L3b-1

Review: Design Eq & Conversion

b
c
d
A B C D
a
a
a
BATCH
SYSTEM:

XA

N j N j0 jNA 0 X A

N T N j NT 0
j

dX A
Ideal Batch Reactor
NA 0
rA V
Design Eq with XA:
dt
FLOW
SYSTEM:

j stoichiometric coefficient;
positive for products, negative
for reactants

moles A reacted

moles A fed

Fj Fj0 jFA 0 X A

j N A 0 X A
j
XA

t NA 0

dX A
rA V

FT Fj FT0 j FA 0 X A
j
j

Ideal CSTR
Design Eq
with XA:

Ideal SS PFR
Design Eq with XA:

dX A
FA 0
rA
dV

F X
V A0 A
rA

Ideal SS PBR
Design Eq with XA:

dX A
FA 0
rA '
dW

XA

V FA 0

XA

W FA 0

dX A
rA
dX A
rA '

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-2

Review: Sizing CSTRs

We can determine the volume of the CSTR required to achieve a specific

conversion if we know how the reaction rate rj depends on the conversion Xj
Ideal SS
CSTR
design eq.

Volume is
FA 0
FA 0 X A
VCSTR
VCSTR
X A product of FA0/-rA
rA
rA
and XA

Plot FA0/-rA vs XA (Levenspiel plot)

VCSTR is the rectangle with a base of XA,exit and a height of FA0/-rA at XA,exit

Area = Volume of CSTR

FA 0
V
X1
rA X
1

FA 0
rA

X1

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-3

Review: Sizing PFRs & PBRs

We can determine the volume (catalyst weight) of a PFR (PBR) required to

achieve a specific Xj if we know how the reaction rate rj depends on Xj
X A,exit
X A,exit
Ideal PFR
FA 0
dX A
dX A
V

PFR
A0
PFR
design eq.
rA
rA
0
0
Ideal PBR
design eq.

WPBR FA 0

X A,exit

dX A
WPBR
rA

X A,exit

FA 0

dX A
rA

Plot FA0/-rA vs XA (Experimentally determined numerical values)

VPFR (WPBR) is the area under the curve FA0/-rA vs XA,exit

Area==Volume
VPFR or W
Area
ofcatalyst,
PFRPBR

FA 0
rA

X1

FA 0
V
0 rA
X1

X1

dX W FA 0 dX
r '

A
0

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-4

Numerical Evaluation of Integrals (A.4)

Trapezoidal rule (2-point):
X1
h
f x dx f X0 f X1
2
0
h X1 X0

Simpsons one-third rule (3-point):

X2
h
f x dx f X0 4f X1 f X2
3
0

X 2 X0
h
2

Simpsons three-eights rule (4-point):

X3

X1 X0 h

X1 X0 h X2 X0 2h

3
f x dx h f X0 3f X1 3f X2 f X3
8
0

X3 X 0
h
3

Simpsons five-point quadrature :

X4

X 4 X0
h
f x dx f X0 4f X1 2f X2 4f X3 f X 4 h
4
3
0

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-5

Review: Reactors in SeriesF

If

2 CSTRs

A0

is monotonically
- rA
increasing then:
VPFR VPFR VCSTR

2 PFRs

VCSTR1

VCSTR2

CSTRPFR

VCSTR1

VPFR2

VPFR1

VPFR2

VPFR VCSTR VCSTR

i

PFRCSTR

VPFR1

VCSTR2

VCSTR1 + VPFR2

VPFR1 + CCSTR2

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-6

Chapter 2 Examples

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-7

Calculate the reactor volumes for each configuration shown below for the reaction data
in the table when the molar flow rate is 52 mol/min. -rA is in terms of mol/dm3s
X
X11=0.3
=0.3

FFA0
X00
A0,, X

X
X22=0.8
=0.8

FFA0
X00
A0,, X

X
X11=0.3
=0.3
Config 2

Config 1
XA

-rA

X
X22=0.8
=0.8

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.85

0.0053 0.0052 0.0050 0.0045 0.0040 0.0033 0.0025 0.0018 0.00125 0.001

VPFR n

X A,exit

X A,in

FA 0

dX A Use numerical
methods to solve
rA

VCSTR n

FA 0
X A,out X A,in
rA n

XA,out and XA,in respectively, are the conversion at the outlet and inlet of reactor n
1. CalculateFFA0A0/-r
/-rAA for each conversion value in the table

mol
Convert to seconds
min
1min
mol

0
.
8
67
FA 0

60s
s

FA 0 52
52

mol
min

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-8

Calculate the reactor volumes for each configuration shown below for the reaction data
in the table when the molar flow rate is 52 mol/min. -rA is in terms of mol/dm3s
X
X11=0.3
=0.3

