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    Measures

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    joker prince
    The document discusses expressing reaction rates and concentrations in terms of molar flow rates rather than conversion for cases like membrane reactors and multi-step reactions. It shows converting a rate law and mole balances to molar flow rate terms for an example elementary gas reaction. The key equations relate the concentration of each species to the total molar flow rate and partial molar flow rates of individual species.

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    Measures

    Uploaded by

    joker prince
    8 views3 pages
    The document discusses expressing reaction rates and concentrations in terms of molar flow rates rather than conversion for cases like membrane reactors and multi-step reactions. It shows converting a rate law and mole balances to molar flow rate terms for an example elementary gas reaction. The key equations relate the concentration of each species to the total molar flow rate and partial molar flow rates of individual species.

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    The document discusses expressing reaction rates and concentrations in terms of molar flow rates rather than conversion for cases like membrane reactors and multi-step reactions. It shows converting a rate law and mole balances to molar flow rate terms for an example elementary gas reaction. The key equations relate the concentration of each species to the total molar flow rate and partial molar flow rates of individual species.

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    © All Rights Reserved
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    8 views3 pages

    Measures

    Uploaded by

    joker prince
    The document discusses expressing reaction rates and concentrations in terms of molar flow rates rather than conversion for cases like membrane reactors and multi-step reactions. It shows converting a rate law and mole balances to molar flow rate terms for an example elementary gas reaction. The key equations relate the concentration of each species to the total molar flow rate and partial molar flow rates of individual species.

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    67

    R3.4 Expressing Concentrations in Terms


    Other Than Conversion
    As we shall see later in the book, there are some instances in which it is much
    more convenient to work in terms of the number of moles ( N A , N B ) or molar
    flow rates ( F A , F B , etc.) rather than conversion. Membrane reactors and
    gas-phase multiple reactions are two such cases where molar flow rates rather
    than conversion are preferred. Consequently, the concentrations in the rate
    laws need to be expressed in terms of the molar flow rates. We start by recall-
    ing and combining Equations (3-40) and (3-41):
    FT 0 P0
    C T 0  -------
    -  --------------- (3-40)
    v0 Z 0 RT 0

    Used for: ⎛ v0 ⎞ P T
    • Multiple rxns v  ⎜ -------
    -⎟ F T -----0 ----- (3-41)
    • Membranes ⎝ T 0⎠
    F P T0
    • Unsteady state
    to give for the case of an ideal gas (Z  1),
    F T P0 T
    v  -------- ----- ----- (R 1-1)
    CT 0 P T 0
    the concentration species A is
    F
    C A  ------A
    v
    Substituting for v gives

    F P T
    C A  C T 0 ------A ----- -----0 (R 1-2)
    F T P0 T

    In general ( j  A, B, C, D, I)

    F P T
    C j  C T 0 ------j ----- -----0 (3-45)
    F T P0 T

    with the total molar flow rate given as the sum of the flow rates of the individ-
    ual species:
    FT  FA  FB  FC  FD  FI (R3.1-3)
    The molar flow rate of each species Fj is obtained from a mole balance on
    each species.
    68 Chap.

    Example R3–1 PFR Mole Balances in Terms of Molar Flow Rates

    Reconsider the elementary gas reaction discussed in Example 3-5.


    ⎯⎯→ 2NO
    N2O4 ←⎯⎯ 2
    ⎯⎯→ 2B
    A ←⎯⎯
    The reaction is to be carried out isothermally ( T  T 0 ) and isobarically ( P  P0 ) in
    a PFR. Express the rate law and mole balances in terms of the molar flow rates.

    Solution
    dF A
    Mole balance: ----------  r A (RE3-1.1)
    dV

    dF B
    ---------  r B (RE3-1.2)
    dV

    2
    C
    Rate law: r A  k A C A  ------B- (RE3-1.3)
    KC

    rA r
    Stoichiometry: -  ----B-
    -------
    1 2
    Then
    r B  2r A (RE3-1.4)

    Combine:
    Using Equation (3-45) to substitute for the concentrations of A and B when T  T 0
    and P  P0 , Equation (E3-9.3) becomes

    ⎛F ⎞ CT 0 2
    ⎛ F B⎞ 2
    r A  k A C T 0 ⎜ ------A⎟  -------- ⎜ ------⎟ (RE3-1.5)
    ⎝ FT ⎠ K C ⎝FT⎠

    where the total molar flow rate is just the sum of the flow rates of A and B:
    FT  FA  FB (RE3-1.6)

    and the total concentration of the entrance to the reactor (P0 , T 0 ) is calculated from
    the equation
    P0
    C T 0  --------- (RE3-1.7)
    RT 0

    Combining Equations (E3-9.5) and (E3-9.6), we obtain

    CT 0 ⎛ FB ⎞
    2
    dF A FA
    ----------  r A  k AC T 0 -------------------
    - -------- ⎜ --------------------⎟ (RE3-1.8)
    dV F A  F B K C ⎝ F A  F B⎠
    Sec. R3.1 Expressing Concentrations in Terms Other Than Conversion 69

    and combining Equations (RE3-1.2), (RE3-1.4), and (RE3-1.8) gives

    CT 0 ⎛ FB ⎞
    2
    dF B FA
    ---------  r B  2r A  2k AC T 0 -------------------
    - -------- ⎜ --------------------⎟ (RE3-1.9)
    dV F A  F B K C ⎝ F A  F B⎠

    Equations (RE3-1.8) and (RE3-1.9) can now be solved numerically, preferably by a


    software package such as Polymath or Matlab. (See Chapter 4.)
    Polymath will combine all these equations for us and insert the parameter
    values in the appropriate spots. The Polymath program and outputs are shown
    in Table PRS3D-1 and Figure PRS 3D-1.
    TABLE PRS3D-1. POLYMATH RESULTS

    Calculated values of the DEQ variables

    Variable initial value minimal value maximal value final value


    V 0 0 80 80
    Fa 0.72 0.4211651 0.72 0.4211651
    Fb 0 0 0.5976697 0.5976697
    Kc 0.06 0.06 0.06 0.06
    Cao 0.072 0.072 0.072 0.072
    Cto 0.072 0.072 0.072 0.072
    Ft 0.72 0.72 1.0188349 1.0188349
    ka 0.4 0.4 0.4 0.4
    Cb 0 0 0.0422367 0.0422367
    Ca 0.072 0.0297633 0.072 0.0297633
    ra -0.0288 -0.0288 -1.24E-05 -1.24E-05
    rb 0.0576 2.479E-05 0.0576 2.479E-05
    rate 0.0288 1.24E-05 0.0288 1.24E-05

    ODE Report (RKF45)

    Differential equations as entered by the user


    [1] d(Fa)/d(V) = ra
    [2] d(Fb)/d(V) = rb

    Explicit equations as entered by the user


    [1] Kc= 0.06
    [2] Cao = 0.072
    [3] Cto = Cao
    [4] Ft = Fa + Fb
    [5] ka = 0.4
    [6] Cb = Cto*(Fb/Ft)
    [7] Ca = Cto*(Fa/Ft)
    [8] ra = -ka*(Ca-Cb^2/Kc)
    [9] rb = -2*ra
    [10] rate = -ra

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