In-cylinder flow and combustion modeling using the OpenFOAM technology

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1 Workshop "HPC enabling of OpenFOAM for CFD applications" In-cylinder flow and combustion modeling using the OpenFOAM technology T. Lucchini, G. Montenegro, G. D Errico, A. Onorati, L. Cornolti Department of Energy, Politecnico di Milano

2 Background Target for next IC engines generation: contemporary reduction of fuel consumption and pollutant emissions. Development and design focused on fuel-air mixing and combustion: GDI engines (premixed or stratified) Diesel engines (complex injection strategies) New combustion modes (HCCI, PCCI) CFD widely used for IC engines design: Development of a platform that can be used both for model implementation and engine design.

3 Topics Development of new combustion models for IC engines using the OpenFOAM technology. Lib-ICE, model development for in-cylinder flow simulations: Mesh management Fuel-air mixing Combustion Examples of application on real engine cases

4 Model implementation: Lib-ICE Libraries and solvers for IC engine simulations based on OpenFOAM technology Mesh motion for engine geometries Combustion (spark-ignition, diesel) Lagrangian sprays + liquid film Unsteady flows in intake and exhaust systems: Plenums, silencers, 1D-3D coupling Reacting flows in after-treatment devices DPF, SCR, catalyst

5 Lib-ICE code structure OpenFOAM-2.0.x Lib-ICE src Spray Thermo-physical models Combustion models Liquid film Engine mesh management Boundary conditions 1D-3D coupling solvers Cold-flow Diesel Spark-ignition Combustion Spray utilities Pre-processing Parallel-processing Post-processing Mesh-management

6 MESH MANAGEMENT

7 Full-cycle simulation XXX CA MESH 1 YYY CA 1) Multiple meshes cover the entire cycle simulation. 2) Each mesh is valid in a userspecified interval. 3) During each time-step: Grid points are moved using automatic mesh motion and/or pre-defined points motion. Mesh topology can be eventually changed YYY CA MESH 2 ZZZ CA 4) Mesh-to-mesh interpolation.

8 Full-cycle simulation Automatic mesh motion Grid points motion computed by an automatic mesh motion solver, based on the Laplace equation. x 2 u 0 new x old ut Layout for deforming mesh simulations

9 Full-cycle simulation Topological changes Reduction of the overall number of meshes. Mesh is modified according to user-defined parameters, no need to specify exactly when a specific event should take place. Dynamic mesh layering Sliding interface

10 Full-cycle simulation Topological changes: Adaptive Local Mesh Refinement Grid resolution increased to properly describe the most important physical and chemical processes and reduce grid dependency: Fuel-air mixing Combustion

11 Mesh management engine library in Lib-ICE engine enginetopochangermesh fvmotionenginemesh pistonlayerarenginemesh twostrokeenginemesh pistonrefineenginemesh multicycleenginetime Deforming grid for full-cycle simulations in four-stroke engines Compression-expansion with dynamic mesh layering Full-cycle simulation in four-stroke engines Compression-expansion with adaptive local mesh refinement

12 Full-cycle simulation Specific utilities for case set-up 1) Generation of multiple meshes 2) Definition of a template case 3) enginecasesetup utility case case0300 constant case0320 dataoutput init case0720 system case1440 5) Post-processing 4) runmulticyclecase solvername simplecoldspeciesenginedymfoam; starttimes (/* list of starttime for each mesh */); endtimes (/* list of endtimes for each mesh */); writeinterval (/* list of writeinterval for each mesh */); parallelrun on;

13 Grid imported from different tools (Gambit, ICEM- CFD, Pointwise, STAR-CD ) Full-cycle simulation Generation of engine meshes Fully automatic hexahedral mesh generation from stl file

14 Full-cycle simulation Mesh generation: new approach based on Blender Blender + snappyhexmesh: engine mesh generation exclusively based on open-source tools

