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Chapter 2
REACTION ENGINEERING 2.1 Definition of conversion
CKB 20104 2.2 Design equation for batch and flow systems
Chapter 2
2.3 Reactor in series
2.4 Space velocity and space time
A→ B A→ B
The conversion, XA or X is the number of moles/molar flow rate of reactant
A that have reacted per mole/molar flow rate of A fed to the system
To obtain INITIAL concentration of reactant A in GAS PHASE
Moles of A reacted Moles of A fed − Moles of A unreacted(outlet)
when given partial pressure of the reactant A or total initial XA = =
Moles of A fed Moles of A fed
pressure of the system F − FA
For molar flow rate, X A = A0 ⇒ FA = FA0 (1− X )
FA0
CA0 = Inlet concentration of A
yA0 = Inlet mole fraction of A N A0 − N A
PAO y AO PO Po = Inlet total pressure of system
For no. of moles, X A =
N A0
⇒ N A = N A0 (1− X )
C AO = = To = System temperature
• For irreversible reactions, maximum conversion is complete conversion,
X = 1.0 (100%)
RTO RTO PA0 = Inlet partial pressure of A
• For reversible reactions, maximum conversion is equilibrium conversion,
R = Ideal gas constant i.e. X = Xe
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2.2 Design Equations: Batch, CSTR And PFR Reactor Test Your Understanding
A
Identify B
which
reactor is
CSTR,
PFR, and
Batch
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2.2 Design Equations: Batch System 2.2 Design Equations: Batch System
A→ B
V
General Mole Balance dN A
FA0 − F A + ∫ rA . dV = 1
dt
In batch system, the conversion of reactant A, XA is a No spatial variations in reaction rate V
function of number of moles of A, NA. (Reaction rate constant throughout the ∫
rA dV = rAV 2
whole reactor volume) No variation in the rate of reaction throughout the reactor volume
NAo N A0 − N A
NA
XA = There is no inflow nor outflow during the reaction; dN A
N A0 (FA0 = FA = 0).Therefore the mole balance (Eq. 1)
rAV = 3
dt
becomes (Eq. 3):
or N A = N A0 − N A0 X For batch reactors, we are interested in determining how long time, t to
leave the reactants in the reactor to achieve a certain conversion, X
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2.2 Design Equations: Batch System 2.2 Design Equations: Batch System
2.2 Design Equation For Flow Reactors 2.2 Design Equation For Flow
(PFR & CSTR) Reactors (CSTR)
V
dN A
FAo A→ B General Mole Balance FA0 − F A + ∫ rA . dV =
dt
1
In flow system, the conversion of Operated at steady state (conditions do not change dN A
=0 2
with time)
FA reactant A, XA is a function of molar flow No accumulation of A within system dt
rate (moles/time) of A. No spatial variations in the rate of reaction V
∫r A dV = rAV 3
XA = FA0 − F A +rAV = 0
FAo FA FA0 Substitute Eq. 2 and Eq. 3 in Eq.1 to obtain 4
F − FA
or FA = FA0 − FA0 X Rearrange equation 4 to obtain DESIGN EQUATION V
CSTR
= A0 5
for CSTR −rA
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2.2 Design Equation For Flow 2.2 Design Equation For Flow
Reactors (CSTR) Reactors (PFR)
• We obtain the reactor volume, V necessary to achieve a conversion V
X in a CSTR. dN A
General Mole Balance FA0 − F A + ∫ rA . dV = 1
• For continuous system, time usually increases with increasing dt
reactor volume.
• The bigger the reactor, the more time it will take the reactants to dN A
flow completely through the reactor and thus, more time to react Operated at steady state (conditions do not change =0 2
with time) No accumulation of A within system
dt
Only Valid for Single CSTR
2.2 Design Equation For Flow 2.2 Design Equation For Flow
Reactors (PFR) Reactors (PFR)
Differentiate Eq. 3 with respect to V • Substitute Eq. 6 into Eq. 4 to obtain the design equation in
3 V dF A DIFFERENTIAL FORM
dF A = rA 4
FA0 − F A + ∫ rA .dV = 0 0− + rA = 0 Since reactant A is disappearing, therefore the rate of reaction must be
dV dV evaluated as rate of disappearance, -rA
4 6
dF A dFA dX dX
From the conversion equation We use the conversion equation to find the relation = rA AND = −FA0 FA0 = −rA 7
with conversion, X
dV dV dV dV
FA = FA0 − FA0 X 5
• From Eq.7 and integrated with the limits V = 0 when X = 0 to obtain the
Differentiate Eq. 5 with respect to V, to obtain design equation in INTEGRAL FORM
X
dFA dX dFA dX FA0 dX dX
= 0 − FA0 = −FA0 6 = dV VPFR = FA0 ∫ 8
dV dV dV dV −rA 0 −rA
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2.2 Design Equation For Flow 2.2 Design Equation For Flow System s
Reactors (PFR) (Applications For CSTR And PFR)
• We obtain the reactor volume, V necessary to achieve a The rate of reaction, –r A is always a function of the reactant concentrati on and
hence its conversion, X.
conversion X in a PFR.
