Ellingham Diagram application.pdf

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  • oxide formula,normalized to 1 mol O2

    example R ox O2

    2 R2O = R4O2 Na2O 4 2 1

    2 RO = R2O2 CaO 2 2 1

    2/3 R2O3 = R4/3O2 Al2O3 4/3 2/3 1

    1 RO2 = R1O2 SiO2 1 1 1

    2/5 R2O5 = R4/5O2 P2O5 4/5 2/5 1

    1/2 R3O4 = R3/2O2 Fe3O4 3/2 1/2 1

    2/3 RO3 = R2/3O2 WO3 2/3 2/3 1

    OxideORG

    OxideR +

    2

  • Principle of Richardson-

    Ellingham diagram:

    abscissa starts with

    absolute 0 K

    ordinate represents

    Gibbs energie of oxidation

    reactions for a turnover

    of 1 mol O2

    the O2 partial pressure is fixed

    by O2 concentration directly,

    or by pivot equilibria:

    H2/H2O,

    CO/CO2,

    H2/H2S, etc.

  • 0 300 600 900 1200-1200

    -1100

    -1000

    -900

    -800

    -700

    -600

    -500

    -400

    -300

    -200

    -100

    0

    4/3 Al + O

    2 = 2/3 A

    l2O3

    Si + O2 =

    SiO2

    2 H2 + O2 = 2 H2O

    2 CO + O2 = 2 CO2

    6 FeO + O

    2 = 2 F

    e3O4

    4 Fe3O

    4 + O2

    = 6 Fe

    2O3

    G in kJ per mol O2

    C

    -28

    -24

    -20

    -16

    -12

    -8

    -4

    0

    12

    10

    8

    6

    4

    2

    0

    -2

    12

    10

    8

    6

    4

    2

    0

    -2

    -4

    log [CO]/CO2]

    log [H2]/[H

    2O] log [O

    2]

  • 0 300 600 900 1200-800

    -700

    -600

    -500

    -400

    -300

    -200

    -100

    0

    G in kJ per mol O2

    C

    Ag2O

    0

    VOV2O3

    Cr2O3

    VO2

    ZnO

    V2O5

    FeO

    Fe3O4

    Fe2O3

    CoONiO

    PbOCrO

    3

    Cu2O

    Pb3O4

    CuO

    log [CO]/CO2]

    -3

    -2

    7

    6

    5

    4

    3

    2

    1

    0

    -1

    log [H2]/[H

    2O]

    -4

    -3

    -2

    -1

    7

    6

    5

    4

    3

    2

    1

    0

    log [O2]

    -20

    -18

    -16

    -14

    -12

    -8

    -6

    -4

    -2

    -10

  • 0 300 600 900 1200-800

    -700

    -600

    -500

    -400

    -300

    -200

    -100

    0

    G in kJ per mol O2

    C

    Ag2O

    0

    VOV2O3

    Cr2O3

    VO2

    ZnO

    V2O5

    FeO

    Fe3O4

    Fe2O3

    CoONiO

    PbOCrO

    3

    Cu2O

    Pb3O4

    CuO

    log [CO]/CO2]

    -3

    -2

    7

    6

    5

    4

    3

    2

    1

    0

    -1

    log [H2]/[H

    2O]

    -4

    -3

    -2

    -1

    7

    6

    5

    4

    3

    2

    1

    0

    log [O2]

    -20

    -18

    -16

    -14

    -12

    -8

    -6

    -4

    -2

    -10

    G in kJ per mol O2

    C

    log [CO] / CO2]

    log [H2] / [H2O] log [ O2]

    0

    -400

    4 eV

    -10

    -8

    -6

    -4

    -2

    0

    -10

    -5

    0

    l

    o

    g

    a

    (

    o

    x

    i

    d

    e

    )

    600 C 1200 C

    shift for GMIX = RT ln a(oxide)

  • 0 300 600 900 1200-1200

    -1100

    -1000

    -900

    -800

    -700

    -600

    -500

    -400

    -300

    -200

    -100

    0

    4/3 Al + O

    2 = 2/3 A

    l2O3

    Si + O2 =

    SiO2

    2 H2 + O2 = 2 H2O

    2 CO + O2 = 2 CO2

    6 FeO + O

    2 = 2 F

    e3O4

    4 Fe3O

    4 + O2

    = 6 Fe

    2O3

    G in kJ per mol O2

    C

    -28

    -24

    -20

    -16

    -12

    -8

    -4

    0

    12

    10

    8

    6

    4

    2

    0

    -2

    12

    10

    8

    6

    4

    2

    0

    -2

    -4

    log [CO]/CO2]

    log [H2]/[H

    2O] log [O

    2]

    40 m

    Sperical Si-Fe particle in a

    glass generated at 1400 C

    by to the reactions:

    2FeOAl2FeOAl

    SiOAl SiOAl

    3232

    34

    3232

    234

    ++

    ++

    600

    900

    1200

    1500

    C

    Fe Siwt. %

    liquid

    1214

    953

    Silow-

    FeSi2FeSi

    Fe2Si

    bcc

    fcc high-

    FeSi2

    Fe4Si3

  • 0 300 600 900 1200-1200

    -1100

    -1000

    -900

    -800

    -700

    -600

    -500

    -400

    -300

    -200

    -100

    0

    4/3 Cr + O

    2 = 2/3 C

    r2O3

    4/3 Al + O

    2 = 2/3 A

    l2O3

    Si + O2

    = SiO2

    2 H2 + O2 = 2 H2O

    2 CO + O2 = 2 CO2

    6 FeO + O

    2 = 2 F

    e3O4

    4 Fe3O

    4 + O2

    = 6 Fe

    2O3

    G in kJ per mol O2

    C

    -28

    -24

    -20

    -16

    -12

    -8

    -4

    0

    12

    10

    8

    6

    4

    2

    0

    -2

    12

    10

    8

    6

    4

    2

    0

    -2

    -4

    log [CO]/CO2]

    log [H2]/[H

    2O] log [O

    2]

    oxide scales on steel:

    Al2O3

    Cr2O3

    SiO2

    steel