Recent Researches in Educational Technologies

Application Of iCON Software In Solving Vapor-Liquid Equilibrium

Problems
SITI ROZAIMAH SHEIKH ABDULLAH1,2, MASTURAH MARKOM2 AND MOHD IQBAL
RAZAK2
1
Deputy Head Centre for Engineering Education Research,
2
Department of Chemical and Process Engineering,
Faculty of Engineering and Built Environment,
Universiti Kebangsaan Malaysia,
43600 UKM Bangi, Selangor,
MALAYSIA
E-mail: rozaimah@eng.ukm.my
Abstract:- Solving vapor-liquid equilibrium (VLE) in thermodynamic problems through manual calculation
takes a long time to be completed because it requires iterative solution and involves too many formulas. In
petrochemical industry and chemical industry, fast and accurate calculations are very important to ensure
operation is running smoothly. iCON simulation software, developed by PETRONAS Sdn Bhd., can be used
to solve VLE problems. As such, its level of accuracy in solving vapor-liquid equilibrium problem needs to be
explored. The main objective of this research is to provide guidelines on how to solve VLE problems using
iCON software, drawing phase diagram of Pxy and Txy and compare experimental data with results generated
from iCON and another design simulator of HYSYS software. The results from both softwares showed that
the obtained phase diagrams are very close to the experimental data.

Key-Words:- VLE, iCON,design simulator,HYSYS

software can be used to enhance the learning and
teaching process of thermodynamics.
Equilibrium is a condition in which there is no
change in the macroscopic properties of a system
occurs over time. In engineering applications, the
equilibrium assumption warranted when the results
lead to a satisfactory accuracy. In an isolated system
which consists of two phases, vapor and liquid in
contact will reach a final state and leads to no
change in the system at any temperature, pressure
and the composition will remain constant. The
system is said to be in vapor-liquid equilibrium. An
important diagram showing the relation of vaporliquid equilibrium is a phase diagram. In terms of
thermodynamics, phase diagram is a curve showing
the variations of pressure and temperature at which
different phase change occurring in equilibrium
(Smith et al. 2005; Koretsky 2004; Sandler 2006).

1 Introduction

iCON is a software developed by the Malaysian oil

company, PETRONAS (Petroleum Nasional
Berhad) together with Virtual Material Group from
Canada. iCON software is based on the calculation
of thermodynamic and physical mechanisms. In
industry, this software is often used to predict the
behavior of the application process for the upstream
and downstream for oil and gas processes. The study
was carried out in order to give guidance on how to
use these software applications, particularly in the
vapor-liquid equilibrium. Selection of the correct
thermodynamic models for different processes is
very important to ensure the accuracy of the
calculations.
VLE
problems
include
the
determination of dew points, bubble points and flash
conditions (Smith et al. 2005; Kyle 1999; Sandler
2006; Smith 2004)
On the other hand, HYSYS, a software
developed by Hyprotech, to simulate chemical
plants and oil refineries. It includes tools to estimate
physical properties of substances, vapor liquid
equilibrium, material balance and energy balance
and simulation of various types of operation units in
chemical engineering (Wilcox 2009). All these

ISBN: 978-1-61804-021-3

2 Research Methodology
Phase diagram can be produced by iCON software
with a few steps. To draw a phase diagram, a
mixture of components should be ensured within the
appropriate thermodynamic model to ensure a
correct diagram is produced. The steps shown in

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Figure 1 will use ethanol and hexane as a binary

mixture and UNIQUAC and Redlich- Kwong

thermodynamic model. Figure 1 shows the step to

produce a phase diagram using iCON software.

START

Select the New Project Button to activate the property package and
select UNIQUAC for liquid and Redlich-Kwong model for the
Vapor model (Refer to Figure 2).
Click on the component tab and select ethanol and n-hexane. Click
Apply (Refer to Figure 3).
Open the display by clicking the VisioPFD icon.

Select the utility tab and drag xy diagram selection into VisioPFD.

Open xy diagram and select curve type (Pxy, or Txy) and cite a
component as the key component.
Fill in the information in the summary tab (mole fraction and
constant value for temperature or pressure) (Refer to Figure 4).
Click on the plot tab and the diagram is successfully produced.

