling: mesh generation 14

Input data: A pyhton program automatically recognizes the points on the STL
• Piston bowl points and does the morphing of a template blockMesh to the geometry
• Injection angle

Fully-hexaedral
spray-oriented
mesh
Lucchini, T., Della Torre, A., D'Errico, G., Montenegro, G., Fiocco, M., Maghbouli, A. Automatic Mesh Generation for CFD Simulations of Direct-Injection
Engines (2015) SAE Technical Papers, 2015

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Automatic mesh generation – spray oriented 16

Mesh generator pre-processor works on sector and full chamber

Possibility to include many chamber geometry details in full meshes: glow plug, valve
recess, wave piston, ....
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Gas exchange and fuel-air mixing 17

Application: Darmstadt optical engine simulation

• 1.28 Mio cells @ TDC • Hex-dominated mesh  Reduced numerical diffusion
• Min. valve lift 0.5 mm
Intake valve refined
 Capture flow
detachment

1.0 mm cell size

0.5 mm at injection

Crevice models [1]

Pati, A., Paredi, D., Lucchini, T., Hasse, C., CFD Modeling of Gas-Fuel Interaction and Mixture Formation in a Gasoline Direct-Injection Engine Coupled with the
ECN Spray G Injector (2020) SAE Technical Papers

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Gas exchange and fuel-air mixing 18

Application: Darmstadt optical engine simulation

Large amount of available
optical data for CFD model
validation

Pati, A., Paredi, D., Lucchini, T., Hasse, C., CFD Modeling of Gas-Fuel Interaction and Mixture Formation in a Gasoline Direct-Injection Engine Coupled with the
ECN Spray G Injector (2020) SAE Technical Papers

www.engines.polimi.it
Hydrogen, Direct-injection engine 19

Fuel molar fraction distribution Velocity field

Experimental CFD

620 62
0

65
650 0

68
680 0

J. Peron, CFD modeling of gas exchange and mixture formation in spark-ignition engines, ICE-Group MSc Thesis, 2020

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Lib-ICE : spray modeling 21

Development and implementation of the state-of-art models:

• Lagrangian approach
• Injection: blob (nozzle diameter) or Rosin Rammler droplet size
distribution, imposed semi-angle;
• Breakup: KHRT (with Blob), Reitz-Diwakar or Pilch-Erdman with
droplet PDF;
• Evaporation: based on Spalding number, multi-component fuels
supported;
• Impingement model: rebound or stick;
• Turbulent dispersion: stochastic or gradient-based.

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Spray modeling: Diesel 22

2d computational mesh Spray model setup Baseline (pinj = 150 MPa; Tamb = 900 K; ρamb= 22.8 kg/m3)
Injection: blob
0.16
• z = 22.5 mm

Breakup: KHRT
Exp
•

Mixture Fraction [-]

0.12

Evaporation: Spalding
PoliMI
• 0.08
Vapor
CFD setup Liquid
z = 45 mm

Turbulence model:
0.04
•
standard k-ε with 0.00
0.0 5.0 10.0

modified C1 Distance from axis [mm]

Parametric variations (Tamb, ρamb)

108 mm

Test conditions
24
Dashed: exp Experimental

Average Liquid Length [mm]

Continuous: calc. 20
Computed
• Fuel n-dodecane 16

• Nozzle diameter: 90 µm 12

pinj: 50-150 MPa

8
•
4

• Tamb: 700-1200 K 0
700 800 900 1000 1100
• ρamb : 7.6 – 22.8 kg/m3 Ambient Temperature [K]

T. Lucchini, G. D’Errico: In-cylinder flows and combustion modeling: application and validation to real and engine-like configurations (2015)

www.engines.polimi.it
Spray modeling: Diesel Heavy Duty 23

TU/e optical vessel CFD Setup Validation

3D mesh • Liquid: exp vs computed extinction
(a) (b) profiles

• Liquid penetration: DBI

• Vapor penetration: Schlieren
Operating conditions
• Nozzle diameter: 0.205 mm
• Ambient temperature: 900 K
ANR C1
• Consistent with the engine grid in
size and structure
Spray
• Huh-Gosman atomization
C2 • Pilch-Erdman breakup

