DR.
MAZATUSZIHA AHMAD
Contents
Topic Outcomes
Conversion
Design Equations
Application of the Design Equations
Some Further Definitions
Topic Outcomes
Week Topic Learning Outcome
1 Conversion and Reactor It is expected that students are able to:
Sizing
• Define conversion and space time for
• Reactor design equations basic reactor
in terms of conversions
• Write the mole balances in terms of
• Graphical methods to conversion for a batch reactor, CSTR,
reactor sizing PFR, and PBR
• Reactors in series • Compute size of reactor in series or
parallel arrangement
Conversion
Choose one of the reactants as the basis of calculation and relate
the other species involved in the reaction to this basis.
Consider the general equation,
aA bB
cC dD
Lowercase letters –stoichiometric coefficients.
If we are interested in species A we can define reactant A as the basis
of calculation.
b c d
A B
C D
a a a
The basis of calculation is most always the limiting reactant. The
conversion of species A in a reaction is equal to the number of
moles of A reacted per mole of A fed.
Conversion
Conversion is defined as the number of moles of a species (A)
that have reacted per mole of (A) fed into the system.
moles of A reacted
XA
moles of A fed
For irreversible reactions, the maximum value of
conversion, X, is that for complete conversion, i.e. X = 1.0.
For reversible reactions, the maximum value of conversion,
X, is the equilibrium conversion, i.e. X = Xe.
Conversion in the Reactors
Batch Flow system
NA0 NA FA0 FA
XA XA
NA0 FA0
Batch Reactor
moles of A reacted NA0 NA
XA XA
moles of A fed NA0
Moles of A Moles of A reacted
Moles of A
reacted = • Moles of A fed
fed
(consumed)
= NA0 • X
Now the number of moles of A that remain in the reactor
after a time t, NA can be expressed in terms of NA0 and X;
NA NA0 NA0 X
NA NA0 1 X
Batch Reactor (Cont.)
dNA
rA V
dt
(Perfect mixing)
dNA
rA V
dt
For batch reactor, we are interested in determining how long to leave
the reactants in the reactor to achieve a certain conversion X.
dNA dX
0 NA0 (Since NA0 is constant)
dt dt
dX
NA0 rA V (Differential form)
dt
Batch Reactor (Cont.)
For a constant volume batch reactor: (V = V0)
1 dNA dNA /V0 dC A
V0 dt dt dt
dC A
rA Constant volume batch reactor
dt
dX
dt NA0
rA V
X
dX Batch time, t, required to
t NA0
0
rA V achieved a conversion X.
Flow Reactor Design Equations
For continuous-flow systems, time usually increases
with increasing reactor volume.
moles of A fed moles of A reacted
FA0 X
time moles of A fed
FA0 FA0 X FA
Outlet flow rate
Inlet molar Molar flow rate at which A is
flow rate consumed within the system
FA FA0 1 X
FA0 C A0 ν 0 Volume / time (volumetric flow rate, dm3/s)
Moles /volume
Flow Reactor Design Equations
For liquid systems, CA0 is usually given in terms of
molarity (mol/dm3).
For gas systems, CA0 can be calculated using gas laws.
Partial pressure
PA0 y A0P0
C A0
RT 0 RT 0
Entering molar flow rate is
yA0 = Entering mole fraction of A
P0 = Entering total pressure (kPa)
y A0P0
FA 0 ν0C A0 ν0 CA0 = Entering conc’n (mol/dm3)
RT 0
R = 8.314 kPa dm3/mol K
T0 = Entering temperature (K)
CSTR (Design Equation)
Design equation and conversion
FA0 FA
V
rA
FA FA0 FA0. X
Substitute into design equation
F A0 .X
V
rA
Because the reactor is perfectly mixed, the exit composition
is identical to the composition inside the reactor.
PFR (Design Equation)
Design equation and conversion
dFA
rA , and FA FA0 FA0 .X
dV
Differentiate and substitute
dFA dX FA0 dX
0 FA0 rA
dt dt dV
Separate the variables V = 0 when X = 0
F dX X
dX
dV A0 V FA0
rA 0
rA
PBR (Design Equation)
Similar derivation, but W instead of V
Design equation and conversion
dFA
rA '
dW
F A0 dX
FA FA0 1 X - r'A
dW
dFA FA0 dX
X
dX
W FA0
0
rA'
From this equation we can find weight of catalyst W required
to achieved the conversion X.
