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    The Effects of EGR and Its Constituents on theAutoignition of Single- and Two-Stage Fuels

    John Dec, Magnus Sjberg, and Wontae HwangSandia National Laboratories

    13th Diesel Engine-Efficiency and Emissions Research Conference August 13 16, 2007, Detroit, MI

    Sponsors:U.S. DOE, Office of FreedomCAR & Vehicle Technologies

    Program Manager: Gurpreet Singh

    Saudi Aramco Oil CompanyProgram Manager: Ahmar Ghauri

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    Introduction

    z Advanced LTC diesel and HCCI engines can provide both highefficiencies and very low emissions of NO X and PM.

    z Nearly all LTC and HCCI strategies use high levels of EGR/residuals.

    1. Reduce peak combustion temperatures to control NO X.2. Delay the onset of ignition.

    Controlling combustion phasing.For HCCI-like diesel, it allows more time for premixing before ignition.

    3. For gasoline HCCI, hot residuals are used to promote autoignition, andcombined with cooled EGR, to control combustion phasing and NO X.

    z Although EGR is widely used, its thermodynamic and chemical effectson autoignition are only understood in general terms.

    z Objective: Provide a fundamental understanding of how EGR andits constituents affect the autoignition of single- andtwo-stage ignition fuels.

    Conduct well-controlled experiments in an HCCI engine.

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    HCCI Engine and Subsystems

    Only premixedfueling is usedfor this study.

    Cummins B

    0.98 liter / cyl.CR = 14 piston

    EGR Systemsz Real EGRz Simulated EGR &EGR constituents

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    Baseline Points40

    330 335 340 345 350 355 360 365 370Crank Angle [CA]

    iso-OctaneGasolinePRF80PRF60, 29% CSP

    CA50 =368CA

    PRF60, 29% CSPPRF80Gasolineiso-Octane

    Baseline Points

    E G R

    C/F = 37.8 ( = 0.40)CA50 = 368CA

    Single-stageIgnitionTwo-stage

    Ignition (LTHR)

    No EGR 29% CSP

    Gasoline

    TDC

    z Establish baseline operating pointsfor all four fuels. CA50 = 368CA (8 aTDC)

    35

    30

    25

    20

    15z Study the retarding effects of EGR 10

    and its constituents. 12001100

    z Iso-octane and gasoline exhibitsingle-stage autoig. at these conds.

    1000

    900

    800z PRF80 and PRF60 have two-stage 700

    autoignition with LTHR. Similar to diesel fuel (CN = 21 & 30).

    180z Baseline conditions have no EGR

    except for PRF60 29% CSP.

    Operating ConditionsP in = 100 kPa (naturally asp.)

    1200 rpm.

    C/F-mass ratio = 37.8,( = 0.40 without EGR.)

    160

    140

    120

    100

    80

    60

    40

    P r e s s u r e

    [ b a r ]

    M a s s - A v e r a g e d

    T e m p . [ K

    ]

    R e q u

    i r e

    d I n t a k e T e m p . [

    C ]

    50 60 70 80 90 100PRF Number, Anti-knock Index

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    Composition of EGR (CSP)

    z Consider complete combustion of iso-octane in "air".(Argon and atmospheric CO 2 lumped with N 2.)

    z C 8H18 + 12.5 (O 2 + 3.773 N 2) 8 CO 2 + 9 H 2O + 47.16 N 2.

    z For complete combustion with = 1, the gas composition (excl. fuel)changes from air: 21% O 2 & 79% N 2 (mole basis).

    z to: 12.5% CO 2, 14.0% H 2O and 73.5% N 2 for wet exhaust (CSP).

    z to: 14.5% CO 2 and 85.5% N 2 for dry exhaust (Dry CSP).

    z These gas compositions will be referred to as:Complete Stoichiometric Products CSP & Dry CSP .

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    Thermodynamic Effects of EGR (CSP)

    z EGR influences the compressed-gas temperature. Heat-capacities of CSP & individual components are different from that of air.

    z Start with motored operation. Examine effects of CSP & its

    components on the mass-averaged temperature near TDC.z Displace air while

    maintaining P in = 100 kPa.900

    890

    z Trends can be explained by 880changes in specific heat (C v).

    T e m

    p e r a t u r e

    @ 3

    5 0 C A [ K ]

    870

    CO 2 has highest C v (mole bs.). 860 H2O high C v. 850

    N2 Cv slightly less than air. 840 CSP between air and H 2O. 830

    Dry CSP slightly lower C v820

    than CSP.1112131415161718192021

    Intake O2 Mole Fraction [%]

    N2Dry CSPCSPH20CO2

    Motored Data

    Increasing Diluent

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    900

    Autoignition Retard for iso-Octane

    z Investigate the effect of these gases on combustion phasing.

    z The autoignition retard is highly dependent on the type of the diluent.

    z The retarding effect of the various gases is ordered consistently withtheir "cooling capacity" - thermodynamic effect .

    z However, N 2 addition increases the compression temperature, but thephasing is retarded, so there must be a weak chemical [O2] effect.

