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CC-Dynamic Column
a new feature of Chemstations
Author: Dipl.-Ing. Wolfgang Schmidt
Chemstations Deutschland GmbH
Augustastr. 12 - D -46483 Wesel
Tel. +49-281-33991-0 Fax +49-281-33991-33
email::chemstations@t-online.de

Recently the process simulation program CHEMCAD has been extended with
the addition of a new product, CC-Dynamic Column. With this new program,
processes dependent on time can be simulated. Simulation of mass and energy
balances in a distillation column has been part of CHEMCAD for more than 10
years; the new dynamic model CC-Dynamic Column allows the investigation of
the control responses and column stability under upset conditions. With this tool
field tests are no longer necessary, due to the fact that during plant design the
best strategy can be found and tested. Moreover previous jobs can be simulated
and optimised. Therefore, the CC-Dynamic Column represents an optimisation
tool in order to achieve the utmost best results with the lowest amount of effort.
The danger of producing off specification material is reduced.
The following example deals with the dynamic simulation of a distillation column.
In order to simulate the entire time behaviour a simulation of the column alone is
inadequate. The controller, controlling valves and dynamic vessel are also
required for the total simulation. Figure 1 shows such a distillation column
consisting of the systems

condenser
distillate receiver
distillate pump
reflux drum
reboiler system
side stream draw-off

bottom draw-off
condenser pressure control
distillate draw-off control
side stream draw-off control
reboiler heating control
product draw-off control

Figure 1
Flowsheet of a dynamically simulated column

The user can create this flowsheet easily, using the mouse. From the symbol
palette the appropriate unit operations can be selected and then connected with
lines, which represent the streams. Thus the complete column set up can be
modelled. Changes can be made, swiftly and easily at any time. The subsequent
specification of the individual unit operations and the feed streams as well as the
choice of the thermodynamic model complete the preparations for the simulation.
Mathematical inputs such as differential equations are not necessary.

The PID controller will be used as an example to demonstrate how easy the
input of necessary parameters is. A single click on the appropriate symbol opens
the menu pages. These pages allow the simulation of the plant to be defined.
All data can be adjusted to every measuring parameter. At any time the user can
decide how to enter the pressure, in bar or atm. The integrated database gives
evidence about the physical properties used for the single components.

Figure 2
Input menu of a PID controller
It can be seen that the Proportional band, Integral time and Derivative time
values can be entered (66.7, 3 and 0 in this case). The controller sends a 4
20mA signal to the control valve no. 2. The controller calculates its output from
the difference formed by the pressure in unit operation 1 (column) and the given
pressure (1.01325 bar). The signal sent by the controller to the control valve
adjusts the valve position according to its control parameters, thus allowing
more or less cooling water to run into the condenser. This influences the
pressure in the condenser, thus allowing the system to achieve steady state. In
this simulation, 6 control systems are modelled. This, together with the column
loading itself, represents a typical set-up used by many companies.
In this example the purpose of the distillation is to separate a mixture consisting
of methanol, acetone, ethanol and water. Here the low boiling acetone should
exit the system as pure as possible.

The feed mixture is formed from 3 feed streams, which are fed to the column,
see fig. 3. The simulation shows the results obtained during 300 minutes, i.e. in
5 hours. The complete simulation time using a typical PC normally takes only
minutes. A single simulation of a column needs only seconds.

Figure 3 - Composition of column feed streams

For this example a column with 50 theoretical stages is available. NRTL serves
as the thermodynamic model, and all binary parameters are available in the
CHEMCAD database. There are approximately 20 thermodynamic of which
UNIFAC or PSRK could be chosen.
.

Figure 4
NRTL parameters for 4 components

Figure 4 shows the NRTL parameters of the 4 components. With this model, in
combination with the binary parameters, the vapour-liquid behaviour in the
column, on each of the 50 stages, as well as the vaporisation and condensation,
is simulated. The integrated database contains more than 1800 gases, liquids,
solids and electrolytes, the parameters for physical properties mainly coming
from the DIPPR (USA) database and more than 6000 binary data from the
DECHEMA data bank.

