Fractional batch distillation

Problem & solution principle

A mixture of three substances is to be separated by means of distillation. Afterwards, the
ingredients (benzol, toluene and o-xylene) are supposed to be available in almost pure form.
The possibility of fractional batch distillation is presented in this document for this purpose.
Batch distillation also allows the economic separation of smaller quantities of substance
mixtures with at the same time high flexibility regarding the design specification. Due to the
temporal dependence of the distillation process caused by the substance-specific boiling range,
batch distillation is a discontinuous distillation process.
A batch column with 5 collection tanks is used to accumulate the respective distillate. A socalled time switch between the tanks and the column ensures allocation to the respective
product tank.
Fig. 1 shows the layout of the process.

Fig. 1 Process flow chart

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Implementation of the batch distillation in CHEMCAD

To implement the process in CHEMCAD, the substance mixture must be defined, the flow sheet
generated and the design specifications established.
Once the substances benzol, toluene and o-xylene have been selected from the substance
database and the unit operation placed on the flow sheet, the still pot of the column is defined.
Fig. 2 shows the column options and fig. 3 the feed composition after the sub-item [Pot Charge]
has been selected.

Fig. 2 Batch column options

Fig. 3 Feed composition

The column properties are listed in the sub-item [Batch Column]. Fig. 4 shows the settings
options for the distillation1. As three main fractions and two intermediate fractions are to be
obtained, the "Number of Operation Steps" is set to 5. The number of stages is set to 10 2. The
condenser pressure is set to atmospheric pressure. Optionally it is possible to define pressure
losses within the column, or simulate a volume, mass or mol hold-up.

Due to the English term "batch distillation", we refer to distillation instead of rectification in this document
Here, the selection of the design and column parameters is based on experience; alternatively, a heuristic layout or
performing a sensitivity study is also a possibility
2

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Fig. 4 Design parameter settings for the column

The options sub-item [Operation Parameters] is selected to define the cycle. Now five
programme windows appear in which the stop values of the respective fraction can be set.
Fig. 5 shows the settings of the 1st main fraction. The reflux ratio and the distillation rate are
set to 102 and 100 kmol/h for all fractions, and the step size of the integration is set to 0.005 h