CB.EN.U4CHE19018 M.S.

RATHIKA

PROCESS SIMULATION LAB

Exercise 4: Simulation of Chemical Reactors and Reactive Systems

1. The objective of this problem is to design the most efficient and most versatile system of
reactors for a plant converting ammonia and ethylene oxide into ethanolamines. The three
ethanolamines produced in this process are monoethanolamine (MEA), diethanolamine (DEA),
and triethanolamine (TEA). Of these three products, MEA generally gives the highest profit
margin as it is used in carbon dioxide recovery units.

These chemicals are high-boiling, colorless, and viscous at room temperature. The wide-scale
production of ethylene oxide (EO), the primary reactant, has made industrial ethanolamine
synthesis possible. The combination of EO and ammonia produces MEA. However, since EO is
incredibly reactive, the additional secondary products of DEA and TEA are produced. The
Reactions occurring are given below

( ) ( )
( ) ( )

All three reactions are highly exothermic and can occur within a short reactor residence time.
All the above said reactions occur in vapor phase and the limiting reactant being Ethylene
oxide. In an industrial process, approximate ratio between ammonia and ethylene oxide is 10:1.

i) The process that needs to be simulated has two PFRs each of 3m length and 30 cm in
diameter. Initially, Ethylene oxide, ammonia at 25oC and atmospheric pressure is
compressed to 25 bar separately and then mixed after cooling down to 140oC. The flow rates
of Ethylene oxide and ammonia are 200 kg mole /hr and 1000 kg mole /hr respectively. The
product from the first PFR is cooled down to 50oC and then separated in a flash separator.
The ammonia is recovered as vapor and the products as liquid. The ammonia from the
separator is compressed again mixed with the compressed Ethylene oxide and then sent to
second PFR.
a. Exit Stream conditions of first PFR
b. % Ethylene Oxide Conversion in first PFR
c. What are the conditions exiting the Flash seperator
d. Liquid Product composition from Flash separator
e. Exit Stream conditions of second PFR
f. % Ethylene Oxide Conversion in second PFR
ii) Repeat above for two CSTRs having the same volume
iii) Clearly discuss which option is better. Provide a theoretical justification (Your justification
shouldn’t be based on conversion obtained from i and ii from simulations).

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AIM:

The objective of this problem is to design the most efficient and most versatile system of reactors for a
plant converting ammonia and ethylene oxide into ethanolamines. To compare CSTR and PFR to find
which reactor is best suited for the above mentioned process.

INTRODUCTION:

The three ethanolamines produced in this process are monoethanolamine (MEA), diethanolamine (DEA),
and triethanolamine (TEA). Of these three products, MEA generally gives the highest profit margin as it
is used in carbon dioxide recovery units.

These chemicals are high-boiling, colorless, and viscous at room temperature. The wide-scale production
of ethylene oxide (EO), the primary reactant, has made industrial ethanolamine synthesis possible. The
combination of EO and ammonia produces MEA. However, since EO is incredibly reactive, the
additional secondary products of DEA and TEA are produced. The comparison between CSTR and PFR
is done using ASPEN HYSYS.

DEGREES OF FREEDOM:

STREAMS

C2Oxide feed

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Ammonia feed

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Compout1

C= number of components =5

2
P = number of phases =1

DOF = 5-1+2 = 6

Compout2

C= number of components =5

P = number of phases =1

DOF = 5-1 +2= 6

Coolerout1

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Coolerout2

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

EO1

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

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EO2

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Mixout

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Reactorout1

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Coolerout3

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Ammoniavap

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

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 Liqout

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Compout3

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Mixout2

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Reactorout2

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

EQUIPMENT

Compressor

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

5
Mixer

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Splitter

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

PFR

C= number of components =5

P = number of phases =1

DOF = 5-1+2 = 6

Cooler

C= number of components =5

P = number of phases =2

DOF = 5-2+2 = 5

CSTR

C= number of components =5

P = number of phases =2

DOF = 5-2+2 = 5

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RESULTS:

PFR

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CSTR:

i.
a. Exit Stream conditions of first PFR

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b. % Ethylene Oxide Conversion in first PFR

c. What are the conditions exiting the Flash separator

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d. Liquid Product composition from Flash separator

e. Exit Stream conditions of second PFR

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f. % Ethylene Oxide Conversion in second PFR

ii.

a. Exit Stream conditions of first CSTR

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b. % Ethylene Oxide Conversion in first CSTR

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c. What are the conditions exiting the Flash separator

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d. Liquid Product composition from Flash separator

e. Exit Stream conditions of second CSTR

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f. % Ethylene Oxide Conversion in second CSTR

iii. CSTR reduces concentration of the reactant to minimum in less time than what the PFR does.
Rate of reaction is directly proportional to reactant concentration for positive order reactions.
More, the concentration more will be the rate. Hence PFR gives higher conversion than CSTR. At
high fractional conversion values, the volume required for a CSTR increases rapidly compared
the volume of the PFR. If reactor volume is the only criterion for deciding the type of reactor we
use PFR.

SUMMARY:

Hence, comparison has been done between PFR and CSTR.

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