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    Group 1 - ALEJANO - DEZOLLER - GRATIS - MIXED FLOW REACTOR-5

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    John Frix Alejano
    This document describes an experiment conducted in a virtual mixed flow reactor to study reaction kinetics. Various parameters like flow rates, concentrations, space time and conversions were measured at different conditions. Equations to calculate various parameters are provided. The goal was to determine the rate constant from the experimental data but a curved line was obtained instead of the expected straight line, preventing determination of the rate constant.

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    Group 1 - ALEJANO - DEZOLLER - GRATIS - MIXED FLOW REACTOR-5

    Uploaded by

    John Frix Alejano
    23 views13 pages
    This document describes an experiment conducted in a virtual mixed flow reactor to study reaction kinetics. Various parameters like flow rates, concentrations, space time and conversions were measured at different conditions. Equations to calculate various parameters are provided. The goal was to determine the rate constant from the experimental data but a curved line was obtained instead of the expected straight line, preventing determination of the rate constant.

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    Group 1_ALEJANO_DEZOLLER_GRATIS_MIXED FLOW REACTOR-5

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    This document describes an experiment conducted in a virtual mixed flow reactor to study reaction kinetics. Various parameters like flow rates, concentrations, space time and conversions were measured at different conditions. Equations to calculate various parameters are provided. The goal was to determine the rate constant from the experimental data but a curved line was obtained instead of the expected straight line, preventing determination of the rate constant.

    Copyright:

    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    23 views13 pages

    Group 1 - ALEJANO - DEZOLLER - GRATIS - MIXED FLOW REACTOR-5

    Uploaded by

    John Frix Alejano
    This document describes an experiment conducted in a virtual mixed flow reactor to study reaction kinetics. Various parameters like flow rates, concentrations, space time and conversions were measured at different conditions. Equations to calculate various parameters are provided. The goal was to determine the rate constant from the experimental data but a curved line was obtained instead of the expected straight line, preventing determination of the rate constant.

    Copyright:

    © All Rights Reserved
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    of 13

    1

    Experiment No. 5. Mixed Flow Reactor


    REACTION KINETIC STUDIES IN A MIXED FLOW REACTOR
    Alejano, John Frix G., Dezoller Ann Gwyneth G., Gratis Kyra Nicole

    TABLE OF CONTENTS
    TABLE OF TABLES
    TABLE OF FIGURES

    ABSTRACT

    Keywords:

    INTRODUCTION

    Objectives

    REVIEW OF THEORY OF LITERATURE

    METHODOLOGY

    This section contains the materials, apparatuses, methods, and processes used in
    the experiment in a virtual laboratory setting. The procedure included here is integrated to
    accommodate the varied setting of a virtual lab.

    Materials, Apparatus, and Equipment

    Two substances namely, ethyl acetate (C4H8O2) and NaOH were used to conduct
    the experiment with respective concentrations of 0.02M and 0.02M. The virtual
    laboratory from by Virtual Labs provided the simulation comprising of apparatus and
    equipment needed for the experiment. These are, rotameters, valves, pumps, ethyl acetate
    and NaOH storage basins, a mixed flow reactor and a conductivity meter probe.
    2

    Procedure

    1. Click on the simulation section to enter the simulation window.


    2. The window contains 4 tabs on the upper portion, click on the first tab titled
    “demo”.
    3. There you will see the built in instructions on how to proceed. Click on the “Label
    tab” to see the Experimental set-up.
    4. Configure the Experimental set-up by entering the 3rd tab “setup”.
    5. In the setup phase, set the reaction volume to 10L.
    6. In the same page, set the stock concentration of ethyl acetate and NaOH to 0.02M.
    7. Set the reactor temperature to 30 degrees Celsius.
    8. Click the “Experiment tab” to start the experiment.
    9. In this experimental set-up, two handwheels can be turned, one for the ethyl
    acetate (C4H8O2) and the other for sodium hydroxide (NaOH). Turn the
    handwheel for ethyl acetate up to a reading of 2.5 LPH.
    10. Turn the handwheel for NaOH until the message “Check if Molar Ratio is greater
    than or equal to 1” disappears.
    11. Keep the flowrate of ethyl acetate as a constant, while changing/increasing the
    flowrate of NaOH.
    12. Do this while clicking the “add current readings” button each time you increase
    the flowrate of NaOH.
    13. See the results by entering “Observations” button.

