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CSE-T-SCDS Kolonne EN PDF
CSE-T-SCDS Kolonne EN PDF
The simulation is performed with CHEMCAD Steady State. Prior to the simulation, the
components and the thermodynamic model must be selected. At "Thermophysical: Select
Components", the components benzene (CAS no.: 71-43-2), acetone (CAS no.: 67-64-1) and
cyclohexane (CAS no.: 110-82-7) are selected. The subsequent "Thermodynamics Wizard"
suggests a suitable model after specification of the pressure and the temperature. For the given
example, CHEMCAD recommends the k-value model NRTL. 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 synchronised with a decision diagram ([3], figure 8/9).
After closing the "Thermodynamics Wizard", the NRTL Parameter window opens (figure 2). It
lists the interaction parameters (BIPs: Binary Interaction Parameters) of each possible two-
substance mixture of the previously selected components. For the stated example, the two-
substance mixtures benzene/cyclohexane and acetone/cyclohexane are listed. Data for the
acetone/benzene mixture are missing. The missing NRTL data must be added; otherwise it is
assumed that the activity coefficient is one, followed by an ideal calculation of the respective
substance pair [6, chapter VLE]. The missing values can be calculated with UNIFAC and added.
There are three options to do this: "UNIFAC VLE", "UNIFAC LLE" and "modified UNIFAC".
For the stated example, the missing data is calculated using "UNIFAC VLE" and added. In case of
a miscibility gap, "UNIFAC LLE" must be selected. "Modified UNIFAC" should be selected for
high pressures and high temperatures.
Figure 3: Residue curve of the three-substance mixture benzene, acetone and cyclohexane
The residue curve provides information about the present azeotropes and about their boiling
points and those of the pure components. Figure 3 shows that there are two azeotropes in the
three-substance mixture, and that possible distillation limitations can thus be identified.
In the examined example there is a distillation limitation between the binary azeotropes that
cannot be exceeded during a rectification. Hence two distillation regions develop in which
different bottom components can be obtained depending on the feed composition.
The given feed (red dot) is located in the right distillation region. The low boiler, the azeotrope
of cyclohexane and acetone, with a boiling point of 53.85°C is located in this region. The
azeotrope is expected as top component. Benzene is the high boiler (boiling temperature
80.09°C) and removed as bottom component.
With the residue curve, it is possible to estimate possible top and bottom components
beforehand and select expedient rectification parameters accordingly.
The UnitOp (unit operation) of the SCDS column is entered in the flow sheet and allocated a
feed stream and two product streams. The feed stream is set to liquid boiling with the data
stated in table 1 (see figure 4).
By means of the residue curve, it has already been possible to discern the top or bottom
component to be expected. To verify this assumption, it is advisable to initially simulate the
column with infinitive reflux and assess the behaviour of the rectification column. In the
specifications, the reflux ratio is set to 1000 as top criterion. The mass flow is selected as
bottom criterion. Due to the infinite reflux ratio, 1000 kg/h will be discharged via the bottom.
The specification of the reflux ratio at the top and a discharged bottom mass flow are the
standard conditions with which the behaviour of a column should be examined. The settings
are illustrated in figure 6.
The SCDS column is supposed to converge for the selected settings. At "Format: Add Stream
Box" it is possible to output a value chart with the properties of the streams (figure 7).
We can see that - as expected - the azeotrope develops on the top (distillate) of the column.
The benzene fraction in the top is so slight that it is therefore regarded as zero. Due to the fact
that no component is extracted at the top, the composition of the bottom is the same as the
composition of the feed.
The expected results, which were already evident in the residue curve, are confirmed.
The required mole fraction of the benzene (bottom component mole fraction) is stated for the
bottom criterion. 99 % of the benzene is to be recovered. At the top, the recovery rate
(distillate component fraction recovery) of benzene is set at 1 % (figure 8).