    1112131415161718192021Intake O2 Mole Fraction [%]

    N2Dry CSPCSPH20CO2

    Motored Data

    1 0 % B u r n e d

    [ C A ]

    373

    372

    371

    370

    369

    368

    367

    1919.219.419.619.82020.220.420.620.821Intake O2 Mole Fraction [%]

    CO2H2OCSPDry CSPN2

    Tin = 175C

    T e m p e r a t u r e

    @

    3 5 0 C A [ K ]

    890

    880

    870

    860

    366

    365820

    830

    840

    850

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    373

    Temperature Traces for iso-Octane

    1050

    Air, BaselineN2CO2 CA10

    370.5CA

    CA10365.7CA

    CO 2

    N2

    Air

    z Retarding effect of lower [O 2]becomes more significant athigher levels of N 2 addition. Clearly, reduction of [O 2] has to

    lead to misfire at some point.

    z Temperature traces illustrate

    1040

    1030

    1020

    1010

    1000

    990980

    970

    960

    1 0 % B u r n e d

    [ C A ]

    M a s s -

    A v e r a g e d

    T e m p . [

    K ]

    different mechanisms for retard. 950350 355 360 365 370 375

    Crank Angle [CA]

    16.51717.51818.51919.52020.521Intake O 2 Mole Fraction [%]

    CO2H2OCSPDry CSPN2

    iso-OctaneTin = 175C

    373

    372

    371

    370

    369

    368

    372

    1919.219.419.619.82020.220.420.620.821Intake O2 Mole Fraction [%]

    CO2H2OCSPDry CSPN2

    Tin = 175C

    1 0 % B u r n e d

    [ C A ]

    371

    370

    369

    367

    366

    365365

    366

    367

    368

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    900

    Autoignition Retard for PRF80 (2-Stage Ignition)

    z For PRF80, the retarding effects are not consistent with the "coolingcapacity" of the added gases (except for CO 2).

    z N2 addition (reduced [O 2]) strongly retards combustion phasing.

    1 0 % B u r n

    e d [ C A ]

    T e m p . R

    i s e

    3 3 5 -

    3 5 2 C A

    [ K ]

    147

    146

    145

    144

    143

    142

    z

    PRF80's high sensitivity to [O 2]occurs for two reasons: First, a reduced [O 2] reduces the

    LTHR.

    CO2H2ON2Dry CSPCSP

    Tin = 72C

    PRF80, N2

    2nd Order Curve Fit

    890

    1112131415161718192021Intake O2 Mole Fraction [%]

    N2Dry CSPCSPH20CO2

    Motored Data

    373

    374

    T e m p e r a t u r e @

    3 5 0 C A [ K ]

    880 372

    371870

    860 370

    369

    368

    367

    366

    21 20.8 20.6 20.4 20.2 20 19.8 19.6 19.4 19.2 19

    820

    Intake O2 Mole Fraction [%]

    830

    840

    850

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    900

    Autoignition Retard for PRF80 - [O 2]

    z Second, a reduced [O 2] also affects hot ignition.1060104010201000

    980960940920900880

    T e m p e r a t u r e @

    3 5 0 C A [ K ]

    M a s s -

    A v e r a g e d

    T e m p . [

    K ]

    N2CO 2

    [O2] = 20.7%

    [O2] = 19.3%

    Post-LTHRtemperatureis the same.

    1 0 % B u r n

    e d [ C A ]

    T e m p . R

    i s e

    3 3 5 -

    3 5 2 C A

    [ K ]

    147

    146

    145

    144

    143

    142

    CO2H2ON2Dry CSPCSP

    Tin = 72C

    PRF80, N2

    2nd Order Curve Fit

    350 355 360 365 370 375Crank Angle [CA]

    890

    1112131415161718192021Intake O2 Mole Fraction [%]

    N2Dry CSPCSPH20CO2

    Motored Data

    373

    374

    880 372

    371870

    860 370

    369

    368

    367

    366

    21 20.8 20.6 20.4 20.2 20 19.8 19.6 19.4 19.2 19

    820

    Intake O2 Mole Fraction [%]

    830

    840

    850

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    All Constituents for PRF80 - H 2O

    z Thermodynamic "cooling" should add to [O 2] effect for all constituents.z Why is the retarding effect of H 2O equal to N 2?

    z H2O enhances the intermediate chemistry, so thermal run-away occurs

    at lower temperature. Almost perfectly counteracts the cooling effect of H 2O!z Also explains why CSP is less retarded than dry CSP.

    z H2O does not enhance the intermediate chemistry for iso-Octane.

