1

INTRODUCTION
Ethylene oxide is also known as oxirane, is an organic compound with the molecular
formula of

Ethylene oxide is a colourless flammable gas which has fairly sweet

odour. Other than that, ethylene oxide is extremely explosive as well. Ethylene oxide is
produced by the direct oxidation ethylene with the presence of silver catalyst at 230C and
10 atm.

Therefore, in this report the focus will be on production of ethylene oxide by the oxidation
of ethylene:
O H C O H C
4 2 2 4 2
5 . 0 (Desired)
O H CO O H C
2 2 2 4 2
2 2 3 (Undesired)

In this report, there were one mixer, one reactor and one separator involved in the
production process of ethylene oxide. A fresh feed stream consists of 50 mol% ethylene
and 50 mol% oxygen is fed at a rate 100 kmol/h into reactor at 230C and 10 atm.
Therefore, it can be said that both of the ethylene and oxygen fresh feed have equal molar
amounts. It is assumed that there is no pressure drop throughout the whole process. From
the reactor, the feed enters into a separator which separates it into 3 streams which are
recycle stream, waste stream and a product stream. Recycle stream consists of only
ethylene, whereas waste stream is made up of oxygen, carbon dioxide, water and 5% of
unreacted ethylene, and finally the product stream consists of pure ethylene oxide. The
unwanted reactants are recycled back to the feed stream to be reused.

The simulation of the whole process based on the conditions above were been done by
using the ASPEN HYSYS by using PRSV equation of state. Comparison between
simulated values through HYSYS and manual calculation has been done and briefly
discussed in the discussion part. Flowcharts and printouts of the workbooks and simulation
results were attached in the appendixes.
ANSWERING QUESTIONS

2
a) Stoichiometric Equations:
Reaction 1: O H C O H C
4 2 2 4 2
5 . 0 (DESIRED REACTION)
Reaction 2: O H CO O H C
2 2 2 4 2
2 2 3 (UNDESIRED REACTION)

b) Flowchart and Labelling:



c) Manual Calculation

100kmol/h
Mixer

0.5

0.5

Reactor

Separator

3
Reactor:
Single pass conversion =



=

Reactant output from reactor = 50 +

= 40 + 0.8

Reacted

= 50 +

(40 + 0.8

)
= 10 + 0.2

Yield =



0.9 =

Mole of

= 9 + 0.18

0.1( 10 + 0.2

mol of

will produce (2 + 0.04

) mol of

and

( 9 + 0.18

) of

react with ( 4.5 + 0.09

of oxygen
(1 + 0.02

of

reacted with ( 3 + 0.06

of oxygen
The remaining oxygen = 50 (4.5 + 0.09

) (3 + 0.06

)
= 42.5 0.15

Overall mass balance
Mass input =

= (50kmol)(32g/mol) + (50kmol)(28g/mol)
= 3000kg/h
Mass output =

= 0.05(40 + 0.8

)(28) + (9 + 0.18

)(44) + (2 + 0.04

)(18) +
(2 + 0.04

)(44) + (42.5 0.15

)(32)
= 1936 + 6.72

Mass input = mass output
3000 = 1936 + 6.72

= 158.33kmol/h
Mixer:

= 100kmol/h +

= 100kmol/h + 158.33kmol/h
= 258.33kmol/h
Composition of

= 0.806
Composition of

= 1 0.806
= 0.194
Reactor:

= (40 + 0.8

) + (9 + 0.18

) + (2 + 0.04

) + (42.5 0.15

)
= 95.5 + 0.91

= 239.58 kmol/h
Composition of

= 0.6955
Composition of

= 0.1565
Composition of

= Composition of

(1 0.6955 0.078 0.1565)

= 0.035
Composition of

= 0.078



Separator:

5

= 9 + 0.18

= 9 + 0.18(158.33)
= 37.4994kmol/h

= 0.05(40 + 0.8

) + (2 + 0.04

)(2) + (42.5 0.15

)
= 48.5 0.03

= 43.7501kmol/h
Composition of

= 0.191
Composition of

= Composition of

(1 0.429 0.191)
= 0.19
Composition of

= 0.429












6
d) Justification of part (d) and (e)

Based on the calculations, the range of yield of 20% conversion is in the range of
0.72 to 1, but for the 30% conversion the yield is in between the range of 0.76 to 1.
Since, we do know that oxygen is the limiting reactant in this case, there will be
zero reaction if the oxygen been fully used up. Bellow are the graphs to justify the
explanation.
The graph below shows the yield for 20% conversion.