FFA0
X00
A0,, X

X
X22=0.8
=0.8

FFA0
X00
A0,, X

X
X11=0.3
=0.3

X
X22=0.8
=0.8
Config 2

Config 1
XA

-rA

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.85

0.0053 0.0052 0.0050 0.0045 0.0040 0.0033 0.0025 0.0018 0.00125 0.001

FA0/-rA

164

VPFR n

X A,exit

X A,in

FA 0

dX A Use numerical
methods to solve
rA

VCSTR n

FA 0
X A,out X A,in
rA n

XA,out and XA,in respectively, are the conversion at the outlet and inlet of reactor n
1. Calculate FA0/-rA for each conversion value in the table

mol
Convert to seconds
min
1min
mol

0
.
8
67
FA 0

60s
s

FA 0 52
52

mol
min

FA 0

rA( 0)

0.867
0.0053

mol
s
164 dm3
mol

dm3 s

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-9

Calculate the reactor volumes for each configuration shown below for the reaction data
in the table when the molar flow rate is 52 mol/min. -rA is in terms of mol/dm3s
X
X11=0.3
=0.3

FFA0
X00
A0,, X

X
X22=0.8
=0.8

FFA0
X00
A0,, X

X
X11=0.3
=0.3
Config 2

Config 1
XA

-rA

X
X22=0.8
=0.8

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.85

0.0053 0.0052 0.0050 0.0045 0.0040 0.0033 0.0025 0.0018 0.00125 0.001

FA0/-rA

VPFR n

X A,exit

X A,in

FA 0

dX A Use numerical
methods to solve
rA

VCSTR n

FA 0
X A,out X A,in
rA n

XA,out and XA,in respectively, are the conversion at the outlet and inlet of reactor n
1. Calculate FA0/-rA for each conversion value in the table

mol
Convert to seconds
min
1min
mol

0
.
8
67
FA 0

60s
s

FA 0 52
52

mol
min

mol
0.867
For
rA that corresponds to
FAeach
3
s
0

d
m
164
A0 to calculate
arAX( A0)value, use Fmol
FA0/-r0.0053
A & fill in the
3 table
dm s

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-10

Calculate the reactor volumes for each configuration shown below for the reaction data
in the table when the molar flow rate is 52 mol/min. -rA is in terms of mol/dm3s
X
X11=0.3
=0.3

FFA0
X00
A0,, X

X
X22=0.8
=0.8

X
X11=0.3
=0.3

FFA0
X00
A0,, X

X
X22=0.8
=0.8
Config 2

Config 1
XA

-rA

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.85

0.0053 0.0052 0.0050 0.0045 0.0040 0.0033 0.0025 0.0018 0.00125 0.001

FA0/-rA

164

VPFR n

167

X A,exit

X A,in

173

193

217

263

FA 0

dX A Use numerical
methods to solve
rA

347

VCSTR n

482

694

867

FA 0
X A,out X A,in
rA n

XA,out and XA,in respectively, are the conversion at the outlet and inlet of reactor n
1. Calculate FA0/-rA for each conversion value in the table

mol
Convert to seconds
min
1min
mol

0
.
8
67
FA 0

60s
s

FA 0 52
52

mol
min

FA0

rA( 0.85)

mol
s
867 dm3
mol

0.867

0.001
dm3 s

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-11

XA
0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.85
-rA
0.0053 0.0052 0.0050 0.0045 0.0040 0.0033 0.0025 0.0018 0.00125 0.001
FA0/-rA 164
167
173
193
217
263
347
482
694
867
X
X11=0.3
=0.3

FFA0
X00
A0,, X

X
X22=0.8
=0.8

Config 1
Reactor 1, PFR from XA0=0 to XA=0.3:
X A,exit

PFR1

CSTR2

FA 0
VPFRn
dX A Use numerical

X A,in
methods to solve
rA
4-pt rule:

