CH2059: CHEMICAL

REACTION ENGINEERING
LECTURE 2

REACTORS IN SERIES
 REVIEW: Conversion, XA
Conversion is convenient for relating: rj, V, υ, Nj, Fj, and Cj
a A  b B  c C  d D
Choose limiting reactant A as basis of calculation and normalize:
b c d
A B  C  D
a a a
moles A reacted
X A  conversion based on A 
moles A fed
𝑁𝐴0 − 𝑁𝐴
BATCH 𝑋𝐴 = 𝜀 = 0: 𝐶𝐴 = 𝐶𝐴0 1 − 𝑋𝐴
SYSTEM: NA : Moles A (mol) 𝑁𝐴0
1 − 𝑋𝐴
FLOW 𝐹𝐴0 − 𝐹𝐴 𝜀 ≠ 0: 𝐶𝐴 = 𝐶𝐴0
𝑋 =
SYSTEM: FA: Molar rate (mol/h) 𝐴 𝐹𝐴0
1 + 𝜀𝐴 𝑋𝐴

Usually pick the basis to be the limiting reagent

 REVIEW: Batch Reactor Design Equation with Xj
moles A reacted
XA 
b c d
A  B  C  D moles A fed

A 0  NA 0 X A 
a
In terms of A:a N a  N
A

Ideal Batch Reactor dNA

Design Eq:
 rA V
dt
Want to determine how long to leave reactants in reactor to achieve a desired value
for the conversion → take derivative of “NA” equation w/ respect to time
d d dNA dX A
NA   NA0  NA0 X A    0  NA 0
dt dt dt dt
dNA dX A
   NA 0 ←Substitute into batch reactor design eq
dt dt
dX XA
dX A
Ideal Batch Reactor N
A0
A  r A V  t  NA 0 
dt 0  rA V
Design Eq with Xj:
 REVIEW: CSTR Design Equation with Xj
FA 0  FA
Ideal SS CSTR: V
 rj

Substitute for FA
FA  FA 0  FA 0 X A 

FA 0  FA 0  FA 0 X A 

V
 rA
FA 0 X A Ideal CSTR design eq in
V
 rA terms of XA

V ≡ CSTR volume required to achieve a specified conversion

Note: XA and –rA are evaluated at the exit of the CSTR
 REVIEW: PFR Design Equation with Xj
dFA
Ideal SS PRF:  rA
dV
FA  FA 0  FA 0 X A 
Want to determine the reactor volume required to achieve a desired amount of
conversion → take derivative of “FA“ expression with respect to volume
d
FA   d FA 0  FA 0 X A  
dFA
 0  FA 0
dX A
dV dV dV dV
dFA dX A
   FA 0 ←Substitute into PFR design eq
dV dV
XA
Ideal SS PFR Design dX A dX A
F  rA  V  FA 0 
0  rA
Eq with Xj: A 0 dV

Applies for no pressure drop down PFR!

REVIEW: Example
 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 product

FA 0 X A  FA 0 
CSTR design VCSTR   VCSTR    X A of FA0/-rA and XA
eq.  rA   rA 
• Plot FA0/-rA vs XA (Levenspiel plot)
• VCSTR is the rectangle with a base of XA,exit and a height of FA0/-rA

Area = Volume of CSTR

FA 0
FA 0 
rA V   X1
rA X
1

X X1

 Sizing
X
a
0
CSTR
0.1
with
0.2
a Levenspiel
0.4 0.6 0.7
Plot
0.8
A
FA0/-rA 0.89 1.08 1.33 2.05 3.56 5.06 8

VCSTR for XA = 0.4?

9
8  FA 0 
7 VCSTR   XA
  rA 
FA0/-rA (m3)

6
5 Value of FA0/-rA for XA=0.4
4
3 VCSTR  2.05 0.4
2
1  0.82 m3
0
VCSTR for XA = 0.8?
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
XA VCSTR  8 0.8
 6.4 m3
 Sizing PFRs
We can determine the required volume of a PFR to achieve a specific conversion if
we know how the reaction rate rj depends on the conversion Xj
X A,exit X A,exit
Ideal PFR dX A  FA 0 
VPFR  FA 0   VPFR    dX A
design eq.
0  rA 0   rA 
• Plot FA0/-rA vs XA (Experimentally determined numerical values)
• VPFR is the area under the curve FA0/-rA vs XA,exit

FA 0 Area = Volume of PFR

rA X1 FA 0 
V 0  d X
rA 

X1
Sizing a PFR with a Levenspiel Plot
XA 0 0.1 0.2 0.4 0.6 0.7 0.8
FA0/-rA 0.89 1.08 1.33 2.05 3.56 5.06 8

VPFR for XA = 0.4?

