Chapter 1

Chemical Reaction Engineering Group, Universiti Teknologi Malaysia
Rate Law and Mole Balance

MAHADHIR BIN MOHAMED
Dept. of Chemical Engineering
Faculty of Chemical Engineering

Learning Outcomes

Rate of reaction

General mole balance equation

Batch reactor

Continuous-stirred tank reactor (CSTR)

Plug-flow reactor (PFR)

Packed-bed reactor (PBR)
Contents
Week Topic Learning Outcome
1 Rate Law & Mole Balances

Basic definitions

General mole balance
equation

Batch, continuous and
industrial reactors
It is expected that students are able to:

Write rate law, define reaction order
and activation energy for elementary
reactions.

Define the rate of chemical reaction for
basic chemical reactor.

Write the mole balance equation to a
batch reactor, CSTR, PFR, and PBR.

Describe reactors used in industries.
Learning Outcomes
Chemical Identity
A chemical species is said to have reacted when it has
lost its chemical identity.

The identity of a chemical species is determined by the
kind, number, and configuration of that species'
atoms.

3 ways a chemical species can lose its chemical
identity:
Decomposition
Combination
Isomerization

Rate of Reaction
The reaction rate is the rate at which a species looses its
chemical identity per time per unit volume.

The rate of a reaction can be expressed as the rate of
disappearance of a reactant or as the rate of appearance of
a product.

Consider species A:
B A
r
A
= the rate of formation of species A per unit volume
-r
A
= the rate of a disappearance of species A per unit volume
r
B
= the rate of formation of species B per unit volume
Rate of Reaction (Cont.)
The RATE of a reaction is the SPEED at which a reaction
happens.

If a reaction has a low rate that means the molecules combine
at a slower speed than a reaction with a high rate.

Reaction rate (r ) is a function of concentration, for example

) (time rate reaction specific k
reaction) order (2 kC r
reaction) order (1 kC r
-
nd 2
A A
st
A A
=
=
=
RATE = SPEED
General Mole Balance Equation
moles/time moles/time moles/time moles/time
dt
dN
F G F
out in
= +
G
F
in
F
out
System volume, V
[Rate flow in] + [Generation] [Rate flow out]=[accumulation]
Unit: moles/time
General Mole Balance Equation
G
j
= r
j
V
j
moles/time moles/(time.volume) volume
dV r G
V
j j
}
=
Generally, the rate of reaction varies
from point to point in the reactor:
The general mole balance equation:
time
moles

time
moles
.volume
e time.volum
moles

time
moles
dt
dN
F r.dV F
out in
= +
}
From here, design equation
for different types of the
reactors can be developed.
Types of Reactors
Depending on loading/unloading of the reactor
Batch Semi-batch Continuous flow
Continuous stirred tank reactor (CSTR)
Packed bed reactor (PBR)
Plug flow reactor (PFR)/ Tubular
Types of Reactors (Cont.)
Batch
Continuous Flow
CSTR
Packed bed
catalyst
Tubular/Plug Flow
Batch Reactor
Batch Reactor
For small-scale operation.
Testing new processes.
Manufacturing expensive products.
Processes difficult to convert to
continuous operation.
Batch Reactor
Pfaudlers Batch reactor
Batch Reactor
dt
dN
dV r F F
j
V
i j j0
= +
}
0
dt
dN
dV r
j
V
j
=
}
Assuming perfect mixing, reaction rate the same through the volume
rV
dt
dN
j
=
}
=
A0
A1
N
N
A
A
1
V r -
dN
t or
Continuous Flow Reactor
Continuous-stirred Tank Reactor
Pfaudlers CSTR reactor
Continuous-stirred Tank Reactor
dt
dN
dV r F F
j
V
i j j0
= +
}
=0, operation in a steady mode
Assuming perfect mixing, so
Reaction rate is the same through the volume.
Conditions of exit stream are the same as in the reactor.
V r F F
j j j0
=
j
j j0 j
j
j j0
r
vC C v
or
r
F F
V
=
Tubular /Plug Flow Reactor
Usually operates in steady state
Primarily used for gas reactions
Easy to maintain, no moving parts
Produce highest yield
Temperature could be difficult to
control, hot spots might occur
No radial variations in velocity,
concentration temperature, or reaction rate
Reactants
Products
Reaction continuously progresses along the length of the
reactor, so the concentration and consequently the reaction rate
varies in axial direction.

