TABLE OF CONTENTS

No. 1 2 3 4 5 6 7 Abstract

Contents

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Introduction Aim Theory Results Discussion Conclusion

ABSTRACT
In this experiment, toluene is produced from n-heptane by hydrogenation over Cr2O3 catalyst absorbed on Al2O3. By doing hysis we have to install and converge a conversion reactor. We also have to simulate a process involving reaction and separation. In this process n-heptane is heated from 65 0 F to 800 0F in a super heater with a molar flowrate of 100 lbmole/hr and fed to a catalytic reactor, which operates isothermally and converts 15 mol % of n-heptane to toluene. The effluent is fed to flash vessel to remove hydrogen from the reactor effluent at least up to 96%.We have to assume that all of the units operate at atmospheric pressure. Base on this condition we need to answer some questions by doing hysys. We have to find phase of n-heptane at temperature 650F and 8000F. Besides that we need to find what is the phase and temperature of the separator feed stream and also have to determine the mole fraction for each component at the outlet of the separator.

INTRODUCTION
Toluene is colorless, mobile liquid with a distinctive aromatic odor somewhat milder than that benzene. The name toluene derives from a natural resin. Toluene was discovered among the degradation products obtain by heating the resin. Prior to World War I, the main source of toluene was coke ovens. Trinitrotoluene was the preferred high explosive and large quantities of toluene were needed for its manufacture. Toluene was obtained for the first time from petroleum sources by subjecting narrow-cut naphtha containing relatively small amount of toluene to thermal cracking. Toluene is generally produced along with benzenes, xylenes and aromatic by catalytic reforming naphtha. Normally, toluene is in considerable excess whereas benzene is present in the main feedstock in proportions lower than market demand. Toluene is primarily used as a component in gasoline, and is extracted from reformate or other sources. Most toluene is used as a component of petrol. It is also used in paints, lacquers, inks, adhesives, rubber, and cleaning agents. It is used to manufacture benzene, urethane raw materials, and other organic chemicals, and in the production of pharmaceuticals, dyes, and cosmetic nail products. In Australia, it is used against roundworms and hookworms, in metal and timber coatings, in the dewaxing of lubricating oils and as a solvent in epoxy resins. The primary sources of toluene are the industries that manufacture it or use it in production. These include oil refineries, the chemical industry, rubber manufacturers, the pharmaceutical industry and manufacturers of paints, varnishes and lacquers. It is also emitted in metal degreasing and printing. These emissions are mainly to the air, but also to the soil and water. Residues may be

present in empty drums. Other possible emitters of toluene are vapours and spilling of petrol, commercial and household painting and paint, varnish and lacquer removal, tobacco smoke, and consumer products containing toluene. These emissions are to the air unless there is a spill. Natural sources of toluene include volcanoes, forest and bush fires and crude oil. Some toluene is found in vehicle exhaust.

Products include adhesives, auto polish and cleaners, floor polish, hard surface cleaners, paints, inks, paint cleaners, paint and varnish removers and thinners, coatings, particleboard, leather dressings, lubricating oils, fingernail enamels and removers, shoe polish and cleaners, solventthinned products (exterior stains, primers, interior stains, clear finish), colouring pens and markers, wood office furniture and vinyl flooring.

AIM
To install and converge a conversion reactor To simulate a process involving reaction and separation

THEORY

Industrially, toluene can be produced from n-heptane by dehydrogenation over a Cr2O3 catalyst according to the reaction:

CH3CH2CH2CH2CH2CH2CH3

CH3 + 4H2

The toluene production process is started by using a heater to increase the temperature of an n-heptane feed stream from 65oF to 800F. The process stream is then fed to a catalytic reactor, which operates isothermally and converts approximately 15 mol% of the n-heptane to toluene. Its effluent is cooled to 65F and fed to a flash separator. A hydrogen-rich vapor product and a toluene/n-heptane liquid product leave the separator at 65oF. The purpose of the
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flash separator is to remove hydrogen from the reactor effluent, and then a distillation column would normally be installed to recover toluene from the liquid product. Flash evaporation is the partial vapor that occurs when a saturated liquid stream undergoes a reduction in pressure by passing through a throttling valve or other throttling device. This process is one of the simplest unit operations. If the throttling valve or device is located at the entry into a pressure vessel so that the flash evaporation occurs within the vessel, then the vessel is often referred to as a flash drum. If the saturated liquid is a single-component liquid, a part of the liquid immediately "flashes" into vapor. Both the vapor and the residual liquid are cooled to the saturation temperature of the liquid at the reduced pressure. This is often referred to as "autorefrigeration" and is the basis of most conventional vapor compression refrigeration systems. In this process on the other hand, the cooler is used in order to reduce the temperature drastically to make the vapour stream go flashes. A reasonable assumption is that all units operate at atmospheric pressure and no pressure drop occurred. A process flow diagram of the entire process is drawn below in Figure 1.

Figure 1: Simple PFD shows the production of toluene

PROCEDURE

RESULT

Figure 1: The HYSYS simulation of the production of toluene

1. What is the phase of n-heptane at 65 0F Liquid phase 2. What is the phase of n-heptane at 800 0F Vapor phase 3. What is the mole fraction for each component after conversion of 15% of n-heptane?

Vapour stream n-heptane 0.5313 Hydrogen 0.3750 Toluene 0.0937

Liquid stream n-heptane 0.5294 Hydrogen 0.3771 Toluene 0.0937

4. What is the phase and temperature of the separator feed stream? The feed stream into the separator contains 0.3898 vapor phase and 0.6102 liquid phase at 60.97F

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

Vapour stream n-heptane 0.0341 Hydrogen 0.9607 Toluene 0.0052

Liquid stream n-heptane 0.8488 Hydrogen 0.0009 Toluene 0.1503

DISSCUSSION

The production of toluene came from many processes and reactions such as FriedelCrafts reaction, decarboxylation, wurtz-Fittig reaction and reaction using Grignard reagent. As for this report, the production of toluene is produced from n-heptane by hydrogenation over a Cr2O3 catalyst adsorbed on Al2O3. 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. Dehydrogenation of n-heptane can yield toluene over a certain catalyst such as Cr2O3. 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 Cr2O3 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. Based on Figure 1, the phase of n-heptane at 65F is liquid, it is shown that the feed is liquefied before entering the heater. As 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: Vapour stream 1. n-heptane 0.5313 2. Hydrogen 0.3750 3. Toluene 0.0937

Liquid stream 1. n-heptane 0.5294 2. Hydrogen 0.3771 3. Toluene 0.0937 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 0.3898 vapor phase and 0.6102 liquid phase at 60.97F. 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: Vapour stream 1. n-heptane 0.0341 2. Hydrogen 0.9607 3. Toluene 0.0052 Liquid stream n-heptane 0.8488
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Hydrogen 0.0009 Toluene 0.1503

CONCLUSION
From this experiment, we can concluded that the value of conversion was depending on temperature. If the temperatre inlet is decreased, the conversion value will be increase.

REFERENCES
Look at the white A4 paper provided