Reciprocating Internal Combustion Engines

Similar documents
CFD Combustion Models for IC Engines. Rolf D. Reitz

Modelling Combustion in DI-SI using the G-equation Method and Detailed Chemistry: Emissions and knock. M.Zellat, D.Abouri, Y.Liang, C.

Foundations of Thermodynamics and Chemistry. 1 Introduction Preface Model-Building Simulation... 5 References...

Marc ZELLAT, Driss ABOURI, Thierry CONTE and Riyad HECHAICHI CD-adapco

COMBUSTION in SI ENGINES

Maximizing Engine Efficiency by Controlling Fuel Reactivity Using Conventional and Alternative Fuels. Sage Kokjohn

Modeling Constant Volume Chamber Combustion at Diesel Engine Condition

COMBUSTION in SI ENGINES

THE USE OF Φ-T MAPS FOR SOOT PREDICTION IN ENGINE MODELING

Overview & Perspectives for Internal Combustion Engine using STAR-CD. Marc ZELLAT

Improving Fuel Efficiency with Fuel-Reactivity-Controlled Combustion

Emissions predictions for Diesel engines based on chemistry tabulation

* Corresponding author

DARS FUEL MODEL DEVELOPMENT

Natural Gas fuel for Internal Combustion Engine

System Simulation for Aftertreatment. LES for Engines

Numerical Study of Multi-Component Spray Combustion with a Discrete Multi- Component Fuel Model

Numerical Study of Flame Lift-off and Soot Formation in Diesel Fuel Jets

Combustion PVM-MF. The PVM-MF model has been enhanced particularly for dualfuel

Crankcase scavenging.

Homogeneous Charge Compression Ignition combustion and fuel composition

1 ERC Symposium - Future Engines and Their Fuels

SI engine combustion

Control of PCCI Combustion using Physical and Chemical Characteristics of Mixed Fuel

Incorporation of Flamelet Generated Manifold Combustion Closure to OpenFOAM and Lib-ICE

Dual Fuel Engine Charge Motion & Combustion Study

Recent enhancement to SI-ICE combustion models: Application to stratified combustion under large EGR rate and lean burn

EEN-E2002 Combustion Technology 2017 LE 3 answers

Recent Advances in DI-Diesel Combustion Modeling in AVL FIRE A Validation Study

Surrogate Fuels for Transportation Fuels

Introduction to combustion

IC Engines Roadmap. STAR-CD/es-ice v4.18 and Beyond. Richard Johns

LECTURE NOTES INTERNAL COMBUSTION ENGINES SI AN INTEGRATED EVALUATION

PDF-based simulations of in-cylinder combustion in a compression-ignition engine

Revisit of Diesel Reference Fuel (n-heptane) Mechanism Applied to Multidimensional Diesel Ignition and Combustion Simulations

Lib-ICE A C++ object-oriented library for internal combustion engine simulations: spray and combustion modeling

EFFECT OF INJECTION ORIENTATION ON EXHAUST EMISSIONS IN A DI DIESEL ENGINE: THROUGH CFD SIMULATION

Module 2:Genesis and Mechanism of Formation of Engine Emissions Lecture 9:Mechanisms of HC Formation in SI Engines... contd.

In-Cylinder Engine Calculations: New Features and Upcoming Capabilities Richard Johns & Gerald Schmidt

Evolution of Particle Size Distribution within the Engine Exhaust and Aftertreatment System

Marc ZELLAT, Driss ABOURI and Stefano DURANTI CD-adapco

Flow Reactors for Validation Data Base Development

Gas exchange and fuel-air mixing simulations in a turbocharged gasoline engine with high compression ratio and VVA system

Effect of Reformer Gas on HCCI Combustion- Part II: Low Octane Fuels

Figure 1: The spray of a direct-injecting four-stroke diesel engine

Internal Combustion Engine

Normal vs Abnormal Combustion in SI engine. SI Combustion. Turbulent Combustion

is the crank angle between the initial spark and the time when about 10% of the charge is burned. θ θ

The Effect of Volume Ratio of Ethanol Directly Injected in a Gasoline Port Injection Spark Ignition Engine

