L20

Chemical Reaction Engineering

Till Now
Basic design equation applied to
the batch reactor, CSTR, and
PFR in terms of
Conversion, X
Concentration, C
A
Molar flow, F
A

Finding rate law:
Consider the following constant volume reaction
withdraw samples of A as a function of time.
Mole Balance:
Rate Law:
Stoichiometr
y:
Combine:
Integral Method
Assume the order, , say zero ( = 0)


Conclusion: If the data do not fall on a straight line for =0 then go
for 1
st
order reaction.
Analysis:
If the data do not fall on a straight line then what should you do?

Guess 1st Order (= 1)
Guess 2nd Order (= 2)
Example
Suppose your data point looks like
this picture shown in side.
Then we should stop guessing reaction orders and proceed
to either the differential method of analysis or to regression.
Differential Method
Taking the natural log of rate
equation:
alfa and k can be found from the linear
fit
(- dC
A
/ dt) what does it mean?
It is nothing but slope of the concentration vs time graph.
How can you determine the value of (- dC
A
/ dt) from CA
Vs t data?
a) Graphical
b) Polynomial
c) Finite Difference
d) Non-Linear Least Squares
Analysis

Graphical
Plot C
A
vs t

Determine the slope of this curve at suitably
selected concentration values. And this is
nothing but (- dC
A
/ dt)
Polynomial (using Polymath)
C
A
= a
o
+ a
1
t + a
2
t
2
+ a
3
t
3
+a
4
t
4


Finite Difference
Rate Law Methods
Integral Method Differentiation
No extra computation is
required
Numerical differentiation is
required
Trial and Error is required No trial and Error
Less sensitive to
Measurement error
More sensitive to
Measurement error
If order or reaction is known,
it is straight forward to find
rate constant
It is straightforward to find
both, the order and rate
constant
What Did We Learn Today?
Rate Law
Method of Integration
Method of Differentiation



Write Two things that you
understood
Write Two things that you didnt
understand