X A,exit
 FA 0 
VPFR    dX A
0   rA 

We do not have an
expression for –rA(XA)
Sizing a PFR with a Levenspiel Plot
XA 0 0.1 0.2 0.4 0.6 0.7 0.8
FA0/-rA 0.89 1.08 1.33 2.05 3.56 5.06 8

VPFR for XA = 0.4?

X A,exit
 FA 0 
VPFR    dX A
0   rA 

We do not have an
expression for –rA(XA)

Numerically evaluate
(Appendix A.4) to
Volume of PFR
estimate the area under
the curve
 Numerical Evaluation of Integrals
X
(A.4)
Trapezoidal rule (2-point): Simpson’s one-third rule (3-point):
X
1 h 2 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
 Sizing
X 0
a PFR
0.1
with
0.2
a
0.4
Levenspiel
0.6 0.7
Plot
0.8
A
FA0/-rA 0.89
0.89 1.08 1.33
1.33 2.05 3.56 5.06 8
X A,exit
VPFR for XA = 0.4?  FA 0 
VPFR    dX A
0   rA  XA increments
must be equal
Use Simpson’s one-third rule (3-point):
X2
h X 2  X0
 f x dx  f X0   4f X1  f X2  h  X1  X0  h
0 3 2
0.4  0
h  0.2 X1  0  0.2  0.2
2
h FA 0 FA 0 FA 0 
VPFR   4  
3  rA  X  0  rA  X  0.2  rA  X  0.4  

0 .2
VPFR  0.89  4 1.33   2.05   0.55 m3 = area under the curve
3
 Reactors in Series
In practice, reactors are usually connected so the exit stream of
one reactor is the feed stream for the next reactor

Conversion up to point i total moles of A reacted up to point i

Xi 
(no side streams): Moles A fed into 1st reactor

FA1 FA2
V2
FA0 i=1 i=2
X1 X2
FA3
i=3 X3

V1 V3

FAi  FA 0  FA 0 Xi
 2 CSTRs
F ,X
A1
in Series
1

Materials balance reactor 1:

FA0
X0 In - Out + Gen. = Accum.
FA2
X2
FA0  FA1  rA1V1  0

V1 V2 Need to express FA1 in terms of X1

FA1  FA0  FA0 X1

 FA 0  F A0 - F A 0 X1   rA1V1  0
FA 0 X1  rA1V1  0

 FA0 
  X1  VCSTR1
  rA1 
 2 CSTRs in Series
FA1, X1 Materials balance reactor 2:
In - Out + Gen. = Accum.
FA0
X0 FA1  F A 2  rA 2 V2  0
FA2
X2 FA1  FA 2
VCSTR2 
 rA 2
V1 V2 Need to express FA2 in terms of X2
Materials balance reactor 1:
FA1  FA 0  FA 0 X1 FA 2  FA 0  FA 0 X2
 FA0 
  X1  VCSTR1 VCSTR2 
FA 0  FA 0 X1  FA 0  FA 0 X2 
  rA1   rA 2
FA 0
VCSTR2  X2  X1
 rA 2
Value of FA0/-rA at X2
 2 CSTRs in Series
FA1, X1=0.4 XA 0 0.4 0.8
FA0 FA0/-rA 0.89 2.05 8
X0 9
FA2 8
X2=0.8 7

FA0/-rA (m3)
6
V1 5
V2
4
VCSTR1 for XA1 = 0.4? 3
VCSTR1  2.05 0.4  0.82 m3 2
1
VCSTR2 for XA2 = 0.4 to 0.8? 0
F 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8
VCSTR2  A 0 X2  X1 XA
 rA 2
VCSTR 2  8 0.8  0.4   3.2 m3 VCSTR of single CSTR with XA = 0.8?