COMPARISON OF VARIABLE VALVE ACTUATION, CYLINDER DEACTIVATION AND INJECTION STRATEGIES FOR LOW-LOAD RCCI OPERATION OF A LIGHT-DUTY ENGINE

A Second Law Perspective on Critical IC Research for High Efficiency Low Emissions Gasoline Engines

COMBUSTION AND EXHAUST EMISSION IN COMPRESSION IGNITION ENGINES WITH DUAL- FUEL SYSTEM

Module7:Advanced Combustion Systems and Alternative Powerplants Lecture 32:Stratified Charge Engines

Reciprocating Internal Combustion Engines

Fundamental Kinetics Database Utilizing Shock Tube Measurements

Which are the four important control loops of an spark ignition (SI) engine?

Reciprocating Internal Combustion Engines

THERMO-KINETIC COMBUSTION MODELING OF AN HCCI ENGINE TO ANALYZE IGNITION TIMING FOR CONTROL APPLICATIONS

3D CFD Modeling of Gas Exchange Processes in a Small HCCI Free Piston Engine

Numerical Investigation of the Influence of different Valve Seat Geometries on the In-Cylinder Flow and Combustion in Spark Ignition Engines

Low Emissions IC Engine Development at Ford Motor Company

Validation and Verification of ANSYS Internal Combustion Engine Software. Martin Kuntz, ANSYS, Inc.

Model validation of the SI test engine

LES of Spray Combustion using Flamelet Generated Manifolds

Università degli Studi di Roma Tor Vergata Modeling Combustion of Methane- Hydrogen Blends in Internal Combustion Engines (BONG-HY)

Marc ZELLAT, Driss ABOURI, Thierry CONTE. CD-adapco Group

MODELING AND ANALYSIS OF DIESEL ENGINE WITH ADDITION OF HYDROGEN-HYDROGEN-OXYGEN GAS

air had to be heated to a high level to achieve HCCI operation due to the low level of internal residuals inherent in four-stroke engines.

A Computational Investigation of Two-Stage Combustion in a Light-Duty Engine

Numerical investigation of CAI Combustion in the Opposed- Piston Engine with Direct and Indirect Water Injection

COVENANT UNIVERSITY NIGERIA TUTORIAL KIT OMEGA SEMESTER PROGRAMME: MECHANICAL ENGINEERING

AN EXPERIMENTAL STUDY ON THE EFFECTS OF EGR AND EQUIVALENCE RATIO ON CO AND SOOT EMISSIONS OF DUAL FUEL HCCI ENGINE

Engine Heat Transfer. Engine Heat Transfer

STATE OF THE ART OF PLASMATRON FUEL REFORMERS FOR HOMOGENEOUS CHARGE COMPRESSION IGNITION ENGINES

Randy Hessel and Dave Foster University of Wisconsin-Madison, Engine Research Center

Optical methods for combustion research

CHAPTER 8 EFFECTS OF COMBUSTION CHAMBER GEOMETRIES

Towards modelling of multiple combustion modes: Dual-fuel Concept & Formulation

INVESTIGATION ON EFFECT OF EQUIVALENCE RATIO AND ENGINE SPEED ON HOMOGENEOUS CHARGE COMPRESSION IGNITION COMBUSTION USING CHEMISTRY BASED CFD CODE

Combustion calibration in a Methane port fuel injection engine with the STAR-CD ISSIM embedding the ECFM-3Z model

Influence of ANSYS FLUENT on Gas Engine Modeling

Thermo-Kinetic Model to Predict Start of Combustion in Homogeneous Charge Compression Ignition Engine

INFLUENCE OF INTAKE AIR TEMPERATURE AND EXHAUST GAS RECIRCULATION ON HCCI COMBUSTION PROCESS USING BIOETHANOL

Reciprocating Internal Combustion Engines

Investigation on Diesel Engine for Airflow and Combustion in a Hemispherical Combustion Chamber

Promising Alternative Fuels for Improving Emissions from Future Vehicles

Engine Exhaust Emissions

Combustion. T Alrayyes

Theoretical Study of the effects of Ignition Delay on the Performance of DI Diesel Engine

Fuel Anti-Knock Quality and Knock in SI Engines Gautam Kalghatgi

Module 3: Influence of Engine Design and Operating Parameters on Emissions Lecture 14:Effect of SI Engine Design and Operating Variables on Emissions