15 Full-cycle simulation SANDIA Hydrogen Engine (data from ECN) Displaced volume 560 cm 3 Compression ratio 11 Intake pressure/temperature 1 bar / 36 C Engine speed 1500 rpm Motored conditions. Experimental pressure and temperature profiles imposed at intake and exhaust ports. Hydrogen injector Cylinder head Exhaust Intake Tumble plate Fixed zones Mesh validity: 15 deg each. Average cell size ranging from 300 to 600 thousand. Grid size: Cylinder: 2.5 mm Valve region: 0.75 mm Ducts: mm Laser 532/266 nm Piston Optical liner Engine block Deforming zones Turbulence model: standard k-e

16 Full-cycle simulation SANDIA Engine: velocity field comparison Exp. Calc CA (IVC: -140) The main flow features at BDC are almost preserved at this time, when the intake valve is closing.

17 Full-cycle simulation SANDIA Engine: velocity field comparison Exp. Calc. -70 CA (IVC: -140) Gas pressure now higher than ambient pressure. Still rather good agreement between computed and experimental data.

18 Full-cycle simulation Post-processing Specific utilities to estimate relevant quantities: charge motions (tumble, swirl ratio, turbulence intensity); air-fuel mixing: homogeneity index. Cylinder pressure In-cylinder charge motions IVC SOI EOI Tumble ratio Turb. Kin. energy Crank Angle [deg] 0

19 SPRAY AND WALL FILM

20 Spray model Comprehensive spray model for Diesel and GDI sprays Turbulence induced breakup Breakup transition: Weber number. Wave + Catastrophic breakup

21 Extending the capabilities of the standard OpenFOAM spray library, by introducing new models for: High pressure injection Liquid fuel atomization Droplet-wall interaction Liquid evaporation Spray model Comprehensive spray model for Diesel and GDI sprays Reducing the grid-dependency and CPU time of spray simulations: Easy development of new models. Fast tuning of existing models.

22 dieselspray Mesh management dieselspray library in Lib-ICE spray parcel Partially re-implemented Fully re-implemented spraysubmodels injectormodel atomizationmodel wallmodel Huh model with and without cavitation Huh-Gosman model Bai-Gosman model breakupmodel Bug fixes

23 Approach proposed by Bai and Gosman (SAE ). Liquid film model Mass, momentum and energy equations solved for a thin film using the Finite Area Method accounting for both interaction with liquid (impact) and gas phase (evaporation). Liquid film

24 Spray model Non-evaporating diesel spray Experimental data courtesy of Dr. Montanaro and Dr. Allocca (CNR-Istituto Motori)

25 Spray model Evaporating diesel spray (ECN data) Fuel: n-dodecane ( Spray-A ) Effects of ambient conditions (temperature, density) on liquid and vapor penetration. Exp data from ECN:

26 Distance [mm] Spray model Evaporating diesel spray (ECN data) Fuel: n-heptane (Spray-H) Air/fuel mixing and velocity comparison (a) (b) (c) 20 Calc. Exp Comprehensive spray model validation absolutely necessary for a correct prediction of the combustion process. Exp data from ECN:

27 Impinging gasoline spray Spray model Liquid film formation on the plate (a) t = 400 μs (b) t = 2300 μs Experimental data courtesy of Dr. Montanaro and Dr. Allocca (CNR-Istituto Motori)

28 COMBUSTION MODELS

29 Background Combustion models for IC engines. Requirements: Flexibility multiple-injections stratified charge combustion different combustion regimes Detailed chemistry pollutant formation (soot) auto-ignition multi-component fuels Interacting processes Energy transfer during spark-ignition Turbulence-chemistry interaction

30 Background Implementation of combustion models in Lib-ICE Design-oriented tools: Fast, robust and suitable for industrial simulations Reduced chemistry Diagnostic-oriented tools: Allowing a detailed analysis of the flame structure and study of new combustion modes Detailed kinetics

31 COMBUSTION MODELS Spark-ignition

32 Combustion models for SI Engines Combustion phases: spark-ignition and turbulent combustion. State of the art: different combustion models available (G-Equation, Weller, ECFM) and extensively validated. However, initial flame development plays a big role and modeling efforts are still required to describe such phase. Influence of local flow, turbulence conditions and energy transfer from the electrical circuit to be accounted for. Proposed approach: Lagrangian ignition model + turbulent combustion model (Eulerian)

33 Combustion models for SI Engines Lagrangian ignition model 1) The spark channel is represented by a set of Lagrangian particles, convected by the mean flow.