    RESULTS AND DISCUSSION


    This section of the paper provides the results and discussions of the experiment
    using the data gathered during the virtual simulation experiment.
    Table 1. Calculating Space time

    Flowrate of Flowrate of Total Flowrate


    EA (Va) NaOH (Vb) Q=Va+Vb Space time
    SI no. (LPH) (LPH) (LPH) (min)
    1 2.5 5 7.5 80.00
    2 2.5 5.63 8.13 73.80
    3 2.5 6.25 8.75 68.57
    4 2.5 6.88 9.38 63.97
    5 2.5 7.5 10 60.00
    6 2.5 8.13 10.63 56.44
    7 2.5 8.75 11.25 53.33
    8 2.5 10 12.5 48.00
    Space time for different total flowrates due to increasing flowrate of NaOH were
    calculated using a reactor volume of 10L. From the data gathered, it can be inferred that
    3

    as flowrate of NaOH is increased causing the total flowrate to also increase, causes the
    space time to decrease. Some of the data are collected from the virtual simulation. While
    others are calculated using the following equations:

    Equation 1. Total Volumetric Flowrate


    Q=Va+ Vb
    where: Q = total volumetric flowrate.
    Va = volumetric flowrate of ethyl acetate.
    Vb = volumetric flowrate of NaOH.

    Equation 2. Space time


    V
    space time=
    Q
    where: V = reactor volume.
    Q= Total volumetric flowrate.

    Table 2. Calculating CB

    Conductivit Conc. Of
    y meter NaOH in
    reading reaction
    (mS/cm) mix, CB
    Cao Cbo M (YT) Y28 (gmol/lit)
    0.0067 0.0133 2 25.4 26.14 0.0067
    0.0062 0.0138 2.252 29.09 29.93 0.0077
    0.0057 0.0143 2.5 32.34 33.28 0.0086
    0.0053 0.0147 2.752 35.21 36.23 0.0094
    0.0050 0.0150 3 37.67 38.76 0.0100
    0.0047 0.0153 3.252 39.89 41.05 0.0106
    0.0044 0.0156 3.5 41.82 43.03 0.0111
    0.0040 0.0160 4 45.14 46.45 0.0120
    Starting at a molar ratio of 2 and using the calculated values of Cao and Cbo,
    conductivity readings can be recorded and determined using the virtual simulator.
    Ultimately, CB was then calculated. The following equations were used:
    4

    Equation 3. Ethyl acetate initial concentration.


    Va∗Cas
    Cao=
    Q
    where: Cao = Initial concentration of ethyl acetate.
    Va = volumetric flowrate of ethyl acetate.
    Cas = stock solution of ethyl acetate.
    Q = Total volumetric flowrate.

    Equation 4. NaOH initial concentration.


    V b∗C b s
    C b o=
    Q
    where: Cbo = Initial concentration of NaOH.
    Vb = volumetric flowrate of ethyl acetate.
    Cbs = stock solution of NaOH.
    Q = Total Volumetric Flowrate.

    Equation 5. Molar ratio.


    Cbo
    M=
    Cao
    where: M = molar ratio
    Cbo = initial concentration of NaOH.
    Cao = initial concentration of ethyl acetate.

    Equation 6. Conductivity meter reading at 28 degrees Celsius.

    Y 28= [ 1+0.0145 ( T −28 ) ] YT

    where: Y28 = conductivity meter reading at 28 degrees Celsius


    T = temperature of reactor.
    YT= conductivity meter reading at T.
    5

    Equation 7. Concentration of unreacted NaOH


    CB=0.00026 Y 28−0.000063

    where: CB= concentration of unreacted NaOH


    Y28= conductivity reading at 28 degrees Celsius

    Table 3. Data for plotting.

