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    Hezam Alasqah CHE 354 HW 7

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    The document discusses two problems involving batch and continuous stirred tank reactors (CSTR). 1) For the first problem, the document uses two methods - numerical integration and nonlinear regression - to determine the rate constant and order of reaction for a gas phase reaction in a batch reactor. 2) For the second problem, the document determines the rate constants and orders of reaction for a liquid phase reaction based on experimental data from two batch reactor runs. It then uses these values to calculate the dimensionless conversion for the reaction occurring in a CSTR.

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    Hezam Alasqah CHE 354 HW 7

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    The document discusses two problems involving batch and continuous stirred tank reactors (CSTR). 1) For the first problem, the document uses two methods - numerical integration and nonlinear regression - to determine the rate constant and order of reaction for a gas phase reaction in a batch reactor. 2) For the second problem, the document determines the rate constants and orders of reaction for a liquid phase reaction based on experimental data from two batch reactor runs. It then uses these values to calculate the dimensionless conversion for the reaction occurring in a CSTR.

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    CHE 354

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    The document discusses two problems involving batch and continuous stirred tank reactors (CSTR). 1) For the first problem, the document uses two methods - numerical integration and nonlinear regression - to determine the rate constant and order of reaction for a gas phase reaction in a batch reactor. 2) For the second problem, the document determines the rate constants and orders of reaction for a liquid phase reaction based on experimental data from two batch reactor runs. It then uses these values to calculate the dimensionless conversion for the reaction occurring in a CSTR.

    Copyright:

    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    16 views11 pages

    Hezam Alasqah CHE 354 HW 7

    Uploaded by

    Timeless
    The document discusses two problems involving batch and continuous stirred tank reactors (CSTR). 1) For the first problem, the document uses two methods - numerical integration and nonlinear regression - to determine the rate constant and order of reaction for a gas phase reaction in a batch reactor. 2) For the second problem, the document determines the rate constants and orders of reaction for a liquid phase reaction based on experimental data from two batch reactor runs. It then uses these values to calculate the dimensionless conversion for the reaction occurring in a CSTR.

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    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    of 11

    Hezam Alasqah

    CHE 354 HW 7

    Problem 1:
    A→B

    Gas phase occurring in batch reactor having a rate law of −r A =k C A∝

    mol
    C A 0=12
    L

    1st method: using the numerical method

    Excel Plot: ln (−ddtC ) vs. ln (C ¿ having a slope of ∝


    A
    A

    The design equation of the batch reactor is:


    d NA
    =r A V
    dt

    NA
    We know: C a=
    V
    Therefore:
    dCA
    =r A
    dt
    dCA ∝
    =−K A C A
    dt
    −d C A ∝
    ln ⁡( )=ln ⁡( K A C A )
    dt
    ln ( a . b )=ln ( a ) + ln ( b )
    Thus:
    −d C A
    ln ⁡( )=ln ⁡¿
    dt

    ln ( −d C A
    dt )
    =ln ( K A )+ ∝ln ⁡(C A )

    Compare with: y=ax+ b

    Where: a=∝=slope and ln ( K A )= y −intercept

    Now we will plot ln (−ddtC ) vs. ln(C ¿ using excel where ddtC
    A
    A
    A
    will be calculated using table

    7.3 in the course material as follows:


    For initial point:
    dCA
    dt | t =0
    =
    −3 C A 0 + 4 C A 1−C A 2
    2∆t

    Interstage points:
    dCA
    =
    1
    |
    [ C −C A (i −1) ]
    dt ti 2 ∆t A (i +1)

    Final point:
    dCA
    =
    1
    |[ C −4 C A 5 +3 C A 6 ]
    dt t 2 ∆ t A 4
    As we can see from the above plot:
    y=0.5985 x−2.1458
    Order of reaction = ∝=slope=0.5985
    ln ( K A )=b=−2.1458

    −2.1458 L
    K A =e =0.117
    mol . min

    2nd method: using nonlinear regression where the values of the difference between measured and
    calculated values are obtained, squared and minimized.

    dCA
    =−K A C A∝
    dt
    Thus:
    dCA
    =−K A dt
    CA∝
    Integrating this expression, we get:

    C A 01−∝ −C A 1−∝=(1−∝) K A t

    Thus:
    1−∝ 1−∝
    C A 0 −C A
    t=
    (1−∝) K A

    MATLAB
    % time span
    tspan=[0 5 10 15 20 25 30];
    C_A=[12 9.56 7.41 5.64 4.17 2.95 1.95];
    %time step
    h=10-5;
    der_C_A(1)=(-3*C_A(1)+4*C_A(2)-C_A(3))/(2*h);
    for i=2:1:length(tspan)
    if (i<7)
    temp=(C_A(i+1)-C_A(i-1))/(2*h);
    der_C_A(i)=temp;
    else
    der_C_A(i)=(C_A(i-3)-4*C_A(i-2)+3*C_A(i-1))/(2*h);
    end
    end