Rapid Meshing and Advanced Physical Modeling for Gasoline DI Engine Application

Computational Study of Partial Fuel Stratification for HCCI Engines Using Gasoline Surrogate Reduced Mechanism

STUDY OF A NEW COMBUSTION CHAMBER CONCEPT WITH PREMIXING (PREVAPORISING) DELIVERY TUBES

8.21 The Physics of Energy Fall 2009

A COMPREHENSIVE NUMERICAL STUDY OF THE ETHANOL BLENDED FUEL EFFECT ON THE PERFORMANCE AND POLLUTANT EMISSIONS IN SPARK-IGNITION ENGINE

POSIBILITIES TO IMPROVED HOMOGENEOUS CHARGE IN INTERNAL COMBUSTION ENGINES, USING C.F.D. PROGRAM

Assessment of Innovative Bowl Geometries over Different Swirl Ratios/EGR rates

Update on Ammonia Engine Combustion Using Direct Fuel Injection

Development of a two-dimensional internal combustion engines model using CFD for education purpose

Transcription:

Reciprocating Internal Combustion Engines Prof. Rolf D. Reitz, Engine Research Center, University of Wisconsin-Madison 212 Princeton-CEFRC Summer Program on Combustion Course Length: 9 hrs (Wed., Thur., Fri., June 27-29) Hour 3 Copyright 212 by Rolf D. Reitz. This material is not to be sold, reproduced or distributed without prior written permission of the owner, Rolf D. Reitz. 1 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Short course outine: Engine fundamentals and performance metrics, computer modeling supported by in-depth understanding of fundamental engine processes and detailed experiments in engine design optimization. Day 1 (Engine fundamentals) Hour 1: IC Engine Review,, 1 and 3-D modeling Hour 2: Turbochargers, Engine Performance Metrics Hour 3: Chemical Kinetics, HCCI & SI Combustion Day 2 (Spray combustion modeling) Hour 4: Atomization, Drop Breakup/Coalescence Hour 5: Drop Drag/Wall Impinge/Vaporization Hour 6: Heat transfer, NOx and Soot Emissions Day 3 (Applications) Hour 7: Diesel combustion and SI knock modeling Hour 8: Optimization and Low Temperature Combustion Hour 9: Automotive applications and the Future 2 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Modes of Engine Combustion http://www.erc.wisc.edu/combustion.php HCCI uses a hybrid combustion strategy. Premixed fuel and air is inducted, but instead of igniting with a spark as in a SI engine, the high temperature from compression causes the mixture to spontaneously react, like in a diesel engine. Ignition occurs at slightly different times at different locations in the chamber. One feature of HCCI combustion is how quickly the fuel is consumed. 3 CEFRC3 June 27, 212

Basic Combustion Concepts Spark Ignition (SI) How can SI engines operate with engine speeds from 1 to 2, rev/min? x Hour 3: Chemical Kinetics, HCCI & SI Combustion T burned fuel/air S T Turbulence! Because turbulent flame speed, S T, scales with rpm! Characteristic Time Combustion (CTC) model Kinetic energy, k~v piston 2 Integral length scale l I ~ L piston Kinetic energy dissipation rate, V piston3 /L piston Diffusivity, D ~ k 2 / V piston L piston Reitz & Bracco, 1983; Abraham, 1985 Species conversion rate (Y i, species mass fraction, * local equilibrium solution) ; c ~ k/ L piston / V piston Mallard-Le Chatelier propagating wave speed: S T dy D dt i ~ V piston Glassman, 1996 4 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Basic Combustion Concepts Diesel (CI) Halstead, 1977 Ignition Delay Q R* B Shell Ignition Model RH +O2 2R* R* R* + P + Heat R* R* + B R* R* + Q R* + Q R* + B B 2R* R* termination 2R* termination Af4 Switch to Characteristic Time Combustion model Turbulence generated by fuel injection c ~ k/ L nozzle / V nozzle Kong, 1992 5 CEFRC3 June 27, 212

