CHAPTER 4

ISOTHERMAL REACTION DESIGN:

PART 1
 Contents

Design structure for isothermal reactors

Scale-up liquid-phase batch reactor

data to the design of a CSTR

Tubular reactors
 Topic Outcomes

Week Topic Topic Outcomes

4 Isothermal Reactor Design It is expected that students are able to:

• Design structure for isothermal • Describe the algorithm that allows

reactors solving chemical reaction for isothermal
reaction
• Scale-up of liquid-phase batch
reactor data to the design of a • Determine size of batch reactor, CSTR,
CSTR PFR, and PBR for isothermal operation
given the rate law and feed conditions.
• Tubular reactors
 Overview
This chapter brings all the material in the preceding 3
chapters together to arrive at logical structure for the
design of various types of reactors

By using this structure, one should be able to solve

reactor engineering problems through reasoning
rather than memorization of numerous equations
together with the various restrictions and conditions
under which each equation applies.
Isothermal Reaction Design Algorithm

General Mole Balance Chapter 1

Apply mole balance to specific

reactor design equation– Batch,
CSTR, PFR, PBR
Chapter 2
Is rate of law –rA=f(X) given?
Yes

Combine all design equation and rate law

Size of reactor
 Cont.
No information of rate of
law –rA=f(X) Chapter 3

Use the stoichiometry to Gas (with or without pressure drop)

express concentration as a
function of conversion Or Liquid phase

Chapter 4
Obtain the rate law
–rA=f(X) from the
stoichiometry

Combine all design equation, rate

law and stoichiometry

Size of reactor
Algorithm for Isothermal Reactor

‘Algorithm’: procedure/step for solving a problem

Isothermal reactor – is not involved energy balance

The STEPS are

1. Mole balances
2. Rate laws: – r = k(fn C)
3. Stoichiometry: concentration for species
4. Combine: to calculate V or X
Design Structure for Isothermal Reactors
Mole balance equations

Rate laws
rate vs. concentration

Stoichiometry
(to find concentration vs X)

Combine and evaluate

 Batch Operation
Calculate time necessary to achieve given conversion X
for irreversible 1st & 2nd order reaction run in a batch
reactor.
A→B
dX
Mole balance : NA0  rA V0
dt

Rate laws :  rA  kC A  rA  kC 2A

NA
Stoichiometry : CA   C A0 1 X 
V0
dX dX
 k 1  X   kC A0 1 X 
2
Combine : dt dt
1 1 1 X
t  ln t
Integrate : k 1 X kC A0 1  X 
Typical Cycle Time in a Batch Reactor

Activity Time (h)

1. Charge feed to the reactor and agitate, tf 1.5 – 3.0
2. Heat to reaction temperature, te 0.2 – 2.0
3. Carry out reaction, tR (varies)
4. Empty and clean reactor, tC 0.5 – 1.0

Total time excluding reaction 3.0 – 6.0

 Typical Reaction Times

Order of magnitude time to achieve 90% conversion in a batch reactor:

Reaction time First-Order Second-Order

tR k (s-1) kCA0 (s-1)
Hours 10-4 10-3
Minutes 10-2 10-1
Seconds 1 10
Milliseconds 1000 10,000
 Example: Batch Data
It is desired to design a CSTR to produce 200 million pounds of ethylene glycol per
year by hydrolyzing ethylene oxide.

However, before the design can be carried out, it is necessary to perform and analyze
a batch reactor experiment to determine the specific reaction rate constant.

Since the reaction will' be carried out isothermally, the specific reaction rate will need to
be determined only at the reaction temperature of the CSTR.

At high temperatures there is a significant by-product formation, while at temperatures

below 40°C the reaction does not proceed at a significant rate; consequently, a
temperature of 55°C has been chosen.

Since the water is usually present in excess, its concentration may be considered
constant during the course of the reaction. The reaction is first-order in ethylene oxide.

O H2S O4 CH2 OH
+ H2O
H2C CH2 CH2 OH
A + B C
 Solution: Batch Data
1 dNA
Mole balance :  rA
V dt

Rate laws :  rA  kC A

Stoichiometry :

Species Symbol Initial Change Remaining Concentration

C A  C A0 1 X 
CH2 OH
NA  NA0 1 X 
O
H2C CH2
+ HA
2O  NA0 X
NA0CH OH
2

NB  NA0 ΘB X  C B  C A0 ΘB X 

CH2 OH
O
+ H2O B ΘB NA0  NA0 X
H2C CH2 CH2 OH
CH2 OH
+ H2O C 0  NA0 X NC NA0 X C C C A0 X
CH2 OH

NT0 NT  NT0 NA0 X

C B  C A0 ΘB  C B0
Example: Batch Data (Cont.)
In the laboratory experiment, 500 mL of a 2 M solution (2 kmol/m3) of ethylene oxide in
water was mixed with 500 mL of water containing 0.9 wt % sulfuric acid, which is a
catalyst. The temperature was maintained at 55°C. The concentration of ethylene
glycol was recorded as a function of time (Table). From these data, determine the
specific reaction rate at 55°C.
Solution: Batch Data (Cont.)
NA NA t= 0, CA = CA0
CA  
V V0
C A0
ln  kt
1 dNA dNA /V0  dC A CA
 
V dt dt dt
Conc. of ethylene oxide at any time t

dC A C A  C A0 e kt
Combine :   kC A
dt
From reaction stoichiometry
Isothermal operation
NC  NA0 X  NA0  NA
CA dC A t
   kdt
C A0 C 0
A
Solution: Batch Data (Cont.)
Liquid-phase, V = V0
NC NC
CC    C A0  C A
V V0

C C  C A0 1 e kt 
–k

C A0  C C
ln  kt
C A0

ln10 2.3
k   0.311min1
t2  t1 8.95  1.55


 rA  0.311min1 C A 
This rate law can be used in the
design of an industrial CSTR