The graph below shows the yield for 30% conversion.




-30.00
-20.00
-10.00
0.00
10.00
20.00
30.00
40.00
0.5 0.6 0.7 0.8 0.9 1
O
2


f
l
o
w

r
a
t
e

(
k
g
m
o
l
e
/
h
)

Yield
O2 flow rate against Yield
-30.00
-20.00
-10.00
0.00
10.00
20.00
30.00
0.5 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1
O
2

f
l
o
w

r
a
t
e

(
k
g
m
o
l
e
/
h
)

Yield
O2 flow rate agaisnt Yield

7
Besides that, it is also can be said that the higher the percentage conversion rate the
smaller the range of the yield. If the yield becomes smaller the undesired reaction
will be occuring more than the main reaction which is the desired reaction. But
there are few factors that can be taken into considerations if we want to increase the
formation of the desired product, fist and foremost, we can use a recycle stream.
This is because by adding a recycle stream we can use again the unreacted
reactants. Last but not least, we also can increase the formation of the desired
product by controlling the temperature and pressure and make them constant
throughout the whole process. The full table of the range of yield is as follows :
20% conversion:
Yield C2H4(kgmole/h) O2(kgmole/h) C2H4O(kgmole/h) CO2(kgmole/h) H2O(kgmole/h)
1 166.67 29.15 41.66 0.01 0.01
0.95 166.67 23.94 39.58 4.18 4.18
0.9 166.67 18.73 37.50 8.35 8.35
0.85 166.67 13.52 35.41 12.51 12.51
0.8 166.67 8.32 33.33 16.68 16.68
0.75 166.67 3.11 31.25 20.85 20.85
0.7 166.67 -2.10 29.16 25.01 25.01
0.65 166.67 -7.31 27.08 29.18 29.18
0.6 166.67 -12.52 25.00 33.34 33.34
0.55 166.67 -17.72 22.91 37.51 37.51
0.5 166.67 -22.93 20.83 41.68 41.68

30% conversion:
Yield C2H4(kgmole/h) O2(kgmole/h) C2H4O(kgmole/h) CO2(kgmole/h) H2O(kgmole/h)
1 104.48 27.62 44.78 -0.01 -0.01
0.95 104.48 22.02 42.54 4.47 4.47
0.9 104.48 16.43 40.30 8.95 8.95
0.85 104.48 10.83 38.06 13.43 13.43
0.8 104.48 5.23 35.82 17.90 17.90
0.75 104.48 -0.36 33.58 22.38 22.38
0.7 104.48 -5.96 31.34 26.86 26.86
0.65 104.48 -11.56 29.10 31.34 31.34
0.6 104.48 -17.15 26.87 35.81 35.81
0.55 104.48 -22.75 24.63 40.29 40.29
0.5 104.48 -28.35 22.39 44.77 44.77




8
f) Overall Conversion & Overall Yield

Overall conversion:




=

X

100% = 83.33%


Overall Yield :

X 100% = 75%











9
g)






When we compare the flow chart that we did manually with the one we get by
using ASPEN HYSYS, the one we obtained in ASPEN HYSYS is a bit different.
This is because the one obtained from HYSYS have extra components compared to
the one we did manually. This is because the one from HYSYS have components
like Mixer 1, Mixer 2, and Component Splitter. The simulation of the HYSYS must
be started as shown above.

Before the HYSYS simulation starts, we need to key in the informations like molar
flowrate, pressure and followed by temperature to the input stream.

The HYSYS has been ran with the PRSV equation of state.









10

h) i) The reactions in the process are exothermic. This can be proven by the negative
value under the molar enthalpy under the conversion reactor which is -1.080e+005
KJ/Kgmole for 20% conversion.


ii)