Turbulent Mixing Hour 3: Chemical Kinetics, HCCI & SI Combustion Spark-ignition Hot products with Cold reactants unburned burned ~ k/ ~ L piston / V piston S T /S L S T High turbulence - faster combustion Injected fuel with entrained air ~ k/ ~ L nozzle / V nozzle air fuel Diesel Delayed ignition (PCCI) - better mixing S T = air Matalon, CEFRC 211 6 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Summary of combustion regimes Gasoline engine spark-ignition with flame propagation: High turbulence for high flame speed heat losses. Issues: NOx and UHC/CO, knock (CR, fuels), throttling losses low thermal efficiency TE ~25% Diesel engine with spray (diffusion) combustion: Rich mixtures (soot) & high temperatures (NOx) higher TE ~45% H/Premixed Charge Compression Ignition LTC, chemistry controlled: Sensitive to fuel, poor combustion/load control, low NOx-soot TE ~5% spark-ignition diesel H/PCCI 7 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Premixed Volumetric Combustion & Chemical Kinetics Species and energy conservation equations i i c s ( i u) [ D ( )] i i t Constant volume combustion Well-Stirred-Reactor (WSR) ; Williams, 1988 ; specific internal energy chemical label n r reactions n s species reactant/product stoichiometric coefficients mass fraction molecular weight species energy 8 CEFRC3 June 27, 212 I

Hour 3: Chemical Kinetics, HCCI & SI Combustion Chemical Kinetic Mechanisms for Engine Simulations Requirements for mechanisms for practical engine simulations: Size can not be too large due to CPU time limitation ~ 1 species Capable of predicting auto-ignition delay time accurately Contain proper reactions for pollutant formation precursors Biodiesel surrogates - Significant mechanism reduction is required. Soy biodiesel - Methyl: - palmitate (C16:) - stearate (C18:) - oleate (C18:1) - linoleate (C18:2) - linolenate (C18:3) C 2 C 4 C 9 9 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Hydrocarbon kinetics - NTC O 2 Second Stage Ignition H 2 O 2 = OH + OH Induction Period (s) 14 12 1 8 6 4 2 Acceleration by Q OOH branching Warnatz, 26 555 58 65 63 655 68 75 73 Initial Temperature (K) First Stage Ignition Isomerization steps 1 CEFRC3 June 27, 212

R - RH H Hour 3: Chemical Kinetics, HCCI & SI Combustion HCCI combustion kinetics Fast High Temperature Combustion Typical HCCI Combustion Temperature and Heat Release Rate profiles + O 2 OO H 2 O 2 T, P + HO 2 OOH O + + OH + O 2 OOH OO - OH HOO O O Degenerate Branching Path O + OH + O + OH Ethers/ olefins HRR Aldehydes/ketones TDC Mehl, 29 11 CEFRC3 June 27, 212 CAD

Hour 3: Chemical Kinetics, HCCI & SI Combustion Mechanism reduction identify key reaction steps ERC n-heptane mechanism Temperature 6 1. n-c 7 H 16 + OH= C 7 H 15-2+ H 2 O 2. C 7 ket 12 = C 5 H 11 CO + CH 2 O + OH 3. H 2 O 2 + M = OH + OH + M 4. HO 2 + HO 2 = H 2 O 2 + O 2 5. CH 4 + HO 2 = CH 3 + H 2 O 2 6. CO + OH= CO 2 + H, 7 7. C 7 H 15 O 2 + O 2 = C 7 ket 12 + OH Time Patel, SAE 24-1-558 12 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Reduced mechanisms - match shock tube and RCM data First stage (t1), main ignition (t2=tig) delay 1 Expts: Fieweger, 1997 Predicted ignition delay times validated against shock tube tests (data from Fieweger) =1. and P=4 bar n-heptane/air ignition delay [ms] 1.1 Cal, tig Exp, tig Cal, t1 Exp, t1.1.8.9 1 1.1 1.2 1.3 1.4 1.5 1/initial temperature [1/K] Ra and Reitz, 28 13 CEFRC3 June 27, 212