    374

    373

    372

    371

    370

    369

    368

    367

    366

    1 0 % B u r n e d

    [ C A ]

    880

    900

    920

    940

    960

    980

    1000

    350 355 360 365 370 375Crank Angle [CA]

    M a s s -

    A v e r a g e d

    T e m p . [

    K ]

    iso-Octane, CO2iso-Octane, H2OPRF80, N2PRF80, H2O

    PRF80CA10 371CA

    iso-OctaneCA10 370.4CA

    1919.219.419.619.82020.220.420.620.821Intake O2 Mole Fraction [%]

    CO2H2ON2Dry CSPCSP

    Tin = 72C

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    Comparing [O 2] Sensitivities

    z Have now identified three mechanisms by which EGR affects phasing.1. C v effect (thermodynamic retarding).

    2. O 2-concentration effect (chemical retarding).

    3. H2O effect (chemical enhancing).

    z Compare side by side for all fuels.

    z N2 addition gives most reductionin [O 2] for least change in C v.

    373

    372z The two-stage ignition fuels

    PRF80 and PRF60 are371

    much more sensitive. 370369

    z Lower [O 2] both reducesLTHR and counteracts 368

    the hot ignition. 367366

    z Gasoline is initially very

    insensitive to [O 2].

    1 0 %

    B u r n e

    d [ C A ]

    15.51616.51717.51818.51919.52020.521Intake O 2 Mole Fraction [%]

    PRF60PRF80iso-OctaneGasolineGas., 3rd order

    N2

    addition

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    Comparing Thermal Sensitivities

    1. C v effect (thermodynamic retarding).

    2. O 2-concentration effect (chemical retarding).

    3. H 2O effect (chemical enhancing).

    z CO 2 addition gives mostthermodynamic cooling, with 373least change in [O 2].

    20.220.320.420.520.620.720.820.921Intake O 2 Mole Fraction [%]

    Gasolineiso-OctanePRF80

    PRF60

    CO 2 addition372

    371

    1 0 % B u r n e d

    [ C A ]

    z The single-stage ignition fuels,iso-octane and gasoline, aremuch more sensitive to thecooling effect of CO 2.

    370

    369

    368

    367z The reason for this explained in:Proceedings of the Combustion 366Institute , Vol. 31, pp. 28952902,2007.

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    Comparing CSP Effects

    1. C v effect (thermodynamic retarding).

    2. O 2-concentration effect (chemical retarding).

    3. H 2O effect (chemical enhancing).

    z The overall effect of CSP results from the combination of these threemechanisms.

    374z CSP gives similar amounts of 373

    retard for all four fuels. 372z But underlying mechanisms 371

    1 0 %

    B u r n

    P o

    i n t [ C A ]

    are different. 370369

    z Trace species in real EGR 368add to these effects. 367366

    19.219.419.619.82020.220.420.620.821Intake O 2 Mole Fraction [%]

    iso-OctanePRF60, Shifted 6.1%PRF80Gasoline

    CSP addition

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    Real EGR Effects

    z Real EGR contains trace species 373372that also affect the autoignition. 371 Unburned fuel, partially oxidized 370369

    fuel, formaldehyde, CO, and other 368

    species. 367366z For iso-Octane and Gasoline, 365

    372real EGR retards less than CSP. 371370

    z For PRF80, real EGR has a 369retards slightly more than CSP. 368

    367

    366z The net effect of these species is 365

    to advance the ignition for iso- 372371

    octane and gasoline... 370369

    z ...but to retard it for PRF80. 368367

    366

    1 0 % B u r n

    P o

    i n t [ C A ]

    CSP

    Real EGR

    PRF80Tin = 72C

    CSP

    Real EGR

    GasolineT in = 149C

    CSP

    Real EGR

    iso-OctaneT in = 175C

    21 20.8 20.6 20.4 20.2 20 19.8 19.6 19.4 19.2 19

    Intake O 2 Mole Fraction [%]

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    Summary / Conclusionsz EGR is very effective for suppressing autoignition reactivity.

    Can be used beneficially for controlling combustion phasing across loadand speed ranges.

    Iso-Octane Gasoline PRF80 PRF60

    Effect: Single-stage Two-stage with LTHR

    Retarding C v effect (thermodynamic) Strong Weak

    [O 2 ] effect (chemical) Weak Strong

    Enhancing H 2 O effect (chemical) None to weak Strong

    Trace Species Moderate enhancing Moderate retarding

    z The net result of the different thermal, O 2, and H 2O sensitivities is afairly similar effect of CSP for all fuels.

    z Trace species (unburned and partially oxidized fuel, and CO) influence

    the effect of real EGR. Details in: SAE 2007-01-0207

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    900

    Autoignition Retard for PRF80 - [O 2]

    z Lower [O 2] also affects hot ignition, in addition to reducing the LTHR.