Fig. 1: Steps to produce a phase diagram using iCON

Fig. 2: Selection of a thermodynamic model in iCON

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Fig. 3: Selection of compound or component in iCON

Fig. 4: Information that need to be filled in iCON

by both software were compared with the phase

diagram derived from experimental data.
Comparison is done according to curve bubble, P-x
and dew curve, P-y. In this comparison, components
selected were Methyl Ethyl Ketone (MEK) and
Toluene as binary solution at 50oC. The
experimental data was taken from Smith et al.
(2005). In both software simulations, Non-Random
Two Liquid (NRTL) and Peng-Robinson (P-R) are
used as thermodynamics models according to
Suppes (2009).

3 Results And Disscusion

Pxy diagram produced by iCON at a constant

temperature of 25oC was found to form a mixture of
azeotrope at a pressure of 25.6 kPa with the mole
fraction of liquid vapor mole fraction of 0.25 and
0.28 (Figure 5). Figure 6 show the phase diagram
drawn by using HYSYS. By comparison, it can be
seen that both software has produced the similar
shape of phase diagram.
To ensure that phase diagrams generated by the
software are correct, the phase diagrams generated

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Fig. 5: Pxy diagrams for the mixture of ethanol and hexane by iCON

Fig. 6: Pxy diagrams for the binary mixture of ethanol and n-hexane by HYSYS
mixture compared to the one generated by HYSYS
software. However, the result from HYSYS is still
in the acceptable range. Figure 11 that demonstrate
the comparison for P-y diagram also shows that
iCON simulation is closer to the actual data
compared to HYSYS.

Figures 7-9 show the -xy diagram for

experimental data, HYSYS and iCON simulation
respectively. Figure 10 show the comparative of
both software and experimental data P-x curve.
iCON software produced a bubble point curve that
is very close to the experimental data for this

Dew curve

Bubble curve

Fig. 7: Pxy diagrams for the binary mixture of MEK and Toluene based on the experimental data

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Fig. 8: Pxy diagrams for the binary mixture of MEK and Toluene from HYSYS

Fig. 9: Pxy diagrams for the binary mixture of MEK and Toluene from iCON

Experimental
Fig. 10: Comparative P-x diagrams of binary mixtures of MEK and toluene between experimental data,
HYSYS and the iCON

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Experiment
Fig. 11: Comparative P-y diagrams of binary mixtures of MEK and toluene between experimental data,
HYSYS and the iCON

[4] Smith, E. B. 2004. Basic Chemical

Thermodynamics. Ed. ke 5. Singapore:
Imperial College Press.
[5] Kyle, B. G. 1999. Chemical and Process
Thermodynamics. Ed. ke 3. New Jersey:
Prentice Hall.
[6] Elliott, J. R. & Lira, C. T. 1999. Introductory
Chemical Engineering Thermodynamics. New
Jersey: Prentice Hall
[7] Suppes, G.J. 2009. Selecting Thermodynamic
Models for Process Simulation of Organic VLE
and LLE Systems. Columbia: The University of
Missouri-Columbia.
[8] Wilcox, W.R. 2009. Generating binary and
ternary phase diagrams using HYSYS or
UniSim,
http://people.clarkson.edu/~wwilcox/Design/ph
asdiag.htm [12 Mei 2010]

4 Conclusions
The result form this study show that the phase
diagrams generated from both software iCON and
HYSYS are very close to the experimental data.
However, iCON is able to produce a curve that is
more accurate and closer to the experimental data.
Hence, the iCON simulator can be used as a tool in
the
learning
and
teaching
process
of
thermodynamics.
References:
[1] Smith, J.M., Van Ness, H.C. & Abbott, M.M.
2005. Introduction to Chemical Engineering
Thermodynamics. Ed. ke 7. New York:
McGraw Hill.
[2] Sandler, S. I. 2006. Chemical, Biochemical and
Engineering Thermodynamics. Ed. ke 4. New
Jersey: John Wiley & Sons.
[3] Koretsky, M. D. 2004. Engineering and
Chemical Thermodynamics. New Jersey: John
Wiley & Sons.

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