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Shortcut Simulation: Figure 1: Flow Sheet Shortcut Column
Shortcut Simulation: Figure 1: Flow Sheet Shortcut Column
Problem/objective
The shortcut simulation delimits the optimum operating range of a rectification column for
almost ideally behaving mixtures. The results are to be regarded as reference values only. A
detailed column simulation and the simulation of non-ideal mixtures are performed with a
rigorous column simulation, e.g. SCDS.
The advantages of the shortcut column are the delimitation of the reflux ratio and the direct
calculation of the feed tray. It offers a quick overview of the total solution.
This tutorial focuses on a simple two-substance mixture of benzene and o-xylene. This
substance is to be separated through rectification to achieve a minimum benzene purity of 99%
at the top. A benzene concentration of 1% shall not be exceeded on the bottom. The simulation
is performed via the shortcut column to determine the optimum reflux ratio and the feed tray.
The simulation is performed with CHEMCAD Steady State. Prior to the simulation, the
components and the thermodynamic models must be set.
At "Select Components", the components benzene (CAS no. 71-43-2) and o-xylene (CAS no. 95-
47-6) are selected. The subsequent "Thermodynamics Wizard" suggests a suitable model after
specification of the pressure and the temperature. For the given example, CHEMCAD suggests
the k-value model UNIFAC. For the enthalpy model, LATE (latent heat) is suggested.
This selection is a preselection made by the program, and should always be verified by the user
or synchronized with a decision diagram ([3], figure 8/9).
First, the T-x diagram and the phase diagram are generated at [Plot] [TPXY] to examine the
focused on process simulation
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behaviour of the mixture. The T-x diagram shows the boiling points, from which the light
component and the heavy component are easy to read. The equilibrium diagram shows that
the benzene/o-xylene mixture does not form an azeotropic mixture and that it features an
almost ideal behaviour. The shortcut simulation can be used for the mixture.
The UnitOp (unit operation) for the shortcut column is entered in the flow sheet and allocated a
feed stream and two product streams. The feed stream is set with the data stated in table 1
(see figure 3).
The first selection option, "Rating: Fenske-Underwood-Gilliland", cannot be used for the design.
It is used if the column data are already available and to get a quick overview of the separation
behaviour.
The other two options, "2 Design; FUG with Fenske feed tray location" and "3 Design; FUG with
Kirkbride feed tray location", are required for the design of the shortcut column. The difference
between these methods is summarized in table 2.
̇ ̇ ̇
̇ ̇ ̇
̇ ̇ ̇ ̇
̇
̇
̇ ̇
̇ ̇
____________________________
1
Löwe, Eberhard : Destillation Rektifikation, TFH Berlin, 1989
The apparatus energy curve shows that the number of stages reduces with increasing
ratio . However, when selecting the optimum ratio, please note that an increase in ratio
also increases the evaporator output and thus the operating costs.
is applied as optimum ratio and the simulation restarted.
The calculated column properties are displayed in the settings window of the shortcut column
(see figure 6). The theoretical number of stages calculated with the entered data is 13. The feed
tray is on the 7th stage. The results of the reflux ratio, minimum number of stages, evaporator
and condenser output are also listed.
The properties of the process streams (see figure 8) are displayed at [Format][Add Stream
Box].
Fundamental principles
In the following, we will enhance the basic theoretic knowledge behind the shortcut function
and provide more detailed information.
The shortcut method allows an easy and fast estimation of the column properties for
separating ideal mixtures, because the system discussed herein is substantially simplified.
The simplification of the shortcut method is that the mixture to be examined is reduced to a
binary system. The two components to be separated are referred to as light and heavykey and
examined in the idealised calculation. Further components influence the relative volatility but
will not be considered further for this calculation.
Another simplification is that the relative volatility and the separation factors are assumed to
be constant within the examined temperature range. The relative volatility is defined as:
(1)
(2)
with the partial pressure pi, and for the liquid phase fraction Raoul's law
(3)
With the activity coefficient and the steam pressure , one arrives at
(4)
For the calculation of the relative volatility, CHEMCAD merely requires the activity coefficients
and the steam pressure of the light component and the heavy component.
The calculation saved in the shortcut model takes place according to the calculation methods
by Fenske, Underwood and Gilliland, which will be explained in the following.
̅ √ (6)
is the mole fraction of the light components at the top and the mole fraction of the heavy
fraction on the bottom.
In the next step, the minimum reflux ratio with an infinite number of plates is calculated with
the Underwood equation (7). This is an approximation calculation which depends on the phase
equilibrium and the feed properties.
[ ̅ ] (7)
̅
is the mole fraction of the light component in the feed. As a rule of thumb, the minimum reflux
ratio is multiplied with a factor.
(8)
The Gilliland equation is an empirical approach for determining the theoretical number of
plates. This empirical approach is displayed in a diagram and can be described with the
Molokanov equation.
This diagram can be found in the literature ([5], p. 199).
The feed tray can be determined in two ways. The first possibility is that according
to Fenske. First, the number of plates at maximum reflux is determined via Fenske (9). This
number of plates corresponds to the number of plates required to achieve the desired top
concentrations of the light component and the heavy components in relation to the feed
concentration.
( )
(9)
̅
The minimum number of plates and the number of plates according to Fenske can now be used
to calculate the theoretical feed tray .
(10)
̇
[( ) ( ) ] (11)
̇
with
(12)
www.chemstations.eu
Authors:
Lisa Weise
Daniel Seidl
Sources:
[2] Gmehling, Jürgen: Kolbe, Bärbel: Kleiber, Micheal: Rarey, Jürgen: Chemical Thermodynamics
for Process Simulation. Wiley-VCH Verlag, 2012
[4] Schmidt, Wolfgang: Ideales Phasengleichgewicht und Shortcut Kolonne, July 2011
Formula Meaning
̇ Mass stream
Mole fraction
Mass fraction
Reflux ratio
Relative volatility
k factor
Mole fraction in the liquid phase
Pressure
Saturation pressure
Number of stages
̇ Mole stream
List of indexes
Indexes Meaning
F Feed
D Distillate
B Bottom
L Light component
H Heavy component
min minimum:
1,2 Component 1 & 2
i i-te component