Stream HYSYS Manual
Mix1
Flow rate
Composition:
O
2

C
2
H
4


258.3 kgmole/h

0.1935
0.8065

258.33 kgmole/h

0.194
0.806
Vapour stream
Flow rate
Composition:
C
2
H
4
O
C
2
H
4

O
2

CO
2

H
2
O

239.6 kgmole/h

0.1565
0.6957
0.0783
0.0348
0.0348

239.58 kgmole/h

0.1565
0.6955
0.078
0.035
0.035
Product
Flow rate
Composition:
C
2
H
4
O

37.50

1.000

37.4994 kgmole/h

1.000
Waste
Flow rate
Composition:
C
2
H
4

O
2

CO
2

H
2
O

43.75 kgmole/h

0.1905
0.4286
0.1905
0.1905

43.7501 kgmole/h

0.191
0.429
0.19
0.19
Recycled
Flow rate
Composition:
C
2
H
4


158.3 kgmole/h

1.000

158.33 kgmole/h

1.000

*For the HYSYS values, refer to appendix
*For the manual calculation values, refer to [c. Manual calculation page 3



11



DISCUSSION

The oxidation of ethylene process begins with the preparation of feed to reactor from
Mixer 1. This starts with the fresh feed stream which were fed with 50 kmol% of ethylene
and 50kmol % of oxygen at a rate of 100 kmol/h. Then, it goes to the Mixer 1, whereby at
Mixer 1 the molar flowrate is 258.33 kmol/h whereas compositions of both ethylene and
oxygen are 0.806 and 0.194.Then it goes to Mixer 2 and then to the splitter to be further
splitted to 3 streams which are the recyle stream, waste stream and product stream. At
recycle stream the molar flowrate is 158.33 kmol/h and since theres only ethlene in that
stream, it has a composition of 1. In the waste stream the molar flowrate is 43.75 kmol/h,
and it has 4 for componets which are ethylene,oxygen,carbon dioxide and water with a
respective composition of 0.1905, 0.4286, 0.1905 and 0.1905. Whereas the product stream
has a molar flowrate of 37.499 kmol/h and composition of 1 for the only product ethylene
oxide.

Most importantly at the conversion reactor, the main reaction produces ethylene oxide:
O H C O H C
4 2 2 4 2
5 . 0
The main reaction is irreversible and exothermic. But there is also an undesired reaction
occurred as well:
O H CO O H C
2 2 2 4 2
2 2 3
Heat of reaction is the difference in energy between the reactants and products. Exothermic
reactions are indicated by a negative sign, because the heat is released and products have
competitively lower energy than reactants. Endothermic reactions are indicated by a
positive sign, because heat is absorbed during the reaction and products have more energy
compared to reactants.



12
Based on the HYSYS simulation result, the molar enthalpy value under the conversion
reactor is -1.080e+005. Therefore we can confirm that the hydrochlorination of ethylene to
produce ethyl chloride is an exothermic reaction.
Since ethylene oxide is a flammable and highly explosive gas, it is necessary to take safety
precautions while working with it. First of all, we need to wear goggle and skin protection
all the time while working with ethylene oxide. Then, we have to wear proper protective
clothing or approved personal protection equipment while handling with ethylene oxide.
Next precaution is we shouldnt eat, drink or smoke while handling with ethylene oxide.


As this process is been conducted with high temperature and pressure, the conservation of
the temperature and pressure in the reactor is very crucial. Therefore, the material that is
being used to create the reactor must be of high thermal preservation and can cope with the
high pressure.


In order to increase the production of ethylene oxide two methods has been suggested in
the part (d), here we would like to include another method which is usage of catalyst. This
is because catalyst will decrease the activation energy and speed up the reactions.

It can be summarized, that ethylene production process is a very complex process and
contains a lot of high risks. Therefore, this process must be conducted by following all the
safety precautions and high level of carefulness.












13



CONCLUSION

In a nutshell, ethylene oxide is a flammable,colourless and explosive gas at temperature
more than 51.3 F (10.7 C) that has odour like ether at toxic levels.Ethylene oxide has
range of uses in chemical sector.

The major industrial application of ethylene oxide is as a key raw material in the
production of many industrial chemicals and intermediates, including:
Ethylene glycols used in the production of antifreeze, polyester and polyethylene
terephthalate (PET, the raw material for plastic bottles), liquid coolants and
solvents.

Ethanol amines - used in the manufacture of soap and detergents and for
purification of natural gas

Ethoxylates (produced through reaction of ethylene oxide with higher alcohols,
acids or amines) in the manufacture of detergents, surfactants, emulsifiers and
dispersants

Even though, ethylene oxide has lot of uses but it is also a very harmful and dangerous
component. So, all safety precautions must be applied before handling or working with
ethylene oxide.



14

Reference [Harvard Style]
1. Alexandre, CD 2003, Integrated design and simulation of chemical process. Elsevier
Science, United Kingdom.






























15
Appendix