Table of Contents

PROCEDURE:......................................................................................................... 2
PROCESS FLOW DIAGRAM..................................................................................... 6
QUESTIONS............................................................................................................ 9
DISCUSSIONS....................................................................................................... 10

PROCEDURE:
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1. Aspen HYSYS was opened and New Case was selected.

2. Component List was clicked and n-Heptane, Toluene and Hydrogen were added into
the Component List.

3. Peng-Robinson fluid package was selected as basis.

4. Then, reaction in term of conversion was added

5. Component was added and insert its stoichiometric coefficients.

6. Simulation was clicked and Palette appeared. Heater was added into flowsheet.

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

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8. Then choose cooler which connected from stream 3.

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

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

PROCESS FLOW DIAGRAM

WORKBOOK

Using Advanced Peng-Robinson fluid package as basis

Figure 1: Material stream

Figure 2: Compositions

Figure 3: Energy Stream

Using PRSV fluid package as basis

Figure 4: Material Stream

Figure 5: Compositions

Figure 6: Energy Stream

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QUESTIONS

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?

n-heptane
Hydrogen
Toluene

Stream 3
0.5313
0.3750
0.0938

Stream 4
0.5303
0.3761
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

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

n-heptane
Hydrogen
Toluene

Stream 6
0.0384
0.9558
0.0058

Stream 7
0.8488
0.0009
0.1504

DISCUSSIONS

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. There are various ways and processes of manufacturing toluene including decarboxylation,
Friedel-Crafts reaction and Wurtz-Fittig reaction. However,in this process, toluene is produced from n-heptane by dehydrogenation over a
Cr2O3catalyst adsorbed on Al2O3. So, the chemical equation involved is as below:

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C7 H16

C7 H8 + 4 H2

The production of toluene is produced from n-heptane by hydrogenation over a Cr 2O3 catalyst adsorbed on Al2O3. Catalyst is a
substance (usually used in very small amounts relative to reactants) that modifies and increases the rate of a reaction without being consumed
in the process. The usage of catalyst in process will result on faster reactions and will consume less energy. So, the existence of catalyst in a
process will give various benefits. It is good to have and use a catalyst in a reaction as for this process.
Dehydrogenation of n-heptane can yield toluene over a certain catalyst such as Cr 2O3. 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, n-heptane is converted 15% which was set from
the reaction set. The catalytic reactor is used and the mole fractions of the product streams are:

n-heptane
Hydrogen
Toluene

Stream 3
0.5313
0.3750
0.0938

Stream 4
0.5303
0.3761
0.0936

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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:

n-heptane
Hydrogen
Toluene

Stream 6
0.0384
0.9558
0.0058

Stream 7
0.8488
0.0009
0.1504

Fluid packages used in this lab are Peng-Robinson and PRSV. The reason two fluid packages had been use is to compare each other.
The different result can be seen at workbook part. Peng-Robinson (PR) is the most enhanced model in Aspen HYSYS. It has largest
applicability range in terms of T and P. Peng-Robinson has some special treatments for some key components. It was largest binary interaction
parameter database.

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