    CA Xa Y axis X axis
    0.0001 0.990123 99.26078 0.2
    0.0000 0.996771 245.8879 0.184502
    0.0000 0.996882 212.7288 0.171429
    0.0000 0.996611 167.5331 0.159915
    0.0000 0.996954 163.3814 0.15
    0.0000 0.99649 125.8816 0.14111
    0.0000 0.996757 122.7974 0.133333
    0.0000 0.996561 96.48628 0.12
    The CA or the concentration of ethyl acetate on the mixture at steady state were
    found to be near zero values, signifying that all of ethyl acetate was consumed, backed up
    by the Xa data which amounts to values that are close to one. The Y-axis and X-axis
    columns are included for generating a graph that will be used to determine the rate
    constant k. Y-axis and X-axis, CA and Xa values are calculated using the following
    equations:

    Equation 8. Y axis
    Xa
    Y − AXIS :
    (1−Xa)(M −Xa)
    where: Xa = degree of conversion
    M = molar ratio

    Equation 9. X-axis
    X −AXIS : CaoT
    where: Cao = initial concentration of ethyl acetate.
    T = temperature of reactor.
    6

    Equation 10. Concentration of unreacted ethyl acetate


    CA=CAo−(CAo−CB)

    where: CA= concentration of unreacted ethyl acetate


    CAo= initial concentration of ethyl acetate in ethyl acetate-NaOH
    CB= concentration of unreacted NaOH
    Equation 11. Extent of conversion of ethyl acetate
    CA
    XA=1−
    CAo
    where: XA= extent of conversion of ethyl acetate

    Figure 1. Determining rate constant


    In theory the points should generate a straight line to determine the rate constant
    by calculating for the slope of the line. In this case, A curved line was generated instead,
    making it unviable for determining the rate constant. An error in the simulation or by
    human error could be the cause why.
    7

    CONCLUSION
    RECOMMENDATIONS

    Figure 2. Plot of f(XA) vs time


    8

    APPENDICES
    APPENDIX A. SAMPLE CALCULATIONS

    1. Total Flowrate calculation.


    Q=Va+ Vb
    Given:
    Va= 2.5 LPH
    Vb = 5LPH

    Reqd:
    Q

    Soln:
    Q = 2.5+5
    = 7.5 LPH

    2. Space time calculation


    V
    space time=
    Q

    Given:
    V = 10L
    Q = 7.5 LPH or 0.125 LPM

    Reqd:
    Space time

    Soln:
    Space time = 10/0.125
    = 80 mins
    9

    3. Cao calculation
    Va∗Cas
    Ca 0=
    Q
    Given:
    Va = 2.5LPH
    Cas = 0.2 mol/L
    Q = 7.5 LPM

    Reqd:
    Cao

    Soln:
    Cao = 2.5*0.02/7.5
    = 0.0067 M

    4. Cbo calculation
    Vb∗Cbs
    C b 0=
    Q

    Given:
    Vb = 5 LPH
    Cbs = 0.02 M
    Q = 7.5 LPH

    Reqd:
    Cbo

    Soln:
    Cbo = 5*0.02/7.5
    = 0.013 M
    10

    5. Molar ratio Calculation


    Cbo
    M=
    Cao
    Given:
    Cbo = 0.013 M
    Cao = 0.0067 M

    Reqd:
    M

    Soln:
    M= 0.013/0.0067
    =2

    6. Conductivity meter reading at 28 degrees Celsius


    Y 28= [ 1+0.0145 ( T −28 ) ] YT
    Given:
    T = 30 degrees Celsius
    YT = 25.4 mS/cm

    Reqd:
    Y28

    Soln:
    Y28 = [1+0.0145 (30-28)] 25.4
    = 26.14 mS/cm

    7. CB calculation
    CB=0.00026 Y 28−0.000063
    Given:
    11

    Y28 = 26.14 mS/cm

    Reqd:
    CB

    Soln:
    CB = 0.00026 *26.14 – 0.000063
    = 0.0067 M

    8. CA calculation
    Ca=Cao−Cbo+ CB
    Given:
    Cao = 0.0067M
    Cbo = 0.0133 M
    CB = 0.0067

    Reqd:
    Ca

    Soln:
    Ca = 0.0067+0.0133-0.0067
    =0

    9. Extent of conversion calculation:


    Ca
    Xa=1−( )
    Cao
    Given:
    Ca = 0
    Cao = 0.0067
    12

    Reqd:
    Xa

    Soln:
    Xa = 1 – 0/0.0067
    Xa=~1

    APPENDIX B. DOCUMENTATION
    13

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