L3b-1

Review: Design Eq & Conversion

j≡ stoichiometric coefficient;
b c d moles A reacted
A  B  C  D XA  positive for products, negative
a a a moles A fed for reactants
 
BATCH N j  N j0   jNA0 X A NT   N j  NT0 
   j NA 0 X A
SYSTEM: j  j 
XA dX A
Ideal Batch Reactor dX A
NA 0  rA V t  NA 0 
Design Eq with XA: dt 0  rA V

FLOW  
Fj  Fj0   jFA0 X A FT   Fj  FT0    j FA 0 X A
SYSTEM: j  j 

Ideal CSTR Ideal SS PFR dX A XA dX A

Design Eq FA 0  rA V  FA 0 
Design Eq with XA: dV 0  rA
with XA:
XA dX A
F X Ideal SS PBR dX A
V  A0 A FA 0  rA ' W  FA 0 
 rA Design Eq with XA: dW 0  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 Volume is
FA 0 X A  FA 0 
CSTR VCSTR   VCSTR    X A product of FA0/-rA
design eq.  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
FA 0 
rA V   X1
rA X
1

X 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 dX A  FA 0 
design eq. V PFR  FA0   VPFR    dX A
0  rA 0   rA 
X A,exit X A,exit
Ideal PBR dX A  FA 0 
WPBR  FA 0   WPBR    dX A
design eq. 0  rA 0   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
Area VPFR or W
ofcatalyst,
PFR PBR
FA 0
X1  F X FA 0  X
rA 1
FA 0 
V    0 
V  A 0 1dX

W 
d

X dX
0   rA  r  
0   rA ' 
A

X1
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): Simpson’s one-third rule (3-point):
X1 X2
h h
 f x dx  f X0   f X1  f x dx  f X0   4f X1  f X2 
0 2 0 3
h  X1  X0 X 2  X0
h X1  X0  h
2

Simpson’s three-eights rule (4-point):

X1  X0  h X2  X0  2h
X3
3
 f x dx  hf X0   3f X1  3f X2   f X3  h
X3  X0
0 8 3
Simpson’s five-point quadrature :
X4
h X 4  X0
 f x dx  f X0   4f X1  2f X2   4f X3   f X 4  h 
0 3 4
Slides courtesy of Prof M L Kraft, Chemical & Biomolecular Engr Dept, University of Illinois at Urbana-Champaign.
 L3b-5

Review: Reactors in Series

FA0
If is monotonically
- rA
2 CSTRs 2 PFRs
increasing then:
VPFR   VPFR   VCSTR
i j

VCSTR2  VPFR   VCSTR VCSTR

VCSTR1 VPFR1 VPFR2 i j

CSTR→PFR PFR→CSTR

VCSTR1 + VPFR2
≠
VPFR1 + CCSTR2
VCSTR2
VCSTR1 VPFR2 VPFR1

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/dm3∙s

FA0, X0 X1=0.3 X1=0.3

X2=0.8 FA0, X0 X2=0.8

Config 1 Config 2

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

X A,exit
VPFRn  
 FA 0 
 dX A ←Use numerical VCSTR n 
FA 0
X A,out  X A,in 
  rA  methods to solve  rAn
X A,in
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
FA 0  52 Convert to seconds→
min
mol  1min  mol
52    0 . 8 67  FA 0
min  60s  s
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/dm3∙s

FA0, X0 X1=0.3 X1=0.3

X2=0.8 FA0, X0 X2=0.8

Config 1 Config 2

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
X A,exit
VPFRn  
 FA 0 
 dX A ←Use numerical VCSTR n 
FA 0
X A,out  X A,in 
  rA  methods to solve  rAn
X A,in
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 mol
FA 0  52 Convert to seconds→ FA 0 0.867
min
 s  164 dm3
mol  1min  mol rA( 0 ) mol
52    0 . 8 67  FA 0 0.0053
min  60s  s 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/dm3∙s