    % log function of C
    L=log(C_A);
    % log for der
    L_der=log(-1*der_C_A);
    Using Matlab Curve Fit

    Linear Regression

    Ln (dC/dt) = 0.5169 x Ln (C) – 1.98

    So alpha = 0.5169

    KA = e-1.98 = 0.138

    Using Power type Curve Fitting for 2 parameters in Matlab


    Non-Linear Regression

    t = -23.24 C0.3823 + 60.0


    so 1 – alpha = 0.3823
    alpha = 0.6177
    KA = 1/(23.24 x 0.3823) = 0.11255
    Problem 2:

    We have a liquid phase reaction occurring in a batch reactor as follows:


    A+ B →C + D
    mol
    1st run: C A 0=C B 0 =5
    L
    mol mol
    2nd run: C A 0=0.5 ∧C B 0=5
    L L

    a) This reaction follows this rate law:


    ∝ β
    −r A =K A C A C B
    We will assume that C B will remain constant during the second run C B 0 ≫C A 0

    Assuming: K ' =K A C Bβ 0

    Therefore, the rate law becomes:

    ' ∝ d CA
    −r A =K C A =
    dt

    ln ( −d C A
    dt ) '
    =ln K + ∝ln ⁡(C A )

    MATLAB

    tspan=[0 2 4 6 8 10]
    %time step
    h=2;
    car_1=[5 0.931 0.672 0.551 0.478 0.429];
    der_car_1(1)=(-3*car_1(1)+4*car_1(2)-car_1(3))/(2*h);
    for j=2:1:length(tspan)
    if (j<6)
    temp=(car_1(j+1)-car_1(j-1))/(2*h);
    der_car_1(j)=temp;
    end
    end
    der_car_1(6)=(car_1(4)-4*car_1(5)+3*car_1(6))/(2*h);
    L_der_car_1=log(-1*der_car_1);
    L_car_1=log(car_1);
    %Second data set
    car_2=[0.5 0.217 0.14 0.104 0.083 0.069];
    dcar_2(1)=(-3*car_2(1)+4*car_2(2)-car_2(3))/(2*h);
    for j=2:1:length(tspan)
    if (j<6)
    temp=(car_2(j+1)-car_2(j-1))/(2*h);
    dcar_2(j)=temp;
    end
    end
    dcar_2(6)=(car_2(3)-4*car_2(4)+3*car_2(5))/(2*h);
    L_der_car_2=log(-1*dcar_2);
    L_car_2=log(car_2);

    With Regression Function built-in in Matlab we can plot log(dC) vs log(C) for the second run

    We find the relation is linear with

    alpha = 1.794
    KA` = e -0.1284 = 0.88

    We know:

    -r A =K A C A∝ C B β
    Now, for the first run, we have:
    C A=C B

    Thus:
    1.782 β
    −r A =K A C A CA

    (1. 782+ β )
    −r A =K A C A

    dCA (1.782+β )
    =−K A C A
    dt
    d CA
    =−K A dt
    C A(1.782+β )

    Integrating, we have:

    C A 01−(1.782+ β) −C A 1−( 1.782+β )=[1−( 1.782+ β ) ] K A t

    −0.782−β −0. 782− β


    C A0 −C A =(−0. 782−β) K A t

    C A 0−0.782−β −C A−0. 782−β


    t=
    (−0.782−β) K A

    Using Power type Curve Fitting for 2 parameters in Matlab on run 1


    We find that
    1−α− β=−2.026=b
    −1
    =a=1.811
    (1−α −β) k A
    β = 1.244
    KA = 0.27224

    b) The design equation of the CSTR is as follows:

    x
    V =F A 0
    −r A

    F A 0=C A 0 V 0

    1.782 1.244
    −r A =K A C A CB

    We know:

    C A=C B
    C A=C A 0 −C A 0 X A=C A 0 (1−X A )

    1.782 1. 782 1.244 1.244


    −r A =K A C A 0 (1−X A ) CA 0 (1−X A )

    −r A =K A C A 03.026 ( 1−X A )3.026

    Thus:
    XA
    V =C A 0 V 0 3.026 3.026
    K AC A0 ( 1− X A )

    XA
    25=5∗2 3.026 3.026
    0.273 ¿5 ( 1− X A )

    XA
    2.5= 3.026
    35.6∗( 1− X A )

    XA
    89= 3.026
    ( 1−X A )

    X A =0.79

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