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    The Boudouard Reaction: C + CO2 2 CO: Thermodynamic Calculations Kj/mole T (C) T (K) LN (KR) KR KR KR Xco2 Xco GR

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    mksayshi
    1) The Boudouard reaction (C + CO2 ↔ 2CO) is an important reaction in biomass gasification. 2) Above 900°C, CO is more stable than CO2, so CO dominates. Below 700°C, CO2 dominates. 3) Thermodynamic calculations show the equilibrium constants and mole fractions of CO and CO2 at different temperatures and pressures.

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    The Boudouard Reaction: C + CO2 2 CO: Thermodynamic Calculations Kj/mole T (C) T (K) LN (KR) KR KR KR Xco2 Xco GR

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    mksayshi
    215 views6 pages
    1) The Boudouard reaction (C + CO2 ↔ 2CO) is an important reaction in biomass gasification. 2) Above 900°C, CO is more stable than CO2, so CO dominates. Below 700°C, CO2 dominates. 3) Thermodynamic calculations show the equilibrium constants and mole fractions of CO and CO2 at different temperatures and pressures.

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    Boudouard Reaction

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    Boudouard Reaction(1)

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    1) The Boudouard reaction (C + CO2 ↔ 2CO) is an important reaction in biomass gasification. 2) Above 900°C, CO is more stable than CO2, so CO dominates. Below 700°C, CO2 dominates. 3) Thermodynamic calculations show the equilibrium constants and mole fractions of CO and CO2 at different temperatures and pressures.

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    © All Rights Reserved
    Download as XLS, PDF, TXT or read online from Scribd
    Download as xls, pdf, or txt
    215 views6 pages

    The Boudouard Reaction: C + CO2 2 CO: Thermodynamic Calculations Kj/mole T (C) T (K) LN (KR) KR KR KR Xco2 Xco GR

    Uploaded by

    mksayshi
    1) The Boudouard reaction (C + CO2 ↔ 2CO) is an important reaction in biomass gasification. 2) Above 900°C, CO is more stable than CO2, so CO dominates. Below 700°C, CO2 dominates. 3) Thermodynamic calculations show the equilibrium constants and mole fractions of CO and CO2 at different temperatures and pressures.

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    © All Rights Reserved
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    of 6

    T REED-12/1/06

    THE BOUDOUARD REACTION:


    C + CO2 <==> 2 CO
    This reaction is possibly the most important reaction in biomass gasification. At temperatures above 900
    stable than CO2, so once this has been exceeded, CO quenches in. Below ~ 700 C CO2 dominates the r
    During pyrolysis at 300-450 C "prompt CO" also forms from the carbons already bonded to CO
    THERMODYNAMIC CALCULATIONS
    T(C)
    25
    127
    227
    327
    427
    527
    627
    727
    827
    927
    1027
    1127
    1227

    T(K)
    298
    400
    500
    600
    700
    800
    900
    1000
    1100
    1200
    1300
    1400
    1500

    kJ/mole
    Gr
    112.8
    95.7
    78.9
    62.1
    45.3
    28.5
    11.8
    -5.0
    -21.8
    -38.6
    -55.4
    -72.2
    -89.0

    1 atm
    ln(Kr)
    -45.5590
    -28.7902
    -18.9920
    -12.4598
    -7.7940
    -4.2946
    -1.5729
    0.6045
    2.3860
    3.8706
    5.1268
    6.2035
    7.1367

    Kr
    1.6E-20
    3.1E-13
    5.6E-09
    3.9E-06
    4.1E-04
    1.4E-02
    2.1E-01
    1.8E+00
    1.1E+01
    4.8E+01
    1.7E+02
    4.9E+02
    1.3E+03

    10 atm
    Kr
    1.6E-21
    3.1E-14
    5.6E-10
    3.9E-07
    4.1E-05
    1.4E-03
    2.1E-02
    1.8E-01
    1.1E+00
    4.8E+00
    1.7E+01
    4.9E+01
    1.3E+02

