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  • Eq Const Calc

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    dhavalesh
    4 views8 pages
    The document contains equilibrium constants for 3 reactions (Rxn-1, Rxn-2, Rxn-3) from a Hysys simulation at different reactor feed temperatures. It then shows the relationships between equilibrium constant and temperature can be modeled with polynomials or power functions. The author plans to incorporate these relationships into a dynamic simulator to calculate equilibrium constants based on temperature and determine reaction rates.

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    The document contains equilibrium constants for 3 reactions (Rxn-1, Rxn-2, Rxn-3) from a Hysys simulation at different reactor feed temperatures. It then shows the relationships between equilibrium constant and temperature can be modeled with polynomials or power functions. The author plans to incorporate these relationships into a dynamic simulator to calculate equilibrium constants based on temperature and determine reaction rates.

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    © All Rights Reserved
    Download as XLSX, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    4 views8 pages

    Eq Const Calc

    Uploaded by

    dhavalesh
    The document contains equilibrium constants for 3 reactions (Rxn-1, Rxn-2, Rxn-3) from a Hysys simulation at different reactor feed temperatures. It then shows the relationships between equilibrium constant and temperature can be modeled with polynomials or power functions. The author plans to incorporate these relationships into a dynamic simulator to calculate equilibrium constants based on temperature and determine reaction rates.

    Copyright:

    © All Rights Reserved
    Download as XLSX, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    of 8

    Reactor Feed Temp

    Eq Const from
    Hysys Rxn-1

    Eq Const from
    Hysys Rxn-2

    Eq Const from
    Hysys Rxn-2

    140
    160
    180
    200
    220
    240
    260
    280
    300
    320
    340
    360
    380
    400
    420
    440
    460
    480
    500
    520
    540

    9.22
    9.13
    9.05
    8.97
    8.89
    8.82
    8.75
    8.69
    8.63
    8.56
    8.51
    8.45
    8.39
    8.34
    8.29
    8.24
    8.19
    8.14
    8.09
    8.04
    8.00

    19.52
    18.54
    17.70
    16.97
    16.33
    15.76
    15.26
    14.81
    14.41
    14.05
    13.72
    13.43
    13.16
    12.92
    12.69
    12.49
    12.30
    12.13
    11.97
    11.83
    11.69

    8.32
    7.21
    6.31
    5.59
    5.00
    4.51
    4.09
    3.74
    3.44
    3.19
    2.96
    2.76
    2.59
    2.44
    2.30
    2.18
    2.07
    1.97
    1.88
    1.80
    1.72

    Equations for 1st three reactions


    Rxn -1
    Rxn - 2
    Rxn -3

    y = 3E-06x2 - 0.0047x + 9.8149


    y = 129.68x-0.384
    y = 2926.4x-1.183

    Where "Y" is equilibrium constant and "x" is feed temperature

    My Approach of Modeling
    I am planing to put these relations into our dynamic simulator and it will calculate the eq constants
    But the problem is that there are a total of 15 reactions incorporating both the main reactions and

    Eq Const from Hysys Rxn-1


    9.50
    9.00

    f(x) = - 0.0029989296x + 9.560776479


    R = 0.9916136459

    8.50

    Eq Const from Hysys Rxn-1


    Linear (Eq Const from Hysys
    Rxn-1)

    8.00
    7.50
    7.00
    100 150 200 250 300 350 400 450 500 550 600

    alculate the eq constants based on variation in reactor feed temperature, this eq constant will then determin
    the main reactions and side reactions, so this becomes tedious job.

    m Hysys Rxn-1

    nst from Hysys

    Eq Const from Hysys Rxn-2


    25.00
    20.00
    15.00

    f(x) = 4.62593442750202E-005x^2 - 0.0495163041x +Eq


    25.1764373414
    Const from Hysys Rxn-2
    R = 0.9957058799
    Polynomial (Eq Const from
    Hysys Rxn-2)

    10.00
    5.00
    0.00
    100 150 200 250 300 350 400 450 500 550 600

    q constant will then determine the rate of forward reaction and rate of backward reaction.

    -2

    .1764373414
    Const
    from Hysys Rxn-2

    ynomial (Eq Const from


    ys Rxn-2)

    rd reaction.

    Eq Const from Hysys Rxn-2


    9.00
    8.00
    7.00

    f(x) = 2926.3598677269 x^-1.1829034053


    R = 0.9998629361

    6.00

    Eq Const from Hysys Rxn-2

    5.00

    Power (Eq Const from Hysys


    Rxn-2)

    4.00
    3.00
    2.00
    1.00
    0.00
    100 150 200 250 300 350 400 450 500 550 600

    Rxn-2

    Eq Const from Hysys Rxn-2


    Power (Eq Const from Hysys
    Rxn-2)

    Eq Const from Hysys Rxn-1


    9.50

    9.00

    f(x) = 2.51748746485507E-006x^2 - 0.004710821x + 9.8148748804


    R = 0.9997568396

    8.50
    Eq Const from Hysys Rxn-1
    Polynomial (Eq Const from Hysys Rxn-1)

    8.00

    7.50

    7.00
    100

    150

    200

    250

    300

    350

    400

    450

    500

    550

    600

    Eq Const from Hysys Rxn-2


    25.00

    20.00
    f(x) = 129.6787676437 x^-0.3842506332
    R = 0.998906343

    15.00
    Eq Const from Hysys Rxn-2
    Power (Eq Const from Hysys Rxn-2)

    10.00

    5.00

    0.00
    100

    150

    200

    250

    300

    350

    400

    450

    500

    550

    600

    Eq Const from Hysys Rxn-2


    9.00

    8.00

    f(x) = 2926.3598677269 x^-1.1829034053


    R = 0.9998629361

    7.00

    6.00

    Eq Const from Hysys Rxn-2

    5.00

    Power (Eq Const from Hysys Rxn-2)


    4.00

    3.00

    2.00

    1.00

    0.00
    100

    150

    200

    250

    300

    350

    400

    450

    500

    550

    600

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