Scribd Logo
Upload

Welcome to Scribd!

  • 93 views

    CBRE Module 1 Part 3

    Uploaded by

    Ronima Rajive
    The document discusses methods for analyzing kinetic data from batch chemical reactions. It describes two main methods: 1. The integral method guesses a rate equation form and tests it by integrating and comparing predicted concentration-time curves to experimental data. 2. The differential method directly tests the fit of the rate equation derivatives to experimental rate data without integration. The document outlines examples of applying the integral method to analyze first-order, second-order, and third-order reactions, and provides exercises to determine complete rate equations using both methods.

    Copyright:

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

    CBRE Module 1 Part 3

    Uploaded by

    Ronima Rajive
    93 views38 pages
    The document discusses methods for analyzing kinetic data from batch chemical reactions. It describes two main methods: 1. The integral method guesses a rate equation form and tests it by integrating and comparing predicted concentration-time curves to experimental data. 2. The differential method directly tests the fit of the rate equation derivatives to experimental rate data without integration. The document outlines examples of applying the integral method to analyze first-order, second-order, and third-order reactions, and provides exercises to determine complete rate equations using both methods.

    Original Description:

    .

    Copyright

    © © All Rights Reserved

    Available Formats

    PDF, TXT or read online from Scribd

    Did you find this document useful?

    Is this content inappropriate?

    The document discusses methods for analyzing kinetic data from batch chemical reactions. It describes two main methods: 1. The integral method guesses a rate equation form and tests it by integrating and comparing predicted concentration-time curves to experimental data. 2. The differential method directly tests the fit of the rate equation derivatives to experimental rate data without integration. The document outlines examples of applying the integral method to analyze first-order, second-order, and third-order reactions, and provides exercises to determine complete rate equations using both methods.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    93 views38 pages

    CBRE Module 1 Part 3

    Uploaded by

    Ronima Rajive
    The document discusses methods for analyzing kinetic data from batch chemical reactions. It describes two main methods: 1. The integral method guesses a rate equation form and tests it by integrating and comparing predicted concentration-time curves to experimental data. 2. The differential method directly tests the fit of the rate equation derivatives to experimental rate data without integration. The document outlines examples of applying the integral method to analyze first-order, second-order, and third-order reactions, and provides exercises to determine complete rate equations using both methods.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    You are on page 1of 38

    MODULE 1

    EVALUATION OF RATE EQUATION


    BT 303- CHEMICAL AND BIOLOGICAL REACTION ENGINEERING
    FIFTH SEMESTER BIOTECHNOLOGY AND BIOCHEMICAL ENGINEERING
    SREE CHITRA THIRUNAL COLLEGE OF ENGINEERING

    REFERENCE: CHEMICAL REACTION ENGINEERING BY OCTAVE LEVENSPIEL


    Chapter 3: Interpretation of Batch Reactor Data
    Two step procedure: to determination of the
    rate equation
    1. The concentration dependency is found at fixed
    temperature
    2. The temperature dependence of rate constants, yielding
    the complete rate equations

    Equipment for Kinetic data measurement


    1. Batch reactor- primarily used for homogeneous reaction
    2. Flow reactor- primarily used for heterogeneous reaction
    Determination of extent of reaction
    • By following the concentration of a given component.
    • By following the change in some physical property of the fluid, such as the
    electrical conductivity or refractive index.
    • By following the change in total pressure of a constant-volume system.
    • By following the change in volume of a constant-pressure system.
    Procedures for analysing kinetic data

    Integral Method Differential Method


    • We guess a particular form of rate • We test the fit of the rate expression
    equation and after appropriate to the data directly and without any
    integration and mathematical
    manipulation integration.
    • Predict the plot of a certain • However, since the rate expression is a
    concentration function versus time differential equation,
    should yield a straight line
    • The data are plotted, and if a • we must first find (l/V)(dNldt) from
    reasonably good straight line is the data before attempting the fitting
    obtained procedure.
    • The rate equation is said to
    satisfactorily fit the data
    Integral method Differential method

    • It is easy to use • It is used in complicated


    • It is recommended for testing situations
    specific mechanisms or simple • It requires larger data set
    rate expressions or when the • It is used to develop or build up
    data are scattered that we a rate equation to fit the data
    cannot find the derivatives
    • It can only test particular rate
    mechanism or form

