Design Equations F (X)

Chemical Reaction
Engineering 1
TEKNIK KIMIA – UNIVERSITAS PERTAMINA 2019
Catia Angli Curie, MS.

Agung Nugroho
Chapter 1: The design equations:
part 3. reactor in series
Content Objectives
Reactor in series ❑ Able to develop design
 CSTRs in series equation for reactor in series
 PFRs in series ❑ Able to design series of

reactors based on data of –
 Combination of CSTR & PFR rA=f(X)
in series
❑ Able to use Levenspiel plot
 Reactor sequencing to propose optimum
sequencing scheme
Reactor in Series
 Total conversion of A (until the i-th

reactor)
𝑇𝑜𝑡𝑎𝑙 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑟𝑒𝑎𝑐𝑡𝑒𝑑 𝑢𝑝 𝑡𝑜 𝑝𝑜𝑖𝑛𝑡 𝑖
𝑋𝑖 =
𝑀𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 1𝑠𝑡 𝑟𝑒𝑎𝑐𝑡𝑜𝑟
Above definition is valid if:
 No side stream
Image source: https://www.mathworks.com/matlabcentral/fileexchange/15240-dual-cstr-

 Feed only enters the 1st reactor
nonlinear-differential-equation-model
Reactors are connected in series → the exit stream of Molar flow rate of A in the i-th reactor:
one reactor is the feed stream for another reactor.
𝐹𝐴𝑖 = 𝐹𝐴0 − 𝐹𝐴0 𝑋𝑖
CSTR in Series: mole balance
Reactor 1
In – Out + Generation = 0
𝐹𝐴0 − 𝐹𝐴1 + 𝑟𝐴1 𝑉1 = 0
Molar flow rate of A at point 1 (𝐹𝐴1 )
𝐹𝐴1 = 𝐹𝐴0 − 𝐹𝐴0 𝑋1
𝐹𝐴0 𝑋1 + 𝑟𝐴1 𝑉1 = 0
Volume of the 1st reactor:
𝐹𝐴0 𝑋1
𝑉1 =
−𝑟𝐴1
CSTR in Series: mole balance
Reactor 2
In – Out + Generation = 0
𝐹𝐴1 − 𝐹𝐴2 + 𝑟𝐴2 𝑉2 = 0
Molar flow rate of A at point 2 (𝐹𝐴2 )
𝐹𝐴2 = 𝐹𝐴0 − 𝐹𝐴0 𝑋2
𝐹𝐴1 = 𝐹𝐴0 − 𝐹𝐴0 𝑋1
Volume of the 2nd reactor:
𝐹𝐴0 (𝑋2 − 𝑋1 )
𝑉2 =
−𝑟𝐴2
Example: Comparing Volumes for
CSTR in Series
For the two CSTRs in series, 40% conversion is achieved in the first reactor. What is
the volume of each of the two reactors necessary to achieve 80% overall
conversion of the entering species A?
Example: Comparing Volumes for
CSTR in Series
For the two CSTRs in series, 40% conversion is achieved in the first reactor. What is
the volume of each of the two reactors necessary to achieve 80% overall
conversion of the entering species A?
V1 = 0.82 m3 V2 = 3.2 m3
Vtotal = 4.02 m3
Compare if we use only 1 CSTR to

achieve same conversion V = 6.4 m3.
5 CSTR Series
Note: The shape of Levenspiel plot here is typical for isothermal reactor
PFR in Series
𝑉1 =
𝑉2 =
Total Volume of PFR in series will give same

conversion with single PFR
Plug Flow Reactor used in
parallel and series
http://www.essentialchemicalindustry.org/processes/chemical-reactors.html
http://cyberfrogdesign.uk/test/amtech/pilot-and-plant-scale-atr/
Combination of CSTRs and PFRs in
Series: Industrial Example
Dimerization reaction of
propylene to olefins
Combination of
CSTRs and PFRs in Series
FA1 X1 FA2, X2
FA1, X1
FA2, X2
FA0, X0
FA0
V2 V1
X0
V2
V1
VCSTR1 VPFR2 VPFR1 VCSTR2
( ) VCSTR1 + VPFR2 ≠ VPFR1 + CCSTR2

Combination of
CSTRs and PFRs in Series
For the same reaction as in previous
case, the Levenspiel plot will be:
Example
The exothermic isomerization of butane:

n-C4H10 ⇄ i-C4H10
was carried out adiabatically in the liquid phase. The data for this reversible
reaction is given in below table
The reaction scheme is shown in the picture above. Calculate the volume of
each of the reactors for an entering molar flow rate of n-butane of 50 kmol/hr.
Solution
V1 = 0.188 m3 = 188 L V2 = 0.377 m3 = 377 L