    M a s s - A v e r a g e

    d T e m p . [

    K ]

    N2

    CO 2

    [O 2] = 20.7%

    [O 2] = 19.3%

    1040

    1000

    960

    920

    880

    840

    800

    1 0 % B u r n e d

    [ C A ]

    T e m p . R

    i s e

    3 3 5 -

    3 5 2 C A

    [ K ]

    147

    146

    145

    144

    143

    142

    CO2H2ON2Dry CSPCSP

    Tin = 72C

    PRF80, N22nd Order Curve Fit

    760335 340 345 350 355 360 365 370 375

    Crank Angle [CA]

    890

    1112131415161718192021Intake O2 Mole Fraction [%]

    N2Dry CSPCSPH20CO2

    Motored Data

    373

    374

    T e m p e r a t u r e

    @ 3

    5 0 C A [ K ]

    880 372

    371870

    860 370

    369

    368

    367

    366

    21 20.8 20.6 20.4 20.2 20 19.8 19.6 19.4 19.2 19

    820

    Intake O2 Mole Fraction [%]

    830

    840

    850

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    Autoignition Retard for Gasoline

    z N2 addition shows that the chemical [O 2] effect is very weak.

    z Retarding effect of H 2O is weaker than expected based on its high C v.

    z CSP (with water) has a slightly weaker retarding effect than dry CSP.

    z Temperature traces confirm that H 2O has an enhancing effect onautoignition for gasoline.

    z Effect is stronger than for iso-octane, but much weaker than for PRF80.

    350 355 360 365 370 375Crank Angle [CA]

    CO2

    H2O

    GasolineCA10 370.3CA

    3731020

    CO2H2O

    Dry CSPCSPN2

    GasolineT in = 149C

    M a s s -

    A v e r a g e d

    T e m p . [

    K ]

    372

    371

    370

    1000

    1 0 % B u r n e d

    [ C A ]

    980

    369960

    368

    367

    366

    365

    21 20.8 20.6 20.4 20.2 20 19.8 19.6 19.4 19.2 19Intake O 2 Mole Fraction [%]

    900

    920

    940

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    Real EGR Effects (2)z Intake concentrations increase with

    EGR level and retard. 373372z These effects of Real EGR are also 371

    370important for explaining the effects of 369retained residuals. 368

    367z Discussed in Proceedings of the 366Combustion Institute , Vol. 31, pp. 365

    CSP

    Real EGR

    PRF80Tin = 72C

    CSP

    Real EGR

    GasolineT in = 149C

    CSP

    Real EGR

    iso-OctaneT in = 175C

    28952902, 2007.

    1 0 % B u r n P o

    i n t [ C A ] 372

    371

    370

    369368

    367

    366

    PRF80iso-OctaneGasoline

    Intake CO

    iso-OctanePRF80Gasoline

    Intake HC

    300

    250

    200

    150

    100 I n t a k e C O - [ p p m

    ]

    50 3650 372

    1200

    1000

    I n t a k e H C -

    [ p p m

    ] 371

    370

    369

    368

    400 367

    200 36621 20.8 20.6 20.4 20.2 20 19.8 19.6 19.4 19.2 19

    21 20.8 20.6 20.4 20.2 20 19.8 19.6 19.4 19.2 19 Intake O 2 Mole Fraction [%]Intake O 2 Mole Fraction [%]

    0

    600

    800

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    Compare with NIST Database

    z All air displacement except N 2 reduce the compression temperature.z Can be explained by changes of the specific heat capacity.z CO 2 has highest specific heat capacity on a mole basis.z H2O has high specific heat capacity.z N2 has slightly lower specific heat capacity compared to air.z CSP falls between Air and H 2O.z Dry CSP has slightly lower C v compared to CSP.

    T e m p e r a t u r e

    @ 3

    5 0 C A [ K ]

    15

    20

    25

    30

    35

    40

    45

    50

    H e a

    t C a p a c i t y -

    C v

    [ J / K * m o

    l ]

    CO2H2OCSPDry CSP

    Air N2

    NIST ChemistryWebBook

    900

    890

    880

    870

    860850

    840

    Motored Data

    N2Dry CSPCSPH20CO2

    830

    820

    300 400 500 600 700 800 900 1000 1100 1200 21 20 19 18 17 16 15 14 13 12 11Temperature [K] Intake O2 Mole Fraction [%]