Therefore, we can obtain –r A from the conversion, X. This is shown below in a
• For continuous system, time usually increases with increasing table for example.
reactor volume. Conversion, X 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
• The longer the reactor, the more time it will take the reactants to –rA
0.45 0.44 0.42 0.37 0.32 0.25 0.17 0.12 0.10
flow completely through the reactor and thus, more time to (mol/ dm3.s)
react Using this information, (–r A and X) we can determine the size (reactor volume,
V) of both CSTR and PFR.
X
dX
VPFR = FA0 ∫ FA0 X X
dX
−rA VCSTR = VPFR = FA0 ∫
0 −rA −rA
0
2.2 Design Equation For Flow Systems 2.2 Design Equation For Flow
(Applications For CSTR And PFR) Systems (Sizing A CSTR Using
Levenspiel Plot)
We can use the table to plot a graph called Levenspiel Plot. For CSTR sizing, its volume, V CSTR is equal to the area of a
The plot is either 1/–rA vs. X OR FA0/–rA vs. X rectangle on the Levenspiel plot (above and below the curve)
FA0 X X multiplied with FA0
dX
VCSTR = VPFR = FA0 ∫
−rA 0 −rA 1
𝑉"#$% = 𝐹() × 𝑋 ×
−𝑟(
1
FA0 1 𝐹() 𝑋 Only valid
−rA = for Single
( − rA ) −rA −𝑟( CSTR
X
0 X
X X Final conversion
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2.2 Design Equation For Flow 2.2 Design Equation For Flow
Systems (Sizing A CSTR Using Systems (Sizing A CSTR Using
Levenspiel Plot) Solution
Levenspiel Plot)
Example Given FA0 = 0.4 mol/s and X = 0.7
The reaction A à B is to be carried
833.33
out in a CSTR. Species A enters the 833.33
1
reactor at a molar flow rate of 0.4 1
−rA
mol/s. −rA
X
Using the Levenspiel Plot, calculate X
0.7
the volume necessary to achieve 70% 0.7
2.2 Design Equation For Flow 2.2 Design Equation For Flow
Systems (Sizing A CSTR Using Systems (Sizing A CSTR Using
Table) Table)
Solution
Conversion, –rA
We can also use the Table X (mol/dm3.s)
3
Given VCSTR = 100dm , X = 0.65 Conversion, –rA
X (mol/dm3.s)
directly to determine the reactor 0.0 0.0045
0.0 0.0045
sizing. 0.1 0.0044 𝐹()𝑋 𝐹()(0.65) 0.1 0.0044
0.2 0.0042 𝑉"#$% = = 100𝑑𝑚 3 =
Example: The reaction A à B is to 0.3 0.0037
−𝑟(
0.00145
𝑚𝑜𝑙
𝑑𝑚 3. 𝑠
0.2 0.0042
3 0.3 0.0037
be carried out in a 100 dm CSTR. 0.4 0.0032 𝐹() = 0.223
𝑚𝑜𝑙
0.4 0.0032
𝑠
Using the data in table, calculate 0.5 0.0025
0.5 0.0025
0.6 0.0017
the initial molar flow rate necessary 0.7 0.0012
0.6 0.0017
0.7 0.0012
to achieve 65% conversion of A. 0.8 0.0010
0.8 0.0010
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2.2 Design Equation For Flow Systems 2.2 Design Equation For Flow Systems
(Sizing A PFR Using Levenspiel Plot) (Sizing A PFR Using Levenspiel Plot)
For PFR sizing, its volume, VPFR is equal to the area under the curve of There is various Simpsons' Rule that we can use to evaluate
the Levenspiel plot. the area under the curve. However, we usually use Simpson’s
one-third rule (3 points). Final
X conversion
1 dX 1
X dX
−rA VPFR = FA0 ∫ −rA( X
2)
VPFR = FAO ∫
0
−rA
0 −rA
X $
ΔX & 1 4 1 )
'
1 = FA0 + +
−rA( X ) 3 &% −rA( X ) −rA( X )
−rA( X ) )(
1 0 mid
As we can see, it is not easy to determine the area under the curve of 1 X Initial
the Levenspiel Plot. −rA( X
0)
Point Middle Final
X0 X1 X2 Point Point
We need to use Simpson's Rule ΔX ΔX Final
conversion
2.2 Design Equation For Flow Systems 2.2 Design Equation For Flow
(Sizing A PFR Using Levenspiel Plot) Systems (Sizing A CSTR Using
Solution
Levenspiel Plot)
Example 1/ −rA Given FA0 = 0.4 mol/s and X = 0.7 1/ −rA
833.33 833.33
The reaction A à B is to be carried ).G BC ∆C I L I
𝑉?@% =∫ =𝐹() + DE + DE
out in a PFR. Species A enters the ) DE F
0.4𝑚𝑜𝑙 0.35
3 DE F(J)
𝑑𝑚3.𝑠
F(J.MN) F(J.O)
8
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2.2 Design Equation For Flow 2.2 Design Equation For Flow
Systems (Sizing A PFR Using Systems (Sizing A CSTR Using
Table) Table)
Solution
Conversion, –rA