Solution
V3 = 0.1 m3 = 100 L
Solution - Levenspiel Plot of the reaction
 Is it possible to have
even smaller total
volume?
Exercise
The exothermic reaction of:

A → B+C
was carried out adiabatically & the following data recorded:
The entering molar flow rate of A is 300 mol/min

a. What are the PFR & CSTR volumes necessary to achieve 40% conversion?
b. Over what range of conversions would the CSTR & PFR reactor volumes be identical?
c. What is the maximum conversion that can be achieved in a 105 dm3 CSTR?
d. What conversion can be achieved if a 72 dm3 PFR is followed in series by a 24 dm3 CSTR?
e. What conversion can be achieved if a 24 dm3 CSTR is followed in series by a 72 dm3 PFR?
Exercise
Levenspiel Plot
350
300
250
𝐹𝐴0
(𝑑𝑚3) 200
−𝑟𝐴
150
100
50
0
0 0.2 0.4 0.6 0.8 1
X
Reactor
Sequencing The sequence of reactors to get the
highest conversion depends on:
▪ Shape of the Levenspiel plot

▪ Relative reactor sizes available
Additional Terminology for Flow reactor
Space time (t): time necessary to process one reactor volume, also 𝑉
𝜏=
called mean residence time or holding time 𝑣𝑜
Space velocity (SV): inverse of space time, but vo may be measured 𝑣𝑜 1
under different conditions than the space time 𝑆𝑉 = =
𝑉 𝜏
Liquid-hourly space velocity
𝑣𝑜 ȁ𝑙𝑖𝑞𝑢𝑖𝑑 @60𝑜𝐹 𝑜𝑟 75𝑜𝐹
𝐿𝐻𝑆𝑉 =
𝑉
Gas-hourly space velocity 𝑣𝑜 ȁ𝑆𝑇𝑃
𝐺𝐻𝑆𝑉 =
𝑉
u0| is the volumetric flow rate measured at specified condition

Example: Space time
For a given CA0, the space time t needed to achieve 80% conversion in a CSTR is 5
h. Determine 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
u
0
V  2ft 3   60 min 
 min   h  ( )
t = → V = u0t V=  5h → V = 600 ft 3
u0
 
Space u0 1 1 1
velocity: SV = V = t → SV = = = 0.2 h-1
t 5h
Space time for industrial reactor
Space time for industrial reactor
Summary
 From design equation, given only –rA=f(X), we will be able to design a

reactor/series of reactor
→ Valid only for identical conditions (T, P, initial reactant
concentration) with the data
 Reaction rate is affected by Creactants, T, P
 Need to have a relation of –rA as f(X) → rate law & stoichiometry
𝐹𝐴0
 If is monotonically increasing, then 𝑉𝑜𝑛𝑒 𝑃𝐹𝑅 ≤ ෍ 𝑉𝑃𝐹𝑅 𝑖 + ෍ 𝑉𝐶𝑆𝑇𝑅(𝑗) ≤ 𝑉𝑜𝑛𝑒 𝐶𝑆𝑇𝑅
−𝑟𝐴
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
References
 Fogler, H. S. 2009. “Elements of Chemical Reaction Engineering”,

4th Ed. Prentice-Hall.
 Levenspiel, O. 1999. “Chemical Reaction Engineering”, 3rd Ed.
John Wiley & Sons.

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Chemical Reaction

Catia Angli Curie, MS.

 PFRs in series ❑ Able to design series of

 Total conversion of A (until the i-th

Image source: https://www.mathworks.com/matlabcentral/fileexchange/15240-dual-cstr-

Compare if we use only 1 CSTR to

Total Volume of PFR in series will give same

VCSTR1 VPFR2 VPFR1 VCSTR2

( ) VCSTR1 + VPFR2 ≠ VPFR1 + CCSTR2

The exothermic isomerization of butane:

V1 = 0.188 m3 = 188 L V2 = 0.377 m3 = 377 L

The exothermic reaction of:

The entering molar flow rate of A is 300 mol/min

▪ Shape of the Levenspiel plot

u0| is the volumetric flow rate measured at specified condition

 From design equation, given only –rA=f(X), we will be able to design a

 Fogler, H. S. 2009. “Elements of Chemical Reaction Engineering”,

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