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The objectives of this simulation laboratory was to understand the usage of Aspen HYSYS
program to create and converge a conversion reactor and to simulate a process involving
reaction and separation.



By using ASPENTECH Aspen HYSYS V8.6 software. We create a simulation process based
on the given process condition in laboratory manual. Step by step procedure was given to
create this process on the program.
1. First, select a new project and then properties. At the properties section, added 3
components which is n-heptane, toluene and hydrogen onto the system feed
component and used Advance Peng-Robinson property package.
2. After that, at the reaction section, add a reaction and choose a conversion type of
3. Then at the simulation section, the Stream material icon was selected and named it
into Feed stream. This value on table 2.1 was inserted into it.
Molar flow

100 lbmol/hr
n-Heptane: 1
Toluene: 0
Hydrogen: 0

Table 2.1: Properties of Material Stream Feed

Figure 2.1: Properties of Material Stream Feed

4. Then added a heater so that the feed stream can be heated to 800F.

Figure 2.2: Connection of heater.

5. A conversion reactor was added connecting with the heater with the following values:
Molar flow
Table 2.2: Conversion reactor properties

Figure 2.3: Reaction details of conversion reactor.

100 lbmole/h

Figure 2.4: Vapour composition of conversion reactor vapour stream outlet.

6. After the conversion reactor, added a cooler to lower the temperature to 65F.

Figure 2.5: Connection of cooler.

7. Then, a flash separator was added to remove hydrogen at least up to 96%.

Figure 2.6: Connections of separator.

Figure 2.7: Composition of separator.

Figure 2.8: Vapour composition of separator vapour stream outlet.

8. Lastly, an adjustor was added to add the adjusted variable and target variable onto the

Figure 2.9: Connections of adjustor



Figure 3.1: Process Flow Diagram



Figure 4.1: Composition on stream

Figure 4.2: Stream properties.



1) What is the phase of n-heptane at the inlet and outlet of the heater?
As the boiling point of the n-heptane is 98.42C the phase of this material in
the inlet stream of heater should be in liquid because the temperature of the
inlet stream is 18.33C. While, because the heater heating the material to
462.8C the outlet stream of the heater should contain n-heptane in a gas
2) What is the mole fraction for each component after conversion of 15% of n-heptane?
After the reaction occurs in conversion reactor, the outlet stream of the
equipment contain about 0.5313 n-heptane, 0.0938 toluene and 0.3750
3) What is the phase and temperature of the separator feed stream?
Before the stream goes into the separator, it is cooled first by cooler to
18.33C. Because the stream contain n-heptane, toluene and also hydrogen
after the reaction occurs on the reactor. At that temperature, n-heptane and
toluene should be in liquid phase while hydrogen in gas phase. Thus, making
the inlet stream of separator are in vapour phase.
4) Determine the mole fraction for each component at the outlet of the separator?
The objective of using the flash separator was to separate the hydrogen up to
96% from the product stream. So, theoretically the upper stream of the
separator should contain more hydrogen then the lower stream. Thus, from the
composition of the upper stream we get 0.0342 n-heptane, 0.0052 toluene and
0.9606 hydrogen. While at lower stream or liquid stream the composition of
the stream was 0.8488, 0.1503 and 0.0009 for n-heptane, toluene and
hydrogen respectively.