We can also use the Table X (mol/dm3.s)
3
Given VPFR = 100dm , X = 0.50 Conversion, –rA
X (mol/dm3.s)
directly to determine the reactor 0.0 0.0045 𝑉?@% =∫
).R BC
= 𝐹()
∆C I
+ DE
L
+ DE
I
0.0 0.0045
DE F 3 DE F(J)
sizing. 0.1 0.0044 )
0.25 1 4 1
F(J.SN)
𝑑𝑚3.𝑠
F(J.N)
0.1 0.0044
0.2 0.0042 100𝑑𝑚3 = 𝐹() + +
3 0.0045 0.00395 0.0025 𝑚𝑜𝑙
Example: The reaction A à B is to 0.3 0.0037 𝑚𝑜𝑙
0.2 0.0042
3 = 0.73 0.3 0.0037
be carried out in a 100 dm PFR. 0.4 0.0032
𝑠
0.4 0.0032
Using the data in table, calculate 0.5 0.0025
0.5 0.0025
0.6 0.0017
the initial molar flow rate necessary 0.7 0.0012
0.6 0.0017
0.7 0.0012
to achieve 50% conversion of A. 0.8 0.0010
0.8 0.0010
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CSTR 1
X 1 = 0.4 X
0.0
(mol/dm3.s)
0.0045
Subsequently calculate the
0.1
0.2
0.0044
0.0042
single CSTR volume to
VCSTR,2 =
FA0 ( X 2 − X 1 )
2
0.3 0.0037 achieve the same overall
conversion (70%)
−rA2 0.4 0.0032
CSTR X 2 = 0.7
mol 0.5 0.0025
0.4 (0.7 − 0.4)
Calculate yourself
s Total Volume, VCSTR,TOTAL 0.6 0.0017
= 0.7 0.0012
mol = VCSTR,1 + VCSTR,2
0.0012 3 0.8 0.0010
dm .s = 50 + 100 dm3
= 150 dm3
= 100dm3
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12
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0.7
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X 1 = 0.5 –r A 0.867 –r A
0.867 X X
mol/s
1 (mol/dm3.s) mol/s (mol/dm3.s)
0.0 0.0053 0.0 0.0053
PFR
0.1 0.0052 1 0.1 0.0052
CSTR 2 CSTR
X 2 = 0.8 0.2 0.0050 X 1 = 0.5 X 2 = 0.8 0.2 0.0050
0.3 0.0045 2 0.3 0.0045
F ( X − X1)
VCSTR,2 = A0 2 0.4 0.0040 PFR 0.4 0.0040
−rA2 FA0 X 1
0.5 0.0033 VCSTR,1 = 0.5 0.0033
mol 0.6 0.0025 −rA1 0.6 0.0025
0.867 (0.8 − 0.5) Total Volume, VTOTAL
= s 0.7 0.0018 mol 0.7 0.0018
mol = VPFR,1 + VCSTR,2 0.867 (0.5)
0.00125 3 0.8 0.00125 s 0.8 0.00125
= 96.37 + 208.08 dm3 = = 131.36dm3
dm .s 0.85 0.001 mol 0.85 0.001
= 304.45 dm3 0.0033 3
= 208.08dm3 dm .s
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2.4 Space Time and Space 2.4 Space Time and Space
Velocity Velocity
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2.4 Space Time and Space 2.4 Space Time and Space
Velocity Velocity
Difference between Reaction Time, Space Time and Residence Time
If the Volume does not change and the
Reaction Time: volumetric flow rate remains constant then
Time required to hold up the particles in the batch reactor for the required
conversion to take place Residence time = Space time
However, if there is a disturbance in the
Space Time:
Time required to process 1 reactor volume of fluid in a flow reactor reactor (i.e., change in pressure, temperature,
Residence Time:
etc.), then
Average amount of time that a particle spends in a flow reactor Residence time ≠ Space time
2.4 Space Time and Space 2.4 Space Time and Space
Velocity Velocity
LHSV (Liquid Hourly Space Velocity)
• It is a method to relate the reactant liquid flow rate to the reactor volume at a standard
• A space velocity of 5 / hr means that five reactor
temperature. volumes of feed at specified condition are being fed
• Usually, this temperature ranges from 60 to 75 o F(15.6 to 23.9 oC).
• The volumetric flow rate, υo is treated as a liquid at these conditions, even though the into the reactor per hour.
actual material may be a gas under normal operating conditions
• A space time of 5 min is that every 5 minutes, one
GHSV (Gas Hourly Space Velocity)
• It is a similar method for relating the reactant gas flow rate to the reactor volume.
reactor volume of feed at specified conditions is
• GHSV is usually measured at standard temperature and pressure (STP). being treated by the reactor.
• Different industries may have their own definitions for STP and these conditions may be
closer to ambient conditions than to the International Union of Pure and Applied Chemistry
values of 32 o F (0 o C) and 1 bar (100 kPa).
16