34 Combustion models for SI Engines Lagrangian ignition model 2) Flame kernels are launched at the particle locations satisfying the ignition criterion (Karlovitz). For each particle mass and energy equations are solved. Ka Ka dm dt p p dtp mp 4r pu st s plasma Tp Tb u dt m p Q m p c spk p, p

35 Combustion models for SI Engines Lagrangian ignition model 3) Flame surface density distribution reconstructed from particle distribution and their size. spk N f i1 V i cell S i

36 a [m 2 /s] c p [kj/jkgk] Combustion models for SI Engines Lagrangian ignition model 4) Initial thermal transient of the plasma channel correctly described by solving the heat conduction equation on it. Q el r i T i (>10000 K) T u ( K) Temperature [K] Tpl 2 Qel 2 a Tpl a t c pvpl T Temperature [K] pl V c t it p V pl

37 Combustion models for SI Engines Lagrangian ignition model 5) Simplified model for the secondary circuit to estimate the amount of energy transferred to the gas phase R p R s L p L s Spark gap de dt is V s Q s t R t V V l spk V 2E L ac s i s s s t it 2 t V t i t gc spk s s

38 Combustion models for SI Engines Lagrangian ignition model 6) Ignition source term included in the flame surface density transport equation: t ui x i x i Sc t Sc t xi P D Possibility to choose different expressions for P and D depending on the selected FSD approach. P k

39 Combustion models for SI Engines sparkignition library in Lib-ICE flamekernelignition flamekernel Cloud<flameKernel> particle electricalcircuit plasmachannelmodel regionmodel sparkignitionsubmodels ignition, restrike, wall, dispersion, efficiency flamesurfacedensitymodels CFM, ECFM, CFM-2, Chang-Huh,.. Solver: lagrangianplasmaflamekernelenginefoam

40 Combustion models for SI Engines Experimental validation: optical pre-chamber engine Pre-chamber with optical access. Fuel: propane; laminar flame speed: Gulder Tested operating conditions: 1) Effect of engine speed 2) Effect of air/fuel ratio 3) Effect of spark-plug position Grid generation: snappyhexmesh Engine geometry details, operating conditions and complete set of experimental data available in SAE Paper

41 non-dimensional ratio Combustion models for SI Engines Experimental validation: optical pre-chamber engine Non-combusting conditions Ignition locations Calc. Exp. 8 4 u'/u p U mean /u p Crank Angle [deg] velocity Turbulence intensity Correct prediction of turbulence intensity and velocity very important for realistic simulation of the combustion process

42 Combustion models for SI Engines Experimental validation: optical pre-chamber engine Computed vs experimental burned volume Effect of air/fuel ratio at 1000 rpm Effect of engine speed

43 COMBUSTION MODELS Diesel

44 Complex process involving: Diesel combustion Detailed fuel chemistry (auto-ignition, pollutant formation) Spray evolution Multi-component fuels Turbulence-chemistry interaction Implemented approaches: CTC (reduced chemistry) Well-mixed model (detailed chemistry) Flamelet-combustion models (detailed chemistry)

45 Diesel combustion: CTC model 11 chemical species (fuel, O 2, N 2, CO, CO 2, H 2 O, O, OH, NO, H, H 2 ) Auto-ignition computed by the Shell auto-ignition model; turbulent combustion simulated accounting for both laminar and turbulent time scales: Characteristic time-scale combustion model, 1 ayi CTC Y i a Yi Shell, Temperature threshold to switch between auto-ignition (a=1) and turbulent combustion (a=0).

46 Diesel combustion: CTC model Validation: passenger-car, common-rail engine Bore Stroke 85 mm 88 mm Compression ratio ~15 Operating conditions: Full load with post-injection to reduce soot Medium high load with: Models: Variable EGR rate Three injection events (pre, main, post) Modified Huh-Gosman for atomization. Diesel fuel approximated as C 12 H 26 CTC+Shell for combustion. C 12 H 26 Shell-model constants proposed by Reitz.