Mechanism reduction methodology Reduction of reaction pathways and species number - combination of chemical lumping, graphical reaction flow analysis and elimination methods Reaction rate optimization - ignition delay curve sensitivity analysis Ignition delay sensitivity coefficient S S ig 1 k1 1 k2 ( T ) 1 log t log ( k k ) gr Hour 3: Chemical Kinetics, HCCI & SI Combustion Pre-exponential: (log t log t ) 1 base 1 1 2 Ignition delay gradient sensitivity coefficient d log1 tk d log 1 1 tk2 ( T) dt dt 1 log ( k k ) 1 1 2 Positive S gr : counter-clockwise rotation Negative S gr : clockwise rotation Ra and Reitz, 211 A = k A base ignition sensitivity [%] 25 2 15 1 5-5 ignition delay [ms] tetra-decane: ROO+O =R-keto+OH 1 1.1.1 A = k A base 6 7 8 9 1 11 12 13 14 initial temperature [K] 65 75 85 95 15 115 125 135 145 initial temperature [K] ignition delay sensitivity gradient sensitivity 14 CEFRC3 June 27, 212 2 baseline k=2 k=.5 6 5 4 3 2 1-1 -2-3 -4 gradient sensitivity coefficient

Hour 3: Chemical Kinetics, HCCI & SI Combustion Mechanism reduction group reaction classes No Reaction As Bs Cs Ar Br Cr effect I RH H R H 2O II RH OH R H 2O C τ1, p2, p3, τ4 III RH HO 2 R H 2O2 τ1, P2, P3, τ4 IV RH O 2 R HO 2 P2, P3 V R O 2 ROO VI-a ROO = QOOH C τ 1, P 2 VI-b QOOH + O 2 = OOQOOH P 2, P 3 VI-c OOQOOH = R-keto + OH P 2, P 3 Ignition delay sensitivity coefficient VII R-keto = CH2O + R'CO + OH C τ 1 VIII R'CO = X 1 + X 2 + CO P 2, P 3, τ 4 IX R = S 1 + S 2 + S3 Sensitivity of ignition delay curves of n-heptane oxidation - solid circle, open circle and blank entry denote dominant, mild and not significant influence, respectively. - C indicates counter-clockwise rotation. - Circle only indicates clockwise rotation. Ignition delay gradient sensitivity coefficient Ra and Reitz, 211 15 CEFRC3 June 27, 212

ERC-MultiChem: PRF 41 species, 158 reactions base mechanism Source mechanisms: LLNL n-heptane (56 species; 2,539 reactions), isooctane (857 species; 3,66 reactions), ERC n-heptane (29 species; 52 reactions) ignition delay [ms] 1 1 Hour 3: Chemical Kinetics, HCCI & SI Combustion PRF MultiChem Exp, Fieweger et al. (1997).1 1 PRF nc7h16/air MultiChem 1 Exp, Fieweger et al. (1997).1.7.8.9 1 1.1 1.2 1.3 1.4 1.5 ignition delay [ms] 1/T [1/K] 1.1 ignition delay [ms] 1 1 1.1.1 =1., ic 8 H 18 /air, 4 bar.1.7.8.9 1 1.1 1.2 1.3 1.4 1.5 1/T [1/K] =1., 4 bar.8.9 1 1.1 1.2 1.3 1.4 1.5 1.6 1/initial temperature [1/K] Ra and Reitz, 28 16 CEFRC3 June 27, 212 ic8 PRF9 PRF8 PRF6 nc7 Exp, ic8 Exp, PRF9 Exp, PRF8 Exp, PRF6 Exp, nc7