The simulation is restarted, and the results are displayed in the Streambox and in the
UnitOpBox (figure 9). We can see that the desired purity is achieved in the bottom, and that
more than 99 % of the applied benzene is extracted. The azeotropic mixture is extracted at the
top.
A reflux ratio of 3.26 and an evaporator output of 1595.77 MJ/h are calculated with the stated
rectification parameters.
The number of stages and the feed tray were estimated at the start. Now the optimum number
of stages and the optimum feed tray can be determined with a sensitivity study.
To determine the optimum number of stages, the evaporator output is applied across the
number of stages and examined for a minimum.
The number of stages is varied from 5 to 50 and the evaporator output calculated for each
stage in the process (figure 10).
Once the sensitivity study has been performed, the data can be output in a diagram. In figure
11, the evaporator output is entered across the number of stages. Convergence problems occur
between stages 5 and 16. As of stage 24, the evaporator output takes on a constant minimum.
Figure 11: Influence of the number of stages on the evaporator output (sensitivity study 1)
We can see that the reflux ratio takes on a minimum around stage number 10. The lower the
reflux ratio, the lower also the energy consumption of the column. For this reason, the feed is
supplied at stage 10.
The column settings are adapted again, and the simulation is started.
It is advisable to check to what extent the feed position influences the equilibrium position
within the column. The temperature profile across the stages can be generated at "Plot: UnitOp
Plots: Column Profiles" (figure 13).
At the 10th stage, we can see that the position of the feed tray together with the feed
composition has a limited influence on the temperature profile within the column. The feed
position is therefore deemed optimal.
The properties of the streams and the column are shown at "Format: Add Stream Box und Add
UnitOp Box“ (figure 14).
We can see that the azeotrope consisting of cyclohexane and acetone is separated at the top of
the column. Benzene is only extracted in very slight quantities. Almost pure benzene is
obtained at the bottom.
The results show that it has been possible to reduce the evaporator output to 1355.03 MJ/h. It
has also been possible to reduce the reflux ratio to 2.58.
This tutorial investigates the simulation of the rigorous column SCDS. No simplifications are
made in the calculation of rigorous columns, which is otherwise the case with the shortcut
method. Each tray is balanced individually, which results in a complex equation system that
must be solved by means of numerical algorithms. The rigorous column simulation is
mathematically more extensive in comparison to the shortcut method, but provides much
more exact and realistic results.
Ideal mixtures can be quickly displayed as rough estimates with the shortcut column. The
problem is, however, that it cannot be used for non-ideal mixtures, like for example azeotropic
mixtures, because it no longer reflects realistic conditions due to the pronounced
simplifications in the calculation. For this reason, rigorous column simulation is used for non-
ideal mixtures.
The SCDS column is one of the rigorous columns that can be used in CHEMCAD. SCDS stands for
"Simultaneous Correction Distillation System". It is a very versatile column model that is suited
for all rectification processes.
When calculating the rigorous SCDS column, a stationary state between liquid-vapour phase or
liquid-liquid phase is assumed for each tray. The following assumptions are made:
1) Each tray is defined as a thermodynamic system in which the phase equilibrium is
reached.
2) No chemical reactions occur.
3) The uptake of liquid drops in the gas phase and the inclusion of gas bubbles in the liquid
phase are not considered.
The thermodynamic system of a stage is illustrated in figure 15.
Feed ̇
Stage j
̇ ̇
Mail: support@chemstations.eu
Phone: +49 (0)30 20 200 600
www.chemstations.eu
Authors:
Lisa Weise
Sources:
[2] Gmehling, Jürgen: Kolbe, Bärbel: Kleiber, Michael: Rarey, Jürgen: Chemical Thermodynamics
for Process Simulation. Wiley-VCH Verlag, 2012
[7] Seader; Siirola; Barnicki: Perry's Chemical Engineers' Handbook, Section 13 Distillation, 7th
edition. McGraw-Hill, New York, (1997)
[8] Kontogeorgis, Folas: Thermodynamic Models for Industrial Applications, Wiley-VCH Verlag,
2010