    100 atm

    1 atm

    Kr
    1.6E-22
    3.1E-15
    5.6E-11
    3.9E-08
    4.1E-06
    1.4E-04
    2.1E-03
    1.8E-02
    1.1E-01
    4.8E-01
    1.7E+00
    4.9E+00
    1.3E+01

    Xco2
    1.000
    1.000
    1.000
    0.998
    0.980
    0.890
    0.637
    0.282
    0.078
    0.020
    0.006
    0.002
    0.001

    Xco
    0.000
    0.000
    0.000
    0.002
    0.020
    0.110
    0.363
    0.718
    0.922
    0.980
    0.994
    0.998
    0.999

    The "Free energy of formation" of various reactions permits calculation of various chemical equilibria
    Gr = Hr - TSr = -RTlnKr = -RT ln (pco)2/pco2
    Relationship of Gibbs free energy to enthalpy and entropy change; to
    (2) Kx = Kp*P = (1-Xco2)^2/Cco2
    (3) Xco = 1-Xco2
    (4) Xco2 = (K/2+1) - [(K/2 + 1)^2 -1]^1/2

    Relationship of pressure to equilibrium constant, Kp is the equilibrium


    where P is the sum of Pco + Pco2
    Binomial solution of two equations in two unknowns

    Fraction CO or CO2

    Data from "Free Energy of Binary Compounds", (T. Reed, MIT Press (1971), available from the Biomass Energy Foundatio
    G =
    H
    S
    REACTIONS
    Calories
    1.000
    CO(kcal/m)
    -55.6
    0.0401
    2C + O2 ==> 2CO
    CO2
    CO2(kc/mol)
    -94.5
    0
    CO2 ==>C + O2
    0.900
    Adding.. C + CO2 ==>2CO
    0.800 BOUDOUARD EQUILIBRIUM
    Joules
    1 ATM , K
    0.700
    CO(kJ/m)
    -232.7
    0.1679
    2C + O2 ==> 2CO
    0.600
    CO2(kJ/mol)
    -395.6
    0
    - C + O2 ==> CO2
    0.500
    Adding.. C + CO2 ==>2CO
    0.400
    0.300
    CO

    0.200
    0.100
    0.000
    400

    500

    600

    700

    800
    Tempera

    peratures above 900 C, CO is much more


    CO2 dominates the reaction, so little CO is made.
    ded to CO
    10 atm
    Xco2
    1.000
    1.000
    1.000
    0.999
    0.994
    0.964
    0.866
    0.654
    0.368
    0.150
    0.053
    0.019
    0.008

    100 atm

    Xco
    0.000
    0.000
    0.000
    0.001
    0.006
    0.036
    0.134
    0.346
    0.632
    0.850
    0.947
    0.981
    0.992

    Xco2
    1.000
    1.000
    1.000
    1.000
    0.998
    0.988
    0.955
    0.874
    0.720
    0.507
    0.295
    0.147
    0.069

    Xco
    0.000
    0.000
    0.000
    0.000
    0.002
    0.012
    0.045
    0.126
    0.280
    0.493
    0.705
    0.853
    0.931

    py and entropy change; to the equilibrium constant and to concentrations


    tant, Kp is the equilibrium constant in atm, Kx in mole fraction.
    CO2

    CO

    omass Energy Foundation Press)

    CO2

    OUARD EQUILIBRIUM
    1 ATM , K

    00

    CO

    600

    700

    800 900 1000 1100 1200 1300 1400


    Temperature - K

    1.000
    0.900
    0.800

    CO2

    Fraction of CO and CO2

    0.700
    0.600

    The Boudouard Equilibrium (K)


    C + CO2 <==> 2 CO

    0.500
    0.400
    0.300

    CO

    0.200
    0.100
    0.000
    0

    200

    400

    600

    800

    Temperature (K)

    1000

    1200

    1400

    1.000
    0.900
    0.800

    % CO and CO2

    0.700

    Carbon
    Dioxide

    0.600

    The Boudouard Reaction


    C + CO2 <==> 2 CO

    0.500

    10

    100

    atm

    0.400
    Carbon
    Monoxide

    0.300
    0.200
    0.100
    0.000
    0

    200

    400

    600

    800

    Temperature - C

    1000

    1200

    1400

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