47 Full load, single injection, No EGR Diesel combustion: CTC model Cylinder pressure validation at full load 100% 0% EGR Qpil Qmain Qpost

48 Non dimensional soot Diesel combustion: CTC model Soot emissions, full load Post-injection effect on soot emissions Effect of post injection on soot-emissions 1 Measured Computed Mass of fuel in the post-injection [mg/stroke]

49 Diesel combustion: CTC model Cylinder pressure validation at mid-load Mediumhigh load, 0% EGR 3 injections 2300 rpm imep = 10.5 bar 100% 0% EGR Qpil Qmain Qpost

50 Diesel combustion: CTC model Cylinder pressure validation at mid-load Mediumhigh load, 34% EGR 3 injections 2300 rpm imep = 10.5 bar 100% 0% EGR Qpil Qmain Qpost

51 Non-dimensional soot NO x [ppm] Diesel combustion: CTC model Soot emissions, medium-high load Injection strategy and external EGR effects on soot and NO x emissions Measured Computed Measured Computed (std.) 33.5 (adv.) (std.) 33.5 (adv.) External EGR [%] External EGR [%]

52 Diesel combustion: well-mixed model Direct integration of complex chemistry in each computational cell. Each cell is an homogeneous reactor and species reaction rates are computed by means of an ODE stiff solver: Y * i tt t t Y i t t i Wi dt' Y i Y * i t ty t t i Detailed approach but very time-consuming, mainly when a realistic mechanism (>50 species) is employed.

53 Diesel combustion: TDAC TDAC: Tabulation of Dynamic Adaptive Chemistry Combination of mechanism reduction and tabulation techniques Work developed in collaboration with Dr. F. Contino (Vrije Universiteit Brussel) and Prof. H. Jeanmart (Univ. of Louvain) CPU time speed-up compared to direct-integration is of the order of n x m (n: number of species, m: number of reactions). Very general approach, flexible with respect to the mechanism and fuel composition. Up to 300 species and 1000 reactions can be used in a reasonable amount of time.

54 Combustion models for SI Engines chemistrymodelpolimi library in Lib-ICE chemistrymodelpolimi chemistrymodel chemistrysolverstdac Developed in collaboration with Dr. F. Contino and Prof. H. Jeanmart. mechanismreduction tabulation DAC, DRG, DRGEP,.. ISAT Solvers: dieselfoamautorefine, dieselenginedymfoam

55 Diesel combustion: well-mixed model Auto-ignition and flame lift-off in SANDIA ECN Spray-A Diesel flame 103 species, 370 reactions mechanism for C 12 H 26 (Sarathi et al.) Effects of oxygen concentration and ambient temperature: IGN. DELAY

56 Diesel combustion: well-mixed model Auto-ignition and flame lift-off in SANDIA ECN Spray-A Diesel flame 103 species, 370 reactions mechanism for C 12 H 26 (Sarathi et al.) Effects of oxygen concentration and ambient temperature: LIFT-OFF

57 Diesel combustion: well-mixed model Flame structure in the SANDIA ECN Spray-A Diesel flame Temperature OH Acetylene BIN1-A 300 species, 8900 reactions mechanism for C 12 H 26 (Ranzi et al.)

58 Diesel combustion: well-mixed model PCCI combustion in an optical engine Air-fuel mixing model validation PRF30 fueled engine: ALMR employed to better predict both the fuel-air mixing process and flame propagation. Detailed mechanism for PRF fuels oxidation Combustion model validation 7 mm, exp 12 mm, exp 18 mm, exp 7 mm, calc 12 mm, calc 18 mm, calc

59 Diesel combustion: unsteady flamelets Detailed chemistry and turbulence-chemistry interaction Multiple unsteady flamelets: a set of unsteady diffusion flames represents Diesel combustion. First model towards the definition of a generic model for partially-premixed combustion CFD Code ~, st p ~ Z '' 2 x, Z ~ ~ x ~ H x h Y x i i T H ~ x x ~ Y ~ Y i Z, t 1 ~ x, t f ; x, ty td ~ i z i, 0 Flamelet Code Flamelet Equations h t Y t s i Z 2 2 Z 2 Y Z 2 h Z s 2 i 2 Y q chem

