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Simulation of Reactive Distillation for synthesis of ethyl acetate in the process Figure 3 12: Aspen HYSYS reactive distillation process flow diagram (PFD)



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June 2015 Simulation of

Ethyl Acetate

Synthesis via

Reactive

Distillation

Bachelor Final Year Project

Student: Khairul Naim Bin Ahmad

Supervisor: Manuel José Lis Arias

Simulation of Ethyl Acetate Synthesis via Reactive Distillation | Khairul Naim Bin Ahmad

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Abstract

Ethyl acetate (EtAc) is mainly used as solvent in paints, adhesives and coatings, eliminating the use of

aromatic compounds. Reactive distillation is a type of process intensification in which the separation

and reaction is combined in one vessel. In this work, reactive distillation (RD) process for EtAc was

implemented using process simulator Aspen HYSYS by applying the data obtained from the bibliography. A sensitive analysis was performed to determine the effects of key design and operating variables on column performance and, subsequently, an optimal column configuration was obtained. Simulation of Ethyl Acetate Synthesis via Reactive Distillation | Khairul Naim Bin Ahmad

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Contents

Objectives ............................................................................................................................................... 3

Introduction ............................................................................................................................................ 4

Ethyl acetate ....................................................................................................................................... 4

Synthesis of ethyl acetate ............................................................................................................... 4

Reaction kinetics and parameters .................................................................................................. 5

Reactive Distillation ............................................................................................................................ 5

Principles of Reactive Distillation .................................................................................................... 7

Benefits and limitations of Reactive Distillation ............................................................................. 9

Applications of Reactive Distillation ............................................................................................. 12

Aspen HYSYS process simulator ........................................................................................................ 12

Simulation of Reactive Distillation for synthesis of ethyl acetate .................................................... 13

Methodology ......................................................................................................................................... 15

Process Description ........................................................................................................................... 15

Process development ........................................................................................................................ 17

Defining the simulation basis ........................................................................................................ 17

Add the feed stream ..................................................................................................................... 18

Add the distillation column ........................................................................................................... 20

Adding the reaction ...................................................................................................................... 22

Adding the reaction to the column ............................................................................................... 22

Results and discussions ......................................................................................................................... 25

Effect of feed temperature, TF. ......................................................................................................... 25

Effect of number of stages, n. ........................................................................................................... 26

Effect of kinetic model ...................................................................................................................... 27

Effect of the molar feed ratio of HAc to EtOH. ................................................................................. 28

Effect of reflux ratio, R ...................................................................................................................... 29

Effect of activity model ..................................................................................................................... 30

Effect of rectifying and stripping stages ........................................................................................... 32

Conclusions ........................................................................................................................................... 33

Nomenclature ....................................................................................................................................... 34

Bibliography .......................................................................................................................................... 34

Simulation of Ethyl Acetate Synthesis via Reactive Distillation | Khairul Naim Bin Ahmad

3 | P a g e

Objectives

a) To simulate the reactive distillation of esterification of acetic acid and ethanol using the

Aspen HYSYS process simulator.

b) To perform the sensitive analysis to determine the effects of operating variables on column performance (kinetic model, reflux ratio, molar feed ratio, number of stages, etc.) c) To obtain the optimum column configuration. Simulation of Ethyl Acetate Synthesis via Reactive Distillation | Khairul Naim Bin Ahmad

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Introduction

Ethyl acetate

Ethyl acetate is the organic compound with the formula CH3COOC2H5 and having a molecular weight of 88.10 gmol-1. This compound liquid is colorless, with a characteristically sweet, pleasant odor.

Ethyl acetate has been largely used as a solvent in paints, coatings, inks and adhesives. It has also

been used as a solvent in many chemical processes as a green alternative, eliminating the use of aromatic compounds, which generate serious damage to the environment and human beings [1].

Synthesis of ethyl acetate

Ethyl acetate can be produced industrially in three ways: the Fischer esterification process, Tishchencko reaction and the addition of acetic acid to ethylene.

Fischer esterification (Eq. (2.1)) is a classic process which ethyl acetate is formed by the reaction of

ethanol and acetic acid using acidic catalysts [2] such as sulfuric acid and para-toluene sulfonic acid

(PTSA) [3] [4]. %6*91*

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