The condensation takes place using cooling water. The flow of water is
controlled via pressure in order to maintain a condensation pressure of 1.013
bar. The actual pressure behaviour versus time is shown in the figure 5. It is
interesting that initially the pressure shows a short and strong peak, but after
approx. 10 minutes it stabilises.

The reality is that mass transfer and reduction of pressure in the column at startup cannot be achieved instantly thus leading to pressure turbulence during startup. This can be seen from actual operational data.

Figure 5
Loss of pressure during distillation

The flow of the distillate is dependent on the correlations for the control
responses and is not constant, it starts at 35000 kg/h, increases to 80000 kg/h
and gradually stabilises at 50000 kg/h as shown in figure 6. The reflux flow is
controlled constantly whereas the flow of distillate is dependent on the Level
control in the condensate collection vessel. This procedure is typical in practice
to achieve the aim of maintaining steady state conditions.

Figure 6
Amount of distillate during distillation

Likewise, the distillate composition, as shown in figure 7, is not constant initially.

The concentration of acetone is high at the beginning and stabilises at a lower
value after approx. 20 minutes. This is due to the high initial reflux ratio
compared to steady state conditions after the reflux ratio has stabilised.

Figure 7
Composition of the distillate

The changing value of the reflux ratio can be shown, although it is a

mathematical parameter. Figure 8 shows the reflux ratio during distillation.
Considerable deviations can be seen, especially during the first 3 minutes.
Initially the reflux ratio has a value of 2.5, which then drops dramatically down to
1, before finally stabilising at a value of 1.7.
.

Figure 8
Reflux ratio

If further investigations concerning the composition of the distillate allied with the
question of why the reflux ratio is so high at the beginning are required, then this
procedure is quite simple, as the programme (CC-Dynamic Column) not only
provides a great amount of graphical presentations but also allows adjustment of
parameters for PID controllers and control valves.

After each adjustment of the parameters the dynamical simulation can be run
again and the results can be viewed. Thus the engineer requiring preliminary
sizing data for a distillation column can now carry out a realistic PC simulation
and optimisation of the control and the can view the results. Thus it is possible to
obtain answers concerning start-up, intermediate and steady state behaviour.

The simulation is done in such a way that all unit operations, i.e. column,
controller, valve, etc. are elements in a differential equation, though each
individual unit operation is calculated at steady state. The corresponding EulerCauchy algorithm takes these elements as single functions and then they are

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considered in numerical order and solved within a defined range. Special

iteration methods are used to ensure an accurate simulation.

The column itself can be chosen with a number of theoretical stages, with stage
efficiency parameters and also as mass transfer columns with packing or trays.
There are many options for the column such as separation of two liquid phases,
extractive distillation, azeotropic distillation, reactive distillation, electrolyte
distillation, etc. these being selected by the user according to his requirements.

In order to compare several graphical presentations it is possible to show them

altogether on the screen. Figure 9 shows the graphs discussed above along with
a plot of reboiler duty versus time. This new data confirms that the reflux ratio
starts with a high value at the beginning of the distillation. The reboiler duty is
80500 MJ/h initially then increases rapidly 10 approx 110000 MJ/hr before
gradually stabilising at 100500 MJ/h. This initial oscillation, however, takes
approx. 160 minutes and thus influences the reflux ratio and subsequently the
separation efficiency of the column.

Figure 9
Multiple graphical presentation of several plots

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In addition CC-Dynamic Column allows the printouts of numerous data such as

column profile, composition of all streams, physical properties, design data and
cost calculation of the column. These are printed as text files or Excel tables.
With the CHEMCAD program, sensitivity studies and targets can be automated.
Phase equilibrium data can be shown in TPXY diagrams in order to estimate the
separation possibilities of binary components. It is also possible to obtain the
phase equilibriums from physical property data.
Examples as well as a tutorial are available for demonstration and trials. The
software is available free of charge for the period of 4 weeks.
CHEMCAD is an ideal PC Windows programme for the development and
optimisation of chemical processes. CHEMCAD has been successfully marketed
for 12 years and is distributed in Western Europe by Chemstations Deutschland
GmbH in Wesel who also render support and seminars. In England, the UK
agent is P&I Design Ltd, Thornaby, Cleveland. CHEMCAD was programmed and
developed in the United States of America.
June. 2000