Hour 3: Chemical Kinetics, HCCI & SI Combustion Chemical class grouping MultiChem skeletal mechanism Physical property surrogates Cyclo alkanes Chemistry surrogates LLNL Detailed mechanism ERC reduced mechanism* cyclohexane decalin cyclohexane n-alkane n-dodecane n-alkane n-octadecane iso-alkanes heptamethyl nonane tetramethyl hexane Aromatics naphthalene mcymene tetralin n-pentylbenzene n-heptylbenzene n-heptane n-tetradecane iso-octane toluene 857 species 3586 reactions 25 species 51 reactions MultiChem Mechanism 1 species, 348 reactions Ra and Reitz, 211 17 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion ignition delay [ms] Ignition delay validations of MultiChem 1 1 1 1.1 Gauthier CNF 24 Experiment Model.9 1 1.1 1.2 1.3 1.4 1.5 1/T [1/K] Propane phi=1. Pin= 3 bar ignition delay [ms] 1 1.1.1 Model Fieweger CNF 1997 Exp, Fieweger et al. (1997) nheptane phi=1. Pini=4 bar.7.8.9 1 1.1 1.2 1.3 1.4 1.5 1/T [1/K] 8 Surrogate fuels: n-heptane, iso-octane, tetradecane, cyclohexane, toluene, decalin, ethanol, MB/D ignition delay [ms] 1 1 1.1 Model Experiment.1.7.8.9 1 1.1 1.2 1.3 1.4 1.5 1/T [1/K] ic8h18 phi=1. Pini=4 bar Fieweger CNF 1997 ignition de lay [micr-sec] 1 1 1 1 EXP (Bounaceur et al.) Bounaceur et al. Andrae et al. ERC-MultiChem Toluene tig n [mic ro-s] 1 1 1 MCH Phi=1. E xperiment Model ignition delay [ms] 1 1.1 Experiment Model Decalin phi=1. Pini=4 bar 1.55.6.65.7.75.8 1/T [1/K] Bounaceur IJCK 25; Andrae CNF 25 1.1.8.9 1 1.1 1.2 1.3.7.8.9 1 1.1 1.2 1.3 1.4 1.5 1/T [1/K ] 1/T [1/K] Shen,Energy & Fuels, 29 18 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Biofuel models biodiesel and ethanol Soy-based biodiesel: Methyl palmitate (C16:) Methyl stearate (C18:) Methyl oleate (C18:1) Methyl linoleate (C18:2) Methyl linolenate (C18:3) n-heptane + MD.1 LLNL 3299 species long-chain methyl ester surrogate Methyl decanoate (MD), Methyl-9-decenoate (MD9D) ERC reduced: 85 species LLNL MD+MD9D mechanism PRFmulti + MD/MD9D reduced.1 nc 7 H 16 + MD nc 7 H 16 + MD9D LLNL MD+MD9D mechanism PRFmulti + MD/MD9D reduced n-heptane + MD9D Brakora SAE 211-1-831 Igniton Delay Time (s) 1E-3 1E-4 1E-5 1E-5 = 1., MD fuel = 1., MD9D fuel.6.7.8.9 1. 1.1 1.2 1.3 1.4 1.5 1.6.6.7.8.9 1. 1.1 1.2 1.3 1.4 1.5 1.6 1 / T (K) Igniton Delay Time (s) 1E-3 1E-4 1 / T (K) 19 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion HCCI Engine validations pressure [MPa] 8 7 6 5 4 3 2 1 phi=.12, Cal phi=.2, Cal phi=.28, Cal phi=.12, Exp phi=.2, Exp phi=.28, Exp 2-D grid with 2,734 cells for iso-octane HCCI combustion simulation -5-4 -3-2 -1 1 2 3 4 5 crank angle [deg atdc] Measured and predicted pressure profiles of iso-octane fueled HCCI combustion for various equivalence ratios. Measured data: Hessel, SAE 28-1-47 Ra and Reitz, 211 2 CEFRC3 June 27, 212

Validation - Gasoline HCCI Engine Cases 1 2 3 4 Engine Speed (rev/min) Equivalence Ratio Intake Temperature (K) Start of Injection (BTDC) Hour 3: Chemical Kinetics, HCCI & SI Combustion Caterpillar 34 engine Bore = 137.2mm Stroke = 165.1mm Compression ratio = 16.1 7 7 1737 1737.27.35.23.28 375 37 4 43 27 272 34 342 Tamagna, SAE 27-1-19 Pressure (bar) Pressure (bar) 7 6 5 4 3 2 1-1 -4-2 2 4 6 5 4 3 2 1 Expt Simu 7 rpm.27 CASE 1 Crank Angle ( o ATDC) CASE 3 Expt Simu 1737 rpm.23 8 7 6 5 4 3 2 1-1 -4-2 2 4 5 4 3 2 1 HRR (J/Deg) Pressure (bar) Pressure (bar) 7 6 5 4 3 2 1-1 -2-4 -2 2 4 6 5 4 3 2 1-1 Expt Simu 7 rpm.35 Crank Angle ( o ATDC) CASE 4 Expt Simu 1737 rpm.28 CASE 2-2 -4-2 2 4 21 CEFRC3 June 27, 212 Crank Angle ( o ATDC) HRR (J/Deg) Crank Angle ( o ATDC) 8 7 6 5 4 3 2 1 5 4 3 2 1 HRR (J/Deg) HRR (J/Deg)