FA0, X0 X1=0.3 X1=0.3

X2=0.8 FA0, X0 X2=0.8

Config 1 Config 2

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
X A,exit
VPFRn  
 FA 0 
 dX A ←Use numerical VCSTR n 
FA 0
X A,out  X A,in 
  rA  methods to solve  rAn
X A,in
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 mol
FA 0  52 Convert to seconds→ FAeach
For 0.867
–rA that corresponds to
s  164 dm3
a X0A value,
min
 use FA0 to calculate
mol  1min  mol rA( 0F) /-r & fill inmol
52    0 . 8 67  FA 0 A0 0.0053
A the table
min  60s  s dm3  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/dm3∙s

FA0, X0 X1=0.3 X1=0.3

X2=0.8 FA0, X0 X2=0.8

Config 1 Config 2

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 A,exit
VPFRn  
 FA 0 
 dX A ←Use numerical VCSTR n 
FA 0
X A,out  X A,in 
  rA  methods to solve  rAn
X A,in
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

FA 0  52
mol mol
Convert to seconds→
FA0 0.867
min
 s  867 dm3
mol  1min  mol rA( mol
52    0. 867  FA 0 0.85 ) 0.001
min  60s  s 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
FA0, X0 X1=0.3
X2=0.8

Config 1

Reactor 1, PFR from XA0=0 to XA=0.3: PFR1 CSTR2

X A,exit  FA 0  ←Use numerical
VPF R n  X A,in 
 r
dX
 A
methods to solve
 A 
4-pt rule:  
0.3 F 3  0.3  0   FA0 FA 0 FA0 F 
VPF R1   A0 dX    3 3  A0
0 rA A
8  3   rA X 0 rA rA rA 
 A X A 0. 1 X A 0.2
X A 0.3 

0.3 FA0 3
 VPFR1  0 dX A   0.1 164  3 167   3 173   193   51.6 dm3
rA 8

 XA,out  XA,in   VCSTR2

FA0
VCSTR2   694  0.8  0.3   347 dm3
rA X A,out
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
X1=0.3 Must evaluate as many
FA0, X0 X2=0.8 pts as possible when
the curve isn’t flat
Config 2

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

CSTR1 PFR2
FA 0
VCS TR 1 
rA
 X A,out  X A 0 
0. 3 0.8 F
 VCSTR  193  0.3  0   58 dm 3 VPFR2   A0 dX
A
0.3 rA
0.5 F 0 .8 F
Need to evaluate at 6 pts, but since  VPFR2   A0 dX  A0 dX
A  A
0.3 rA 0.5 rA
there is no 6-pt rule, break it up
0. 5  0. 3   3  0. 8  0. 5  3
VPF R   193   4  217  263      263   3  347   3  482  694  173 dm
3  2 8 3

3 point rule 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 CA0.
What is the space velocity (SV) for this system?
V
5h     space time  holding time  mean residence time

0
 FA 0   C A 0 0  VCS TR  C A 0 
VCS TR    X A  VCS TR   XA    XA
 rA   rA  0  rA 
VCS TR  C A 0 
  XA =5 h XA=0.8 0=2 ft3/min
0  rA 
V  2ft3   60 min 
 min   h   
   V  0 V   5h  V  600 ft3
0
 
Space 0 1 1 1
velocity: S V  V    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.
 A product is produced by a nonisothermal, nonelementary, multiple-reaction L3b-14

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.

X1=0.3 FA0, X0 X1=0.3

FA0, X0 X2=0.7 X2=0.7

Config 1 Config 2

 FA 0   C A0 
VCS TR  
r
 X A  VCS TR  0 
 r

 X A,out  X A,in 
 A  A 
Shown on graph

X A,exit X A,exit
 FA 0   C A0 
VPF R n    dX A  VPF R  0   r dX A
X A,in  rA  X A,in  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.
 A product is produced by a nonisothermal, nonelementary, multiple-reaction L3b-15

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.

X1=0.3 FA0, X0 X1=0.3

FA0, X0 X2=0.7 X2=0.7

Config 1 Config 2

Config 1 Config 2
XA = 0.7

XA = 0.7
XA = 0.3

XA = 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.