0.3 F
F
F
F
F
3 0.3 0 A0

A0
A0
A0
VPFR1 A0dX A

8
3
rA X 0.1
rA X 0.2 rA
rA X 0
0 rA
A
A
A
X A 0.3

VPFR1
VCSTR2

0.3 FA0
0
rA

FA0
rA

X A,out

dX A

3
0.1 164 3 167 3 173 193 51.6 dm3
8

XA,out XA,in

VCSTR2 694 0.8 0.3 347 dm3

Total volume for configuration 1: 51.6 dm3 + 347 dm3 = 398.6 dm3 = 399 dm3
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-12

XA
0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.85
-rA
0.0053 0.0052 0.0050 0.0045 0.0040 0.0033 0.0025 0.0018 0.00125 0.001
FA0/-rA 164
167
173
193
217
263
347
482
694
867
FFA0
X00
A0,, X

X
X11=0.3
=0.3

Must evaluate as many

pts as possible when
the curve isnt flat

X
X22=0.8
=0.8
Config 2

Reactor 1, CSTR from XA0=0 to XA=0.3:

VCSTR1

FA 0

rA

0.3

CSTR1

X A,out X A 0

VCSTR 193 0.3 0 58 dm

Need to evaluate at 6 pts, but since

there is no 6-pt rule, break it up

0.8 F
A0 dX

VPFR2

0.3 rA

0.5 F
A0 dX

VPFR2

0.5 0.3
3 0.8 0 .5
193 4 217 263

VPFR
8
3
3 2

3 point rule

PFR2

0.3 rA

0 .8 F
A0 dX

0.5 rA

3
173 dm
263 3 347 3 482 694

4 point rule

Total volume for configuration 2: 58 dm3 + 173 dm3 = 231 dm3

Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-13

For a given CA0, the space time needed to achieve 80% conversion in a
CSTR is 5 h. Determine (if possible) the CSTR volume required to process 2
ft3/min and achieve 80% conversion for the same reaction using the same C A0.
What is the space velocity (SV) for this system?

V
space time holding time mean residence time

0
VCSTR C A 0
FA 0
C A 0 0

X A
XA
X A VCSTR
rA
rA
0
rA

5h

VCSTR

VCSTR C A 0

XA
0
rA
V

V 0
0

=5 h

2ft3 60 min
V

5h
min
h

Space
1
SV 0
velocity:
V

0=2 ft3/min

XA=0.8

V 600 ft3

1 1
SV
0.2 h-1
5h

Notice that we did not need to solve the CSTR design equation to solve this problem.
Also, this answer does not depend on the type of flow reactor used.
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-14
A product is produced by a nonisothermal, nonelementary, multiple-reaction
mechanism. Assume the volumetric flow rate is constant & the same in both reactors.
Data for this reaction is shown in the graph below. Use this graph to determine which
of the 2 configurations that follow give the smaller total reactor volume.

FFA0
X00
A0,, X

X
X11=0.3
=0.3

X
X22=0.7
=0.7

FFA0
X00
A0,, X

Config 1

X
X11=0.3
=0.3

X
X22=0.7
=0.7

Config 2
FA 0
C A 0
X

A
X A,out X A,in
CSTR
0
rA
rA

VCSTR

Shown on graph
VPFRn

X A,exit

X A,in

FA 0

dX A VPFR 0

r
A

X A,exit

X A,in

C A 0

dX A

Since 0 is the same in both reactors, we can use this graph to compare the 2
configurations
PFR- volume is 0 multiplied by the area under the curve between XA,in & XA,out
CSTR- volume is 0 multiplied by the product of CA0/-rA,outlet times (XA,out - XA,in)
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.

L3b-15
A product is produced by a nonisothermal, nonelementary, multiple-reaction
mechanism. Assume the volumetric flow rate is constant & the same in both reactors.
Data for this reaction is shown in the graph below. Use this graph to determine which
of the 2 configurations that follow give the smaller total reactor volume.

X
X22=0.7
=0.7
Config 1

FFA0
X00
A0,, X

X
X11=0.3
=0.3

Config 2

Config 2
XA = 0.3

XA = 0.7

Config 1
XA = 0.3

X
X22=0.7
=0.7

XA = 0.7

FFA0
X00
A0,, X

X
X11=0.3
=0.3

PFR- V is 0 multiplied by the area under the curve between XA,in & XA,out
CSTR- V is 0 multiplied by the product of CA0/-rA,outlet times (XA,out - XA,in)
Less shaded area

Config 2 (PFRXA,out=0.3 first, and CSTRXA,out=0.7 second) has the smaller VTotal
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.