Hour 3: Chemical Kinetics, HCCI & SI Combustion Efficient chemistry solvers Adaptive multi-grid chemistry (AMC) model Group thermodynamically-similar cells to reduce the calling frequency to save computer time Extended dynamic adaptive chemistry (EDAC) scheme Liang, 29 Dynamically determine the size of fuel chemical mechanism based on the local and instantaneous thermal conditions of the cells Thermodynamically similar cells (similar temperature, equivalence ratio ) Shi, Ge and Reitz, Springer, 212 Remap back to cells Chemkin Solver 22 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion HCCI engine validation ERC PRF mech. (39 sp, 141 rxn) Full AMC AMC+EDAC 48.27 hrs. 3.99 hrs. 2.88 hrs. 3. 2.5 Pressure (MPa) 2. 1.5 1..5 Experiment Simulation-Full Chemistry Simulation-AMC + EDAC model. -5-4 -3-2 -1 1 2 3 4 5 Crank Angle 23 Shi, Ge and Reitz, Springer, 212 23 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Flame propagation Models with Detailed Chemistry Platform: KIVA3V-G CFD code + Detailed Chemistry Solver Turbulent Flame Propagation G-equation description of combustion Laminar and turbulent flame speeds Primary heat release calculation Flame quench due to mixture stratification Post-flame Chemistry CO oxidation, H 2 -O 2 reactions Pollutant formation mechanisms Knocking Combustion Spark Ignition Engine Auto-ignition mechanisms Location / intensity Liang and Reitz, SAE 26-1-243 24 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Ignition and Level set (G-equation) Models Partially Premixed Flame (DI Engine) Discrete particle ignition model Φ<1 O2, O, NO G-Equation Flame Φ 1 propagation Diffusion CO2, H2O, CO, NO Burnt Gas Diffusion End Gas Auto-ignition (detailed kinetics) Φ>1 CH4, CO, H, H2 Fuel Droplets ST from flame speed correlations End-gas Zone Burned gas: G> Unburned gas: G< ~ G ~ ~ ~ ~ (v f vvertex ) G u ST G DT k G t 25 Flame Front Post-flame Zone Liang SAE 27-1-165 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Turbulent flame structure Combustion regime diagram Kolmogorov/Batchelor length scales: Peters, 2 Quenched broken reaction zones 1/ 4 3 l K Re 3/ 4 l I l K l Flamelets lk lf Ghandhi 212 Laminar flame thickness: lf / c p u S L T If lk Cm 3 l Cm 3.1lF, local ST = ~ 2 m Liang SAE 27-1-165 It is not possible to resolve a turbulent flame on a practical engine simulation grid 26 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Turbulent Flame Speed Correlation Cm 2 t tign ST 1 1 exp SL I 1/ 2 Peters, 2 1/ 2 2 2 2 a4b3 l l a4b3 l 2 u a4b3 Sl lf 2b1 lf 2b1 lf Progress Term Liang SAE 27-1-165 1/ 2 Stretch factor: l I 1 F 15 l 3/ 2 u l F u 2 S rk K L Turbulence stretch Characteristic Timescale: Discrete Particle Ignition Kernel (DPIK) model Curvature k k1.5 l I Cm1.16 Transition criterion: rk C m1 ~ ~ ~ G ~ ~ ( v f vvertex ) G u ST G DT k G t 27 rk Fan & Reitz 2 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Laminar Flame Speed Correlations Liang SAE 27-1-165 Power Law (Metghalchi & Keck, 1982): 3 T p S L S L, 1 2.1Ydil T p 25 (cm/sec) 2.18. 8( 1) L,ref. 16. 22( 1) S Reference State: 3K, 1bar S L, Bm B2 ( m ) 2 15 1. SL, exp ( ) 2 26.9 2 5 Liang et al. : For iso-octane, Metghalchi et al. Present Liang et study al. -.134 28.5 1. 1.5 2. Equivalence Ratio, 3.86 1.146 CEFRC3 June 27, 212 2.5