Pinj [MPa] 150 80 150 Turbulence modeling • Vapor: exp (Schlieren), calc. (mixture
• k-ε with modified C1 fraction threshold)
ρamb [kg/m3] 22.8 40 40
Maes, N et al. Experimental and Numerical Analyses of Liquid and Spray Penetration under Heavy-Duty Diesel Engine Conditions (2016) SAE
International Journal of Fuels and Lubricants, 9 (1), pp. 108-124. Awarded with John Johnson Award at SAE 2017

www.engines.polimi.it
Lib-ICE : combustion models for CI engines 24

Detailed kinetics - WSR Detailed kinetics - RIF Tabulated kinetics - CI

~  ~  ~ 
CFD T (x ) H ( x ) = ∑ hi ⋅ Yi ( x )
Similar to SAGE CFD
domain ~ 
H (x ) solver
No turbulence-chemistry
~  
interaction Z (x ), Z ''2 ( x ) N 1
Yi = ∑ M j ∫ Y j ,i (η ) ⋅ p(η )dη
f
~ ~

Suitable for CI combustion Mj j =1 Z =0

using singe or multiple fuels Lookup-

(diesel-methanol, diesel-
ammonia, ...)
Acceleration of chemistry
integration thanks to:
 Dynamic load balancing
 Analytical pre-computed
jacobian
 Lapack library
Y j ,i (Z , t )
~
Flamelets Table
χ~st , j , p
Reaction rates stored in a
Conventional CI combustion look-up table
(single fuel + 1 or more Possibility to consider very
injections) detailed mechanisms
Integration of TCI + detailed Multiple flame structures can
kinetics be included in the table (WSR,
Extensively validated laminar flamelets, ...)
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Lib-ICE : pollutant emissions 25

Detailed kinetics - WSR Detailed kinetics - RIF Tabulated kinetics - CI

CO: directly from the CO: from lookup table

NOx and CO: integrated flamelet NOx : transport
in the mechanism NOx : from flamelet or equation with tabulated
transport equation reaction rates

Soot : Leung, Lindsted and Jones Model. Two transport equations solved for particle number
density Np and soot volume fraction fv accounting for inception, coagulation, surface growth and
oxidation:

𝜔𝜔̇ 𝑁𝑁𝑝𝑝 = 𝜔𝜔̇ 𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖 − 𝜔𝜔̇ 𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐

𝜔𝜔̇ 𝑓𝑓𝑣𝑣 = 𝜔𝜔̇ 𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖 + 𝜔𝜔̇ 𝑠𝑠𝑠𝑠𝑠𝑠𝑠𝑠𝑠𝑠𝑠𝑠𝑠𝑠 𝑔𝑔𝑔𝑔𝑔𝑔𝑔𝑔𝑔𝑔𝑔 − 𝜔𝜔̇ 𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜.,𝑂𝑂2 − 𝜔𝜔̇ 𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜.,𝑂𝑂𝑂𝑂

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 Validation – Heavy Duty Engine – RIF Model 26
Maximum cylinder pressure Gross indicated work
HD Diesel Engine
250 1.2

g.i. workcalc / g.i. workmax,exp

1

[bar] [J]
1 200

P EVO
0.8
150

max,calc
0.6
16 operating

Cumulative Heat Released at

bmep/bmepmax

100
0.4
points 50
0.2
considered
0 0
0 50 100 150 200 250 0 0.5 1
Pmax,exp [bar] g.i. workexp / g.i. workmax,exp

0 NOx emissions CO emissions

600 Engine speed [rpm] 2200 1.2 0.8

0.7
1
0.6

NOx,calc / NOx,max EXP

COcalc / COmax EXP

0.8
0.5

0.6 0.4

Mesh generated 0.4 𝒎̇𝒊𝒏𝒋 ⋅ 𝑳𝑯𝑽0.3 [J]

Model 1 0.2
with POLIMI GUI 0.2 Model 2
0.1

0 0
0 0.5 1 1.5 0 0.5 1 1.5
NOx EXP/ NOx,max EXP COEXP/ COmax EXP

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Validation – Light Duty Engine – Tabulated kinetics 27

Bore 96 mm
Selected operating points Swirl ratio 1.3
Stroke 104 mm
# holes 8
Compression ratio 18
1.2 Nozzle hole diameter 140 μm
IVC -145 deg
6 EVO 110 deg Homologation EU6
0.9
bmep/bmepmax

