CHAPTER 2:

Conversion and Reactor

Sizing
Objective: To size CSTRs and PFRs given the rate of reaction as a function
of conversion and to calculate the overall conversion and reactor
volumes for reactors in series

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Reaction Engineering
 Previously, we learn about…..
• Definition:
– Rate of rxn
– Rate equation
– Rate of generation
• Mole balance eqn of reactors:
– Batch
Refer Reactor
– Continuous Flow Mole Balance
• CSTR Table!
• PFR(Tubular)
• PBR

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 Summary of Reactor Mole Balances

Note: Steady state – cond. Do not change with time

No spatial variations – perfect mixing
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Today’s Lecture:

1) Evaluate mole balance eqn to

size reactors
2) How???: Design
Equation
• Define conversion
• Rewrite balance eqn in terms of
conversion
3) Size the reactor
• Find vol to achieve specified
conversion (Given –rA = f(X))
• Compare CSTRs and PFRs
• Overall conversions for reactor to be
arranged in series

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 PART 1:
Derive Design Equation

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 2.1 Conversion
Stoichiometric
Coefficients (lowercase) Chemical species
Consider general rxn: (uppercase)

Take A as basis, divide by a; per

mole of
A basis

How many moles of C formed, when every moles of A is consumed????

Therefore, conversion;

Irreversible rxn: max X = 1 (complete conversion)

Reversible rxn: max X = equilib X (Xmax = Xe)
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 2.2 Design Equations for Batch Reactor
NA0 = initial no of moles of A
Consider this equation: NA0X = total no of moles of A that has reacted

No of moles of A remained after time, t

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Rearrange:

For batch, when there

no spatial variation
(perfect mixing)

Mole balance from Eqn 1-5:

A is disappearing, hence multiply Eqn 2-5 with -1

* Note also rate of disappearance

can be given like this!

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How long the reactant should be in a reactor to achieve desired X???

No of moles of A after conversion X;

Different with respect to time, t:

𝑑𝑋 Differential form
Note: There are 𝑁𝐴𝑂 =−𝑟𝐴 𝑉 (2-6)
missing variables 𝑑𝑡 of design equation
in text book!

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For a constant vol batch reactor, V = Vo

Rearrange Eqn 2-5

To yield

To find the time for a desired X, rearrange Eqn 2-6

Integrate with limit

starting with t= 0 and
X=0

Integral form of
design equation
 2.3 Design Equations for Flow Reactors
• For batch, X increase
with t
• For cont – flow, X
increases with V

Consider this equation:

FA0 = Molar flow rate of A fed
FA0X = Molar flow rate of A
reacting in syst

Molar flow rate of A leaving the syst:

Rearrange, to yield:
Important note!
Entering molar flow rate (mol/s) Entering conc (mol/dm3) Entering vol flow (dm3/s)

Liquid phase (usually in

terms of molarity for eg:
2 mol/dm3)

For a gas system (on ideal

gas)

The entering molar flow rate is:

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Lets go through one example! Use ideal gas law to
calculate CA0 and FA0
Example 2-1

Solution:

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Since pure A enters, total P and partial P are same!

Entering molar flow rate, FA0 can be calculated by:

Will be used in Examples

2-2 until 2-5

Note that:

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 2.3.1 CSTR (Backmix Reactor or Vat)
For a perfect mixing (no spatial variations in reactor).
Recall CSTR mole balance (Eqn 1-7)

Apply to;

And rearrange;

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Simplify;

Hence, the vol. necessary to achieve desired X;

For a perfectly mixed reactor:

• Exit composition = Inside
composition
• - rA is evaluated at exits!

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 2.3.2 Tubular Flow Reactor (PFR)
Consider mole balance Eqn of PFR
Multiply both sides with -1

We know;

Differentiate

Substitute into Eqn 2-14, to yield;

Differential form of
design equation
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To find the vol. necessary to achieve desired X,

Integrate Eqn. 2-15 with

limit starting with V = 0
and X = 0

(2-16)

To do integration for design eqn of:

• Batch (Eqn 2-9)
Need to know
• Plug flow reactor (Eqn 2-16)
how –rA varies
To evaluate CSTR design eqn (2-13): with CA (also X)

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 2.3.3 Packed-Bed Reactor
Design eqn. derivation is similar to PFR (Refer Eqn 2-15 and 2-16)

Substitute Eqn 2-12 into 1-15

To yield;
PBR
design equation
If the pressure
drop, P = 0; Eqn
2-17 can be
integrate with X
= 0 at W = 0

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Can calc W necessary for desired X, when P = 0 With pressure drop???
Reaction Engineering