CONTENTS

No.
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Contents
Procedure
Workbook
Process Flow Diagram (PFD)
Questions and Discussions

Page
2
9
11
14

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PROCEDURE:
1. First, the Aspen Hysys user interface is opened and blank simulation is chosen.
2. Choose the component list.

3. Choose Advanced Peng-Robinson as fluid packages.

4. Then, add reaction in term of conversion.

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5. Add component and insert its stoichiometric coefficients.

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6. Go to simulation, then choose heater.

7. Then, choose conversion reactor with 15% conversion of n-heptane.

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8. Then choose cooler which connected from stream 3.

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9. Then, choose separator in order to separate the product.

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10.The final process flow diagram should look like this.

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WORKBOOK
Advanced Peng-Robinson

Figure 1: Material stream

Figure 2: Compositions

Figure 3: Energy Stream

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PRSV

Figure 4: Material Stream

Figure 5: Compositions

Figure 6: Energy Stream

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PROCESS FLOW DIAGRAM

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RESULTS

1. What is the phase of n-heptane at the inlet and outlet of the heater?
Inlet
: Liquid phase
Outlet
: Vapor phase
2. What is the mole fraction for each component after conversion of 15% of n-heptane?
Stream 3

n-heptane
: 0.5313
Hydrogen: 0.3750
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Toluene

: 0.0938

Stream 4

n-heptane
: 0.5303
Hydrogen: 0.3761
Toluene : 0.0936

3. What is the phase and temperature of the separator feed stream?

The feed stream into the separator contains 0.3918 vapor phase and 0.6082 liquid phase at 64.99F

4. Determine the mole fraction for each component at the outlet of the separator.
Stream 6

n-heptane
: 0.0384
Hydrogen: 0.9558
Toluene : 0.0058

Stream 7

n-heptane
: 0.8488
Hydrogen: 0.0009
Toluene : 0.1504

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DISCUSSIONS
The production of toluene is produced from n-heptane by hydrogenation over a Cr 2O3 catalyst adsorbed on Al 2O3. The
objectives of this lab are to install and converge a conversion reactor, and to stimulate a process involving reaction and
separation. In this lab, we do have to take good hints of the assumptions of no pressure drop and the units are operating at
atmospheric pressure. The fluid package used are Advanced Peng-Robinson.
Dehydrogenation of n-heptane can yield toluene over a certain catalyst such as Cr 2O3. Catalyst as we know act as
agent to increase the rate of reaction without being consumed and remain at the final product. Increase of temperature of
feed stream which is n-heptane from 65F to 800F. Therefore the heater will get the job done. Next the feed stream which
the temperature has been increased to 800F fed to the catalytic reactor. The function of catalytic reactor itself is because
using a catalyst. This is where Cr 2O3 play it part in the process. The reactor which operates isothermally and converts
approximately 15 mol% of n-heptane to toluene. The cooler is needed then to cool the effluent back to 65F and will be
transfer to the flash separator. Main function of flash separator is to remove hydrogen from the reactor effluent. At 65F, two
product will be produced which is hydrogen-rich vapor product and a toluene/n-heptane liquid. Usually the distillation column
will recover the liquid product.
When the heater increased the temperature from 65F to 800F, the n-heptane is vaporised and turn into vapour
phase. This shown that the boiling point of n-heptane is below 800F thus turning its phase. As for the conversion part, nheptane is converted 15% which was set from the reaction set. The catalytic reactor is used and the mole fractions of the
product streams are:
Stream 3

n-heptane

: 0.5313
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Hydrogen: 0.3750

Toluene

: 0.0938

Stream 4

n-heptane

Hydrogen: 0.3761

Toluene

: 0.5303

: 0.0936

As the feed run through the cooler and into separator, it will react as the flash vessel in the real process. The feed
stream into the separator contains 0.3918 vapor phase and 0.6082 liquid phase at 64.99F. The used of the
adjuster in HYSYS simulation is to adjust the material stream before and after the separator in order to remove the
effluent at least up to 96%. The cooler act to suddenly decline the temperature and increased the liquid phase, so
that as it feed into the separator, a part of the liquid will flashes into vapor.
As the separator complete the process, the mole fractions of the products are:
Stream 6

n-heptane

Hydrogen: 0.9558

: 0.0384

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Toluene

: 0.0058

Stream 7

n-heptane

Hydrogen: 0.0009

Toluene

: 0.8488

: 0.1504

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