8 Name [rpm] load λ EGR #inj

4
0.6 1 HEGR 1400 12% 2.7 40% 3
2 5 2 1400x50 1400 50% 1.4 15% 3

0.3 7 3 A25 2000 25% 2.1 20% 3

3
1 4 A75 2000 75% 1.3 15% 3

0 5 B50 2750 50% 1.4 15% 3

1000 2000 3000 4000
6 B100 2750 100% 1.3 5% 2
Engine speed [rpm]
7 C40 3500 40% 2.3 10% 3
8 C100 3500 100% 1.5 0% 1

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Validation – Light Duty Engine – Tabulated kinetics 28

Simulation setup Tabulation

600, 650, 700, 750, 800, 850,
Mesh Temperature [K] 900, 950, 1000, 1100, 1200,
1300
• 1/8 of the combustion
Pressure [bar] 30, 70, 110, 150, 200
chamber
0, 0.4, 0.5, 0.6, 0.7, 0.75, 0.8,
• Automatically 0.85, 0.9, 0.95, 1, 1.05, 1.1,
Equivalence ratio 1.15, 1.2, 1.25, 1.3, 1.35, 1.4,
generated with the 1.5, 1.6, 1.7, 1.8, 1.9, 2, 3
Python Polimi pre-
Mixture fraction 0.0, 0.001 0.0025, 0.01, 0.025,
processor
segregation 0.1 1.0

• Spray-oriented Scalar dissipation

• 250000 cells at IVC
• 40000 cells at TDC
0, 1, 3, 7, 20, 55
rate χst [1/s]
• TPPDF, TRIF, TFPV models
 TCI included
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Validation – Light Duty Engine – Tabulated kinetics 29

1.2

6
• B50 0.9

bmep/bmepmax
• 50% load 8
4
• 3 injections 0.6
2 5
• 15% EGR
0.3 7
3
1
0
1000 2000 3000 4000

Engine speed [rpm]

• Similar heat release rate during

main combustion
• Ignition delay:
 TFPV ignites earlier than TRIF
and TPPF during second and
main injection events.
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Validation – Light Duty Engine – Tabulated kinetics 30

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Validation – Light Duty Engine – Tabulated kinetics 31

Calc. NOx/ NOx MAX C100 [-]

NOx/ NOx MAX C100 [-]

Exp. NOx/ NOx MAX C100 [-]

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Validation – Heavy-Duty Engine – Flame Wall Interaction 32

Combined effects of mesh and turbulence model

O-Bowl : 𝒌𝒌 − 𝝎𝝎 significantly
better in describing the flame-wall
interaction process at high load

Zhou, Q., Lucchini, T., D’Errico, G., Hardy, G., Lu, X., Modeling heavy-duty diesel engines using tabulated kinetics in a wide range of operating conditions
(2020) International Journal of Engine Research

www.engines.polimi.it
Validation – Heavy-Duty Engine – Validation 33

HD Diesel Engine: extensive validation of RIF and TFPV models in a wide range
of conditions with 𝒌𝒌 − 𝝎𝝎 − 𝑺𝑺𝑺𝑺𝑺𝑺 model

Zhou, Q., Lucchini, T., D’Errico, G., Hardy, G., Lu, X., Modeling heavy-duty diesel engines using tabulated kinetics in a wide range of operating conditions
(2020) International Journal of Engine Research

www.engines.polimi.it
Validation – Heavy-Duty Engine – Turbulence model 34

HD Diesel Engine: extensive validation of RIF and TFPV models in a wide range
of conditions with 𝒌𝒌 − 𝝎𝝎 − 𝑺𝑺𝑺𝑺𝑺𝑺 model

Zhou, Q., Lucchini, T., D’Errico, G., Hardy, G., Lu, X., Modeling heavy-duty diesel engines using tabulated kinetics in a wide range of operating conditions
(2020) International Journal of Engine Research

www.engines.polimi.it
Validation – Heavy-Duty Engine – Turbulence model 35

HD Diesel Engine: extensive validation of RIF and TFPV models in a wide range
of conditions with 𝒌𝒌 − 𝝎𝝎 − 𝑺𝑺𝑺𝑺𝑺𝑺 model

Zhou, Q., Lucchini, T., D’Errico, G., Hardy, G., Lu, X., Modeling heavy-duty diesel engines using tabulated kinetics in a wide range of operating conditions
(2020) International Journal of Engine Research

www.engines.polimi.it
Validation – Heavy-Duty Engine – Turbulence model 36

HD Diesel Engine: extensive validation of RIF and TFPV models in a wide range
of conditions with 𝒌𝒌 − 𝝎𝝎 − 𝑺𝑺𝑺𝑺𝑺𝑺 model
Prediction of combustion phasing
(peak cyl. pressure and location)