Hour 3: Chemical Kinetics, HCCI & SI Combustion Turbulent flame front zone (primary heat release) Species Production Rate within Flame Containing Cells: u Yi b Yi u Ai4 ST d i dt Vi 4 Equilibrium within Vb 1. Unburned Vu and burnt Vb volumes are tracked 2. Yi b is determined by the element potential method 3. ρib is determined by equation of state of burnt mixture b p MWmix b Yi Y i RuT b b i b Vu Vb b i4 4. ρiu is determined by mass conservation of species i Flame surface (G=) i Vi 4 ib Vb Vu u i 5. Unburned species mass fractions Yi u iu iu Liang SAE 27-1-165 i 29 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Validation - PFI/DI Gasoline Engine Bore Stroke 89 mm 79.5 mm Compression Ratio 12 : 1 Engine Speed 15 rev/min -44, -4, -36, -32 MAP (kpa) 65 Based on MIT PRF Mechanism (25 species, 51 reactions) Model constants: Cm1=2., Cm2=1. (Fixed in all cases) PFI Mode Spark timings (ATDC) Liang SAE 27-1-165 DI Mode (Spark timing sweeps) Spark timings (ATDC) -32, -28, -24, -2 MAP (kpa) 75 End of Injection (ATDC) - 72 DI Mode (Manifold-Absolute-Pressure sweeps) MAP (kpa) 75, 8, 9, 1 Spark timing (ATDC) - 33 End of Injection (ATDC) - 68 DI Mode (End-Of-Injection sweeps) End of Injection (ATDC) -76, -72, -68, -64 MAP (kpa) 75 Spark timing (ATDC) - 32 DI Configuration 3 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Validation - PFI Engine Operation Liang SAE 27-1-165 Spark Timing = 4 BTDC CA = -2 ATDC CA = 1 ATDC CA = -5 ATDC CA = 2 ATDC Evolution of the G= surface Evolution of Temperature 31 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Validation - PFI Engine Operation 2.5 2. PFI mode O -32 ATDC 1..5. -1 2.5 2. Pressure (MPa) EXPT SIMU Pressure (MPa) 1.5 2.5 1.5-5 o 5 1 Crank Angle ( ATDC) EXPT SIMU.5-5 o 5 1 Spark Timing -44, -4, -36, -32 ATDC Engine Speed 15 rpm PFI mode O -36 ATDC.5 2. PFI mode O -4 ATDC EXPT SIMU 1. 2.5 1.. -1 1.5. -1 Pressure (MPa) Pressure (MPa) 2. Liang SAE 27-1-165 1.5-5 o 5 1 Crank Angle ( ATDC) EXPT SIMU PFI mode O -44 ATDC 1..5. -1-5 5 1 o Crank Angle ( ATDC) Crank Angle ( ATDC) 32 CEFRC3 June 27, 212

Hour 3: Chemical Kinetics, HCCI & SI Combustion Assessment of the role of flame propagation Liang SAE 27-1-165 Explore Kinetics-Controlled Formulation for Turbulent Flame Propagation: After ignition kernel stage, each cell is modeled as a WSR, detailed chemistry is applied. Flame propagation is controlled by heat conduction and auto-ignition. 2.5 1.5 1. EXPT G-equation Kinetics only PFI mode 3. Pressure (MPa) Pressure (MPa) 2. 3.5 Spark timing -44 ATDC.5-6 -4-2 2 o 4 6 2. 1.5 Spark timing -32 ATDC 1..5 Transition from kernel to G-eqn -2 ATDC. -8 2.5 EXPT G-equation Kinetics only DI mode 8 Crank Angle ( ATDC). -8 Transition from kernel to G-eqn at -2 ATDC -6-4 -2 2 o 4 Crank Angle ( ATDC) Mallard-Le Chatelier propagating wave speed: ST D 33 dyi dt CEFRC3 June 27, 212 6 8

Hour 3: Chemical Kinetics, HCCI & SI Combustion Role of flame propagation Kinetics Controlled G-equation PFI case Spark timing = -44 ATDC Summary: Auto-ignition chemistry alone is NOT sufficient to properly model flame propagation. Turbulence enhancing effect on flame propagation speed in SI engines CANNOT be neglected. Liang SAE 27-1-165 34 CEFRC3 June 27, 212