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Integral Method of Analysis of Data

The document discusses the interpretation of batch reactor data for first-order and second-order reversible chemical reactions. It provides the integral rate equations that can be used to analyze experimental conversion-time data and test the reaction order. Examples of problems solving for the time required to reach a given conversion are also presented.

Uploaded by

Imran Unar
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© © All Rights Reserved
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Download as PPTX, PDF, TXT or read online on Scribd
421 views

Integral Method of Analysis of Data

The document discusses the interpretation of batch reactor data for first-order and second-order reversible chemical reactions. It provides the integral rate equations that can be used to analyze experimental conversion-time data and test the reaction order. Examples of problems solving for the time required to reach a given conversion are also presented.

Uploaded by

Imran Unar
Copyright
© © All Rights Reserved
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
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Chemical Engineering Department
Chemical Reaction Engineering (CH314)
Lecture-11

Interpretation of Batch
Reactor Data

Dr. Imran Nazir Unar


Lecture Objectives

Discussion on:
• Integral Method of Analysis of Data
• First Order Reversible Reactions.
• Second Order Reversible Reactions.
• Problems
INTERPRETATION OF BATCH REACTOR DATA
First-Order Reversible Reactions
 Though no reaction ever goes to completion, we can consider many reactions to
be essentially irreversible because of the large value of the equilibrium constant.
 These are the situations we have examined up to this point.

 Let us now consider reactions for which complete conversion cannot be


assumed.
 The simplest case is the opposed unimolecular-type reaction

(53a)
INTERPRETATION OF BATCH REACTOR DATA
First-Order Reversible Reactions
 Starting with a concentration ratio M = CR0/CA0 the rate equation is:

(53b)

 Now at equilibrium dCA/dt = 0. Hence from Eq. 53 we find the fractional


conversion of A at equilibrium conditions to be:

 and the equilibrium constant to be


INTERPRETATION OF BATCH REACTOR DATA
First-Order Reversible Reactions
 Combining the above three equations we obtain, in terms of the equilibrium
conversion,

 With conversions measured in terms of XAe, this may be looked on as a pseudo


first-order irreversible reaction which on integration gives

(54)
INTERPRETATION OF BATCH REACTOR DATA
First-Order
 
Reversible Reactions
 A plot of -In(1 – XA/XAe) vs. t, as shown in
Fig. 1, gives a straight line.
 The similarity between equations for the
first-order irreversible and reversible
reactions can be seen.
 Thus, the irreversible reaction is simply
the special case of the reversible reaction
in which CAe = 0, or XAe = 1, or Kc = .
Fig. 1: Test for the unimolecular type
reversible reactions of Eq. 53.
INTERPRETATION OF BATCH REACTOR DATA
Second-Order Reversible Reactions
 For the bimolecular-type second-order reactions
(55a)

(55b)

(55c)

(55d)

 with the restrictions that CA0 = CB0 and CR0 = CS0 = 0, the integrated rate
equations for A and B are all identical, as follows

(56)
INTERPRETATION OF BATCH REACTOR DATA
Second-Order Reversible Reactions
 A plot as shown in Fig. 2 can then
be used to test the adequacy of
these kinetics.

Reversible Reactions in General


 For orders other than one or two,
integration of the rate equation becomes
cumbersome.

 So if Eq. 54 or 56 is not able to fit the data,


then the search for an adequate rate Fig. 2: Test for the reversible bimolecular reactions of Eq. 55

equation is best done by the differential


method.
INTERPRETATION OF BATCH REACTOR DATA
Problem 3.1:
 If -rA = – ( dCA/dt) = 0.2 mol/liter. sec when CA = 1 mol/liter, what is the rate of

reaction when CA = 10 mol/liter? Note: the order of reaction is not known.


Solution
 From nth Order Equation:  By putting value of K and CA =10, we get
  𝑑𝐶 𝐴 𝑛 𝑛
−𝑟 𝐴=− = 𝑘 𝐶 𝐴 = 0.2(10)
𝑑𝑡

  𝑟 =− 𝑑𝐶 𝐴 𝑛
− 𝐴 = 𝑘 𝐶 𝐴 = 0.2
𝑑𝑡
𝑛
  𝑘 𝐶 𝐴 =0.2  NOTE: Since the reaction order ‘n’, and hence
concentration dependency, is not known we are
 By putting value of CA
𝑛
not given enough information to find the rate of
  𝑘 ( 1 ) = 0.2 reaction at the higher concentration.
  𝑘 =0.2
INTERPRETATION OF BATCH REACTOR DATA
Problem 3.2:
 Liquid A decomposes by first-order kinetics, and in a batch reactor 50% of A is
converted in a 5-minute run. How much longer would it take to reach 75%
conversion?
Solution  Putting the values (XA=0.5 and t=5), we
 We are given: can calculate K.
  𝐴 → 𝑃𝑟𝑜𝑑𝑢𝑐𝑡  − ln ⁡(1 − 0.5 )= 𝑘 (5 )
at
    𝑡 =5 𝑚𝑖𝑛𝑢𝑡𝑒𝑠  − ln ⁡(0.5 )= 𝑘 (5 )
 We need to find:  𝑘 =0.139 1 / min
 𝑡 =? ? ? 𝑓𝑜𝑟 𝑋 𝐴 =0.75
 Equation which will be used is of  Putting the values (XA=0.75 and k), we
first order kinetics with for calculating t.
Conversion term. −
  ln ⁡(1 − 0.75)=( 0.139 ) 𝑡
𝑑𝐶 𝐴   𝑑𝑋 𝐴
𝑟 𝐴=− = 𝑘 𝐶 𝐴− 𝑟 𝐴 = − =𝑘 (1 − 𝑋 𝐴 )
𝑑𝑡 𝑑𝑡
𝐶𝐴  𝑡 =9.973 𝑚𝑖𝑛𝑢𝑡𝑒𝑠
𝑙𝑛 =𝑘𝑡 − ln ⁡(1 − 𝑋𝐴 )=𝑘𝑡
𝐶 𝐴0
INTERPRETATION OF BATCH REACTOR DATA
Problem 3.3:
 Repeat the previous problem (3.2) for second-order kinetics?
Solution

Solve Yourself
Thank You

13

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