    INTEGRAL ANALYSIS IS ATTEMPTED FIRST, THEN ONLY DIFFERENTIAL ANALYSIS


    CONSTANT VOLUME BATCH REACTOR
    • Here we are referring to the volume of the reaction mixture and not
    the volume of reactor.
    • It means a CONSTANT- DENSITY REACTION SYSTEM
    • Most liquid phase & all gas phase reaction occurring in constant
    volume bomb fall in this class
    In a constant volume system the measure of
    reaction rate of component i
    • The rate of reaction of any component is given by the rate of change
    of its concentration or partial pressure
    • For gas reactions with changing numbers of moles, a simple way of
    finding the reaction rate is to follow the change in total pressure π of
    the system
    The conversion XA
    • The fractional conversion or • Suppose that,
    the fraction of any reactant, NA0 – initial amount of A in the
    say A converted to something reactor at time t=0
    else or the fraction of A
    reacted away NA –amount present at time t
    The conversion of A in constant
    volume system
    𝑁𝐴𝑜−𝑁𝐴
    XA =
    𝑁𝐴0
    XA =
    𝑁𝐴𝑜−𝑁𝐴
    𝑁𝐴0
    =
    At time t= 0, the number of moles of A (NA0 )= 100 moles
    At time t= 10s, the number of moles of A (NA ) = 60 moles

    100−60
    Then, the conversion of A after 10s = XA = = 0.4 ( 40% of A has been converted)
    100

    The fraction of A which is not converted after 10s = 1- XA = 0.6 (60% of A has not been converted)
    Integral Method of Analysis of Data
    Integral Method of Analysis of Data
    • The integral method of analysis always puts a particular rate equation
    to the test by integrating and comparing the predicted C versus t
    curve with the experimental C versus t data.
    • If the fit is unsatisfactory, another rate equation is guessed and
    tested. This procedure is shown and used in the cases next treated.
    • It should be noted that the integral method is especially useful for
    fitting simple reaction types corresponding to elementary reactions
    SOME EXAMPLES
    Irreversible Unimolecular-Type First-Order
    Reactions
    • A plot of In (1 - XA) or In (CA/Cao) v
    s. t, as shown in Fig. 3.1, gives a
    straight line through the origin for
    this form of rate of equation.
    • If the experimental data seems to
    be better fitted by a curve than by
    a straight line, try another rate
    form because the first-order
    reaction does not satisfactorily fit
    the data.
    Irreversible Bimolecular-Type Second-Order
    Reactions
    Consider the reaction
    Irreversible Trimolecular-Type Third-Order
    Reactions.
    • Consider the reaction
    Develop the Integrated kinetic expression
    using Integral method of analysis
    CONSTANT VOLUME SYSTEM

    1. Irreversible bimolecular type second order reaction (A+B P)


    2.Irreversible bimolecular type second order reaction (2A P)
    3.Irreversible bimolecular type second order reaction (A+2BP)
    4.Irreversible trimolecular type third order reaction (A+B+DP)
    5.Irreversible trimolecular type third order reaction (3AP)
    6.Irreversible reactions in series ARS . The reaction rate constant k1
    and k2 respectively
    7.Irreversible reactions in parallel AR , AS. The reaction rate
    constant k1 and k2 respectively
    8. Homogeneous catalysed reaction AR and A+CR+C ,where the
    reaction rate constant k1 and k2 respectively

    9. Autocatalytic reactions A+RR+R

    10. First order reversible reaction A R, where the forward reaction


    rate constant are k1 and backward reaction rate constant are k2
    respectively
    Reactant A decomposes in a Batch reactor
    A Products
    REPORTED DATA

    Time t,s Concentration Ca, mol/l


    0 10
    20 8
    40 6
    60 5
    120 3
    180 2
    300 1
    CALCULATED DATA

    Time t,s Concentration Ca, ln Cao/Ca 1/Ca


    mol/l
    0 10 0 0.1
    20 8 0.2231 0.125
    40 6 0.511 0.167
    60 5 0.6931 0.200
    120 3 1.204 0.333
    180 2 1.609 0.5
    300 1 2.303 1
    ln Cao/Ca vs t should give a straight line if it is
    following first order kinetics
    1/Ca vs t should give a straight line if it is
    following second order kinetics
    Differential Method of Analysis of Data
    Differential Method of Analysis of Data
    • The differential method of analysis deals directly with the differential
    rate equation to be tested, evaluating all terms in the equation
    including the derivative dCldt, and testing the goodness of fit of the
    equation with experiment.
    PROCEDURE
    Further Exercises
    Consider the reaction of 2AB+C, for which the rate equation is of the
    general form –rA= f(k,Ca) and does not follow elementary kinetics. Based
    upon the time versus concentration data below from a batch reaction
    experiment, determine the complete kinetic rate form, that is, determine
    the order for Ca, in the rate equation and determine the values of k
    (kinetic rate constant). All rate data is at single temperature

    Time (min) 0 15 30 40 50 70 100


    Ca (mol/l) 0.1 0.063 0.05 0.045 0.041 0.035 0.03
    OUTCOMES
    • How to determine the rate expression from Concentration vs time data
    • Understanding extent of reaction
    • Integral and Differential method of analysis

    You might also like