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  • Tarea3 A01368290

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    Jocelyn Grisel García González
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    The reaction involves species A, B, and C proceeding in two elementary irreversible steps. The rate laws, mole balances, and differential equations describing the concentration changes are developed. The maximum concentration of B is calculated to occur at 9.45 hours. At this time, the selectivity is 1 and yield is 0.975, as the concentrations of A and B are equal and only a small fraction of A has reacted to form C.

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    ejercicio

    Original Title

    Tarea3_A01368290

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    The reaction involves species A, B, and C proceeding in two elementary irreversible steps. The rate laws, mole balances, and differential equations describing the concentration changes are developed. The maximum concentration of B is calculated to occur at 9.45 hours. At this time, the selectivity is 1 and yield is 0.975, as the concentrations of A and B are equal and only a small fraction of A has reacted to form C.

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    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
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    Download as docx, pdf, or txt
    39 views10 pages

    Tarea3 A01368290

    Uploaded by

    Jocelyn Grisel García González
    The reaction involves species A, B, and C proceeding in two elementary irreversible steps. The rate laws, mole balances, and differential equations describing the concentration changes are developed. The maximum concentration of B is calculated to occur at 9.45 hours. At this time, the selectivity is 1 and yield is 0.975, as the concentrations of A and B are equal and only a small fraction of A has reacted to form C.

    Copyright:

    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
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    of 10

    SOLUTION

    Reaction

    Elementary

    k1
    1A B−r 1 A=k 1CA
    →
    k2
    2B C−r 2 A=k 2 CB
    →
    Rate laws

    −r 1 A=k 1 CA
    −r 2 A=k 2 CB
    Net rate laws

    rA=r 1 A +r 2 A rA=r 1 A=k 1CA


    rB=r 1 B+r 2 B rB=r 1 B+ r 2 B=k 1 CA−k 2CB
    rC=r 1 C+r 2 C rC=r 2 C=k 2 CB
    Stoichiometry

    r1 A r 1B
    = −r 1 A=r 1 B=k 1CA
    −1 1
    r 2B r2C
    = −r 2 B=r 2 C=k 2 CB
    −1 1
    Design / Mole

    dCA dCB dCC


    =rA =rB =rC
    dt dt dt
    Couple

    dCA dCB dCC


    =k 1 CA =k 1 CA −k 2CB =k 2 CB
    dt dt dt
    Initial

    CA=CA 0=2 M t=0


    CB=0 t=0
    CC =0 t=0
    Computational

    (a) Plot and analyze the concentrations of species A, B, and C as a function of time.
    (b) Calculate the time to quench the reaction when the concentration of B will be a maximum.

    𝐶𝐵 𝑚𝑎x = 1.0863 𝑀

    (c) What are the overall selectivity and yields at this quench time?

    𝑡ime quench =3.0201h


    Selectivity B/C = 2.3
    Yield = 0.6970
    SOLUTION

    Data

    VCTR=1 dm3
    Ca 0=1 dm3
    FaO=1 dm 3
    Reaction

    k1
    A D
    →
    k2
    D U
    →

    Rate laws

    CA=CA 0(1− X)
    Ca 0=Ca 0−Ca 0 X
    ( Ca0−CA )
    x=
    Ca 0
    −r 1 A=k 1 CA
    −r 2 A=k 2 CB
    Mole Balance

    Fa 0−Fa
    V=
    −ra
    Rate Law

    −rA=k 1 Ca
    Concentration

    Ca 0 vo−Ca vo=V (−rA )


    Ca (1+tK 1 )=Ca 0
    Ca0
    CA=
    1+tK
    Mole Balance

    Rate Law

    −r 1 D=−r 1 A=K 1CA


    Net Law

    rD=r 1 D+r 2 D
    rD=k 1CA−k 1 CD
    Concentration

    CD vo−Co vo=V (−rD )


    −Co vo=−vrD
    tk 1 CA
    CD=
    1+ tK 2
    tK 1Ca 0
    CD=
    (1+tk 2)(1+tk 1)
    C

    Rate Law

    rU =−r 2 D=K 2CD


    Concentration

    CU vo−Co vo=V (−rU )


    −CU vo=−vrU
    CU =t (k 2 CD)
    tK 1Ca 0
    CU =tk 2
    (1+tk 2)(1+tk 1)
    Conversion

    Ca 0−Ca
    X=
    Ca0

    X=
    Ca 0− ( 1+tk
    Ca 0
    1)
    Ca 0
    tK 1
    X=
    1+tK 1
    Selectivity

    tk 1 Ca0 t 2k 1 k 2 Ca0
    S D/U=( )/(( ))
    ( 1+tk 2 )( 1+tk 1 ) ( 1+tk 2 ) ( 1+ tk 1 )
    D 1
    S =
    U tk 2
    Yield

    CD
    Y D=
    Ca0−CA
    tK 1 Ca0
    ( 1+tk 2 )( 1+tk 1 )
    Y D=
    Cao
    Ca 0−( )
    1+tk 1
    1
    Y D=
    1+tk 2
    t=1.0 min
    S D/ U=1/2
    X =0.5
    tk 1
    X=
    1+tk 1
    ( 1.0 ) k 1
    0.5=
    1+ ( 1.0 ) k 1
    k 1=1.0 min−1
    D 1
    S =
    U tk 2
    1 1
    =
    2 ( 1.0 ) k 2
    k 2=2min−1

    Computational

    SOLUTION

    Data

    V =500 dm3
    Ca 0=1.6 mol /dm 3
    B desired
    Elementary – Irreversible

    rA=−k 1CA
    rB=k 1 CA−k 2 CB
    rC=k 2 CC
    Mole Balance

    −rA=K 1 Ca
    −dCa
    =−rA
    dt
    −dCa
    =−k 1 CA
    dt
    Ca
    =e−k 1T
    Ca0
    Mole Balance

    −rB= ( −dCB
    dt )
    −dCB
    =k 2 CB−K 1CA
    dt
    dCB
    + K 2 CB=k 1 CA
    dt
    CB k1 −k1 T −k 2 T
    = (e −e )
    Ca0 k 2−k 1
    Mole Balance

    CC
    Ca0
    =1− ( )( )
    CA
    CA 0
    −
    CB
    CA 0

    =1+( ) −(
    k 2−k 1 )
    CC k1 −k2 T 21 −k 2T
    e e
    CA 0 k 2−k 1
    Time

    t=0
    CB=0

    CB=
    k 1CA 0
    ( k1
    k 2−k 1 k 2−k 1 )
    e−k 2T − ( 21
    k 2−k 1 )
    e−k 2 T

    Time max

    dCB
    dt
    =0= (
    k 1CA 0
    k 2−k 1
    ∈)( )
    k2
    k1

    ∈( )
    1 k2
    timemax=
    k 2−k 1 k 1

    ∈(
    0.4 )
    1 0.01
    timemax=
    0.01−0.4
    timemax=9.45 hr
    Selectivity

    Cb =Ca

    K1/K2 = Ca/CB = 0

    S=1

    Yield

    Y = rb/ra = k1CA-K2CB/K1CA

    Y = 1 – k2/1 cb/ca

    Cb=cA

    Y = 1-k2/k1

    Y = 0.975

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