VCSTR1 2  0.82 m3  3.2 m3  4.02 m3 < VCSTR  8 0.8  6.4 m3

Usually for the same overall conversion, VTOTAL, 2 CSTRs IN SERIES < VSINGLE CSTR
 2 PFRs in SeriesFX A1
FA0, X0 1
FA2, X2
X2  F  X1  F  X2  F 
VPFR     A0dX A    A 0 dX A    A 0 dX A
0   rA  0   rA  X1   rA 
XA 0 0.2 0.4 0.6 0.8 2 PFRs in series, X1=0.4 and X2=0.8
FA0/-rA 0.89 1.33 2.05 3.56 8
When XA1= 0.4, VPFR1 =0.55 m3 (slide L3-20)
VPFR2 for XA2 = 0.4 to 0.8?
h FA 0 4FA 0 FA 0 
V  
3   rA X  0.4   rA X  0.6   rA X  0.8 
0 .2
VPFR 2  2.05  43.56   8  3.61 m3
3
VPFR1 2  0.55 m3  1.61 m3  2.17 m3
Same volume as 1 PFR with XA=0.8
Combinations of CSTRs & PFRs in Series
FA1 X1 FA2, X2
FA1, X1
FA2, X2 FA0, X0
FA0 V1
V2
X0
V2

V1

VCSTR1 VPFR2 VPFR1 VCSTR2

( )
VCSTR1 + VPFR2 ≠ VPFR1 + CCSTR2
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
 Reactors in Series
FA0
If is monotonica lly increasing, then
- rA
Vone PFR   VPFR(i)   VCSTR( j) Vone CSTR
i j
for any combination of PFRs & CSTRs in series
In general, 1 PFR = any number of PFRs in series
1 PFR = ∞ number of CSTRs in series
Definitions:
V
Space time (t): time necessary to process one reactor volume, t 
also called mean residence time or holding time
0
 1
Space velocity (SV): inverse of space time, but vo may be SV  0 
measured under different conditions than the space time V t
Liquid-hourly 0 liquid @ 60F or 75F
Gas-hourly 0 STP
space velocity LHSV  space velocity GHSV 
V V

0| is the volumetric flow rate measured at specified condition

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 VCSTRn 
FA 0
X A,out  X A,in 
X A,in   rA  methods to solve  rAn

XA,out and XA,in respectively, are the conversion at the outlet and inlet of reactor n

1. Calculate FA0FA0
/-r/-r
A for
A 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
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 VCSTRn 
FA 0
X A,out  X A,in 
X A,in   rA  methods to solve  rAn

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
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 VCSTRn 
FA 0
X A,out  X A,in 
X A,in   rA  methods to solve  rAn

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→ For
FAeach 0.867
–rA that corresponds to a XA
min
value,0 use s F /-r
 FA0 to calculate 164& d m
fill
3
mol  1min  mol rA( 0 ) mol A0 A
52    0 . 8 67  FA 0 0.0053
in the table
min  60s  s dm3  s
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 VCSTRn 
FA 0
X A,out  X A,in 
X A,in   rA  methods to solve  rAn

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(0.85 ) mol
52    0 . 8 67  FA 0 0.001
min  60s  s dm3  s
 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
VPFRn    dX
 A methods to solve
X A,in 
 Ar
4-pt rule:  
0.3 F 3  0.3  0   FA0 FA 0 FA0 F 
VPFR1   A0 dX A     r  3 3  A0 
0  rA 8  3   A X 0 rA rA rA
X A 0.3 
A X A  0 .1 X A 0.2

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
 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 pts

FA0, X0 X2=0.8 as possible when the curve
isn’t flat
Config 2

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

CSTR1 PFR2
FA 0
VCSTR1 
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
A  
A0 dX
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
VPFR   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
For a given CA0, the space time t 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  t   space time  holding time  mean residence time

0
 FA 0   C A 0 0  VCSTR  C A 0 
VCSTR    X A  VCSTR    XA     XA
 rA   rA  0  rA 
VCSTR  C A 0 
t   XA t=5 h XA=0.8 0=2 ft3/min
0  rA 
V  2ft3   60 min 
 min   h   
t   V  0t V  5h  V  600 ft 3
0
 
Space 0 1 1 1
velocity: SV  V  t  SV    0.2 h-1
t 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.
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.

X1=0.3 FA0, X0 X1=0.3

FA0, X0 X2=0.7 X2=0.7

Config 1 Config 2

 FA 0   CA 0 
VCSTR 
r
 X A  VCSTR  0 
r

 X A,out  X A,in 
 A  A 
Shown on graph

X A,exit X A,exit
 FA 0   CA 0 
VPFRn    dX A  VPFR  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)
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.

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