60 Diesel combustion: unsteady flamelets Detailed chemistry and turbulence-chemistry interaction CFD domain: transport equations are solved for mixture fraction Z and variance Z 2, momentum, mass, enthalpy h. Flamelet domain takes the average scalar dissipation rate conditioned on the stoichiometric mixture fraction ( st ) and use it in the flamelet equations for mass and energy in the mixture fraction space. Possibility to use multiple flamelets, with two possible criteria for division: mass or scalar dissipation rate. 1 Chemical composition in CFD cells: Y x I x Y Z pz i N f 1 f 0 i, f dz

61 Diesel combustion: unsteady flamelets Implementation of a flamelet combustion model Use of any pre-implemented capability to exploit the entire potentialities that are offered by the OpenFOAM technology: Chemistry model + in-house developments (ISAT, DAC, ) Thermodynamics Parallelization using existing domain decomposition techniques. Pre-implemented functions (average, integration, matrix algebra ) to solve flamelet equations and to exchange data between the phase space and the physical domain.

62 Diesel combustion: unsteady flamelets Implementation of a flamelet combustion model regionmodel approach for flamelet combustion models: Flamelet mesh, representing the Z space Flamelet equations (species and enthalpy) solved on the flamelet mesh, relying on native OpenFOAM matrix algebra and ODE solvers. PDF averaging: Standard OpenFOAM functions (integration, averaging) applied on the flamelet mesh, that requires accurate grading at the Z = 0 and Z = 1 boundaries.

63 Diesel combustion: unsteady flamelets flameletcombustionmodels library in Lib-ICE flameletcombustionmodels flameletcombustionmodel RIF Abstract class Implementation of Representative Interactive Flamelet Model scalardissipationrate scalardissipationrate Peters Operations to compute scalar dissipation rate ( st, (Z)) pdffunctions Solver: RIFdieselFoam

64 Diesel combustion: unsteady flamelets Simulation: SANDIA ECN Spray H flame (n-heptane) Flamelet mesh 0 z 1 The grid is refined at the boundaries (Z=0, Z=1), to correctly integrate the PDF function in presence of high mixture fraction variances, as suggested by Liu et al.

65 Diesel combustion: unsteady flamelets Simulation: SANDIA ECN Spray H flame (n-heptane) Flamelet mesh Initial conditions in the flamelet domain: Temperature in Z-domain Species in the Z-domain Temperature in Z-domain Species

66 Diesel combustion: unsteady flamelets Simulation: SANDIA ECN Spray H flame (n-heptane) Flamelet mesh Scalar dissipation rate Cool flame Temperature in Z-domain Species

67 Diesel combustion: unsteady flamelets Simulation: SANDIA ECN Spray H flame (n-heptane) Flamelet mesh Scalar dissipation rate Main ignition Temperature in Z-domain Species

68 Diesel combustion: unsteady flamelets Simulation: SANDIA ECN Spray H flame (n-heptane) t = 0.9 ms Flame structure in CFD domain computed at steady state conditions Mixture fraction Stoichiometric scalar dissipation rate Mixture fraction variance Temperature

69 Ignition delay [ms] Ignition delay [ms] Diesel combustion: unsteady flamelets Simulation: SANDIA ECN Spray H flame (n-heptane) Calc. Exp Calc. Exp. 1 amb = 14.8 kg/m amb = 30 kg/m Oxygen concentration [%] Ambient temperature T [K]

70 Acknowledgments Ing. Rita Di Gioia, Ing. Giovanni Bonandrini, Ing. Mario Picerno, Ing. Luca Venturoli, Magneti Marelli, Bologna. Dr. Francesco Contino, Vrije Universiteit Brussel. Ing. Marco Fiocco, Politecnico di Milano. Paolo Colombi, MSc. Student, Politecnico di Milano Dr. Luigi Allocca, Dr. Alessandro Montanaro, CNR- Istituto Motori

71 Thanks for your attention!

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