Note: rA’=gmol/s.g(catalyst)
Reactor Design Equations: Summary
Reactor Mole Balance: Summary
Mole Balance Algebraic Integral
Reactor Comment
Differential Form Form Form
Batch • No spatial variations
dNA NA0 dNA
• Fin = Fout =0 rA V t1
• V = constant dt NA1 - rA V
CSTR • No spatial variations
• Well mixed - const. F A0 FA
C, T, rxn rate. ― V ―
• No accumulation rA
• Steady state
PFR • Steady state dFA F A0 dFA
rA V1
dV F A1 - rA
PBR • Steady state dFA F A0 dFA
rA' W1
dW F A1 - rA'
By sizing a chemical reactor we mean we're either
detering the reactor volume to achieve a given
conversion or determine the conversion that can be
achieved in a given reactor type and size.
For flow system, i.e. CSTR and PFR, reactor size can
also be determined using a graph.
Given -rA as a function of conversion,-rA=f(X), one can
size any type of reactor. We do this by constructing a
Levenspiel plot.
Application of the Design Equations
Continuous-Flow Reactors
CSTR PFR
F A0 F A0
rA rA X
VCSTR = FA0X/-rA VPFR= ∫FA0/-rA dX
0
X X
Reactor Sizing
Reactor volume required is always reciprocal in rA & proportional
to X .
dX
X
F A0 .X
PFR: V FA0 CSTR: V
0
rA rA
Levenspiel plot:
Example 1
We consider the isothermal gas-phase
isomerization reaction
X -rA (mol/dm3.s)
AB 0.0 0.45
0.1 0.37
The laboratory measurements given in Table
show the chemical reaction rate as a function of 0.2 0.30
conversion. 0.4 0.195
The temperature was 500K (440°F), the total
pressure 830kPa (8.2kPa), and the initial 0.6 0.113
charge of pure A. 0.7 0.079
Given molar flow rate FA0=0.4mol/s/s 0.8 0.05
Calculate the volume necessary to achieve
80% conversion in
a. CSTR
b. PFR
Solution (CSTR)
Data provided: FA0=0.4mol/s, conversion, needed X = 0.8 and rA
at X=0.8 is 0.05
Based on the table the Levenspiel plot can be constructed
x 0.0 0.1 0.2 0.4 0.6 0.7 0.8
mol
rA 3 0.45 0.37 0.30 0.195 0.113 0.079 0.05
m s
1 m3 s
2.22 2.70 3.33 5.13 8.85 12.7 20
rA mol
FA0 3
m 0.89 1.08 1.33 2.05 3.54 5.06 8.0
rA
FA0 .X
The design equation for CSTR VCSTR
rA
Solution (CSTR)
mol
0.4 0.8
VCSTR s
mol
0.05 3
m .s
6.4m3 6400dm3 6400L
Solution (PFR)
The design equation for PFR
FA0 dX
rA
dV
FA0 dX
dV
rA
V??
V X
Solve using Simpson rule
FA0 dX
0 dV 0 rA
X X
dX 1
V FA0 or V FA0 dX Integral form
0
rA 0
rA
Simpson rule: Fogler, 4th Ed. Appendix A.4 p. 1013
Process data
x 0.0 0.1 0.2 0.4 0.6 0.7 0.8
mol
rA 3 0.45 0.37 0.30 0.195 0.113 0.079 0.05
m s
1 m3 s
2.22 2.70 3.33 5.13 8.85 12.7 20
rA mol
FA0 3
r
m 0.89 1.08 1.33 2.05 3.54 5.06 8.0
A
Area under plot data, using 1/3 Simpson’s Rule
X2
h
f(X)dX f(X 0 ) 4f(X 1 ) f(X 2 )
X0
3
X
withh ΔX
2
Using 1/3 Simpson’s Rule
0.8
1 0.4 h h
0 rA dX 3 2.22 4(5.13) 20
5.696
X
1
V FA0 dX
0
rA
mol m3 .s
0.4 5.699
s mol
2.280m3 /2280l
Reactors in Series
The exit of one reactor is fed to the next one.
Given –rA as function of conversion, one can design any
sequence of reactors.