Fuel energy release maximum

error (<1%)
Zhou, Q., Lucchini, T., D’Errico, G., Hardy, G., Lu, X., Modeling heavy-duty diesel engines using tabulated kinetics in a wide range of operating conditions
(2020) International Journal of Engine Research

www.engines.polimi.it
Validation – Heavy-Duty Engine – Turbulence model 37

HD Diesel Engine: extensive validation of RIF and TFPV models in a wide range
of conditions with 𝒌𝒌 − 𝝎𝝎 − 𝑺𝑺𝑺𝑺𝑺𝑺 model

Different modeling approaches available for the prediction of NO: from flamelet domain, solution of
transport equation with source terms from flamelet domain, solution of transport equation with
source terms from cell averaged values.
Zhou, Q., Lucchini, T., D’Errico, G., Hardy, G., Lu, X., Modeling heavy-duty diesel engines using tabulated kinetics in a wide range of operating conditions
(2020) International Journal of Engine Research

www.engines.polimi.it
Validation – DME Heavy Duty Engine 38
Injection Laws
Load Points Injection rates 160
MFR and Needle Lift Profile
MFR 1200x9.8
12
Lift 1200x9.8
MFR 1350x19.5

Cruise Best BSFC - injector needle lift Lift 1350x19.5

profile measurement

Injection MFR [g/s]

8

Needle Lift [mm]

n [rpm] 1200 1200 80
- The rising ramp and
4

Load 25% 75% the maximum MFR

were assumed to be
IMEP [bar] 9.8 19.5 dependent on Pinj 0
0 0,002
0
0,004
time [s]

Spray-oriented sector mesh (1/8): automatically generated with the Polimi Python Tool

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Validation – DME Heavy Duty Engine 39

Cruise Best BFSC

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CH3OH and NH3 : renewable fuels and H2 carriers 40

Challenges for Ammonia in Two- Competences

Safety Environment
Fuel
Stroke engines Fuel type
production
Price Availability in the marine Regulation GHG NOx, PM,
industry Toxicity Flammability
Fuel production On the ship SOx, BC
Major Challenge Fossil

Good Ammonia (NH3) Bio

PtX

Dual-fuel combustion technology Simulation of dual fuel combustion in a marine

two-stroke engine using LibICE

3.5
Experimental
3
Computed

HRR/HRRmax,exp
2.5

1.5

0.5

0
-5 0 5 10 15 20 25 30
Crank Angle [deg]

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Efficiency increase: >55%
Technologies allowing efficiencies of IC engines similar to fuel-cells
Pre-chamber
• Very-lean engine operation
• Suitable for diluted H2
combustion
41
Recuperated split-cycle Free-piston
• Direct production of electricity
from piston motion
• Very reduced mechanical losses
• Flexibility:
• Up to 60% efficiency  Fuel type
• Possibility to operate it with  Operation (compression
alternative, renewable fuels ratio)
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Efficiency increase: >55% - Pre-chamber 42

CFD simulations of the turbulent jet ignition combustion and prechamber mixing
• Understanding the different phases of the combustion process
by analyzing the different combustion regimes
• Optimization of the prechamber geometry to ensure proper
prechamber mixing and optimal combustion efficiency
• Challenges: modeling premixed combustion of very lean
mixtures in a very high turbulent flow

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Lib-ICE : other CFD activities 43
IC Engine Simulations

•
Internal
CI and SI combustion chamber 1.2
Exp.
2 After treatment
optimization; Calc. Lib-ICE

AHRR/AHRRmax,exp
systems
1.5
• Mixture formation optimization; 0.8

combustion

p/pmax,exp
• Engine pre-calibration; 1

• Alternative fuels (H2, DME, 0.4

0.5
Methanol, Ammonia, CNG, LNG,...)
•
•
engines
Dual-fuel combustion;
Advanced combustion modes
0
-30 -10 10 30 50
0

(HCCI, RCCI, PCCI, ...)

Crank Angle [deg]
• Internal combustion engine simulations
• After-treatment systems
• Thermal management
• Fluid machines
• Porous media

Fluid machines machines, pumps,

Porous media
Thermal management

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Gianluca D’Errico
Department of Energy, Politecnico di Milano
Via Lambruschini, 4a, 20156 Milano, Italy
gianluca.derrico@polimi.it