In the model of PFR the velocity is considered uniform and there
are no variation of concentration (and reaction rate) in the radial
direction.

If it cannot be neglected we have a model of Laminar Flow Reactor.
dt
dN
dV r F F
j
V
j j j0
= +
}
No accumulation 0
No radial variations in velocity,
concentration temperature, or reaction rate
Reactants
Products
Design Equation for PFR
dV
dF
r
j
j
=
j
j
r
dF
dV=
} }
= =
j0
j
j
j0
F
F
j
j
F
F
j
j
r -
dF
r
dF
V
0 V r F F
i j j0
= A +
V
F F
r
V | j V V | j
i

=
+
For every slice of volume:
dV
dF
r
j
i
=
From here, a volume required to produce given molar flow rate of
product can be determined.
Packed-bed Reactor
Here the reaction takes place on
the surface of catalyst.
Reaction rate defined per unit
area (or mass) of catalyst.
r
A
= mol A reacted/ s. g catalyst
Packed-bed Reactor
W catalyst weight coordinate
As in the PFR case, we can calculate design equation now in terms
of catalyst weight coordinate.
0 W r F F
i W W | A W | A
= A +
A +
W
F F
r
W W | A W | A
i
A
=
A +
dW
dF
r
A
'
A
=
Reactor Mole Balance: Summary
Reactor Comment
Mole Balance
Differential Form
Algebraic
Form
Integral
Form
CSTR No spatial variations
Well mixed - const.
C, T, rxn rate.
No accumulation
Steady state

A
A A0
r
F F
V
=

Batch
No spatial variations
F
in
= F
out
=0
V = constant
V r
dt
dN
A
A
=
}
=
A0
A1
N
N
A
A
1
V r -
dN
t
PFR Steady state
A
A
r
dV
dF
=
}
=
A0
A1
F
F
A
A
1
r -
dF
V
PBR Steady state
'
A
A
r
dW
dF
=
}
=
A0
A1
F
F
'
A
A
1
r -
dF
W
Tutorial 1
The reaction
A B
Is to be carried out isothermally in a continuous-flow reactor.
Calculate both CSTR and PFR reactor volume necessary to consume
99% of A (i.e., C
A
= 0.01C
A0
) when the entering molar flow rate is 5
mol/h, assuming the reaction rate r
A
is:
(a) r
A
= k with k = 0.05 mol/h.dm
3
(b) r
A
= kC
A
with k = 0.0001 s
-1

(c) r
A
= kC
A
2
with k = 3 dm
3
/mol.h
The entering volumetric flow rate is 10 dm3/h.
[Note: F
A
= C
A
. For a constant volumetric flow rate v = v
0
, then F
A
= C
A
0
.
Also, C
A0
= F
A0
/
0
= (5 mol/h)(10 dm3/h) = 0.5 mol/dm3.]
Solution 1
CSTR
A
A A0
r
F F
V
=
Mole balance:
3
A
hr.dm
mol
0.05 k r = = Rate law:
Volume of the CSTR = 99.0 dm
3
( )
3
3
A
A0 A0
99.0dm
hr.dm
mol
0.05
0.99
hr
mol
5
r
0.01F F
V = =
=
Combine:
Solution 1
PFR
A
A
r
dV
dF
=
Mole balance:
3
A
hr.dm
mol
0.05 k r = = Rate law:
Volume of the PFR = 99.0 dm
3
} }
=
=
V
0
F
F
A
A
dV dF
k
1
k
dV
dF
A
A0
Combine:
| | ( ) 0.99
hr.dm
mol
0.05
hr
mol
5
F 0.01F
k
1
V
3
A0 A0
= =

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Chemical Reaction Engineering Group, Universiti Teknologi Malaysia

Rate Law and Mole Balance

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