Valid only for NO side stream
moles of A reacted up to pointi
Xi
moles of A fed to first reactor
FAi FA0 FA0 X i
PFR-CSTR-PFR
X=0 X1
FA0 FA1
V1
PFR
V2 X2 X3
FA1 FA0 FA0 X 1 CSTR
FA2 FA3
V3
PFR
FA2 FA0 FA0 X 2
FA3 FA0 FA0 X 3
CSTR-PFR-CSTR
FA0 X 1
V1
rA1
X2
FA0
V2 X rA2 dX
1
FA0(X X2 )
V3 3
rA3
Example 2
For the two CSTRs in series, 40% X=0
FA0
conversion is achieved in the first
reactor. What is the total volume of the X1
FA1
two reactors necessary for 80% overall
conversion of the species A entering V1
CSTR1
reactor 1? (If FA2 is the ,molar flow rate of A
exiting from the last reactor in the V2 X2
FA2
sequence, FA2 = 0.2 FA0). FA0=0.867 mol/s CSTR2
x 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.85
mol
rA 3
0.0053 0.0052 0.0050 0.0045 0.0040 0.0033 0.0025 0.0018 0.00125 0.001
dm s
1 dm3s
189 192 200 222 250 300 400 556 800 1000
rA mol
Solution 2
1000
CSTR2
-1/rA (dm3.s/mol)
800
600
400
CSTR1
200
0
0.0 0.2 0.4 0.6 0.8 1.0
Conversion, X
Solution 2 (Cont.)
Reactor 1 Reactor 2
When, X= 0.4 X= 0.8
1 1
250dm3 .s/mol 800m3 .s/mol
rA rA
Then, Then,
1 1 1
V1 FA0 X 0.867 0.4 V2 FA0 X 2 X 1
r
A1 r
A1 rA1
mol dm s 3
mol dm3s
0.867 250 0.4 0.867 800 0.8 - 0.4
s mol s mol
V1 86.7dm3(liters) V1 277.4dm3(liters)
V V1 V2 364dm3(liters)
What is the volume necessary to achieve 80%
conversion of the species A entering in one CSTR
reactor ?
Please make a comparison in terms of volume
between CSTRs in series and one CSTR . What is
your conclusion ?
The sum of the two CSTR reactor volumes in
series is less than the volume of one CSTR
to achieve the same conversion.
Example 3
For the two PFRs in series, 40%
conversion is achieved in the first
reactor. What is the total volume of the
two reactors necessary for 80% overall
conversion of the species A entering
reactor 1? FA0=0.867 mol/s
Ans: Total volume = 225dm3
x 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.85
mol
rA 3 0.0053 0.0052 0.0050 0.0045 0.0040 0.0033 0.0025 0.0018 0.00125 0.001
m s
1 m3 s
189 192 200 222 250 300 400 556 800 1000
rA mol
Some Further Definitions
Relatives Rates of Reactions
Space Time
Space Velocity
Relatives Rates of Reaction
The relationship can be expresses directly from the
stoichiometry of the reaction,
aA bB cC dD
Lowercase letters –stoichiometric coefficients.
Taking A as a basis of calculation, we divide with the
stoichiometric coefficient of A, we get;
b c d
A B
C D
a a a
Every mole of A that is consumed = c/a moles of C appear .
or
Rate of formation of C = c/a (rate of disappearance of A)
Every mole of A that is consumed = c/a moles of C appear .
or
Rate of formation of C = c/a (rate of disappearance of A)
c c
r ( r ) (r )
C a A a A
rA rB rC rD
a b c d
Very important relationship for the relatives rates of reaction.
Space Time,
Is the time necessary to process one reactor volume of fluid
based on entrance conditions.
The time it takes for this fluid to enter the reactor completely is
the space time. It also called (holding time or mean
residence time).
V volume
time
0 volume/time
Where 0 is entrance volumetric rate
Space Time, (Cont.)
For reactions in which the rate depends only on the concentration,
of one species [-rA = f(CA)] it is easy to report –rA as function of
concentration rather than conversion.
The special case in PFR when , v ν
FA0 FA C A0 0 C A C A0 C A
X
FA0 C A0 0 C A0
When, X 0, C A C A0
When, X X, C A C A
Differentiating yields,
dC A
dX
C A0
Space Time, (Cont.)
dC A
dX
C A0
X
dX
PFR: V FA0
0
rA
C A0
dC A
V 0
CA
- rA
C A0
dC A
CA
- rA
CA1 CA0
Figure x
The curve in Figure x shows a typical curve of the
reciprocal reaction rate as a function of concentration for
an isothermal reaction carried out at a constant volume.
• The area under the
curve gives the
space time
necessary to reduce
the concentration of A
from CA0 to CA
CA1 CA0
Figure x
Space Velocity (SV)
0 1
SV SV
V
Two type of SV commonly used in industry :
GHSV Gas Hourly Space Velocity, h-1
v0 measured at standard temperature and
pressure (STP)
LHSV Liquid Hourly Space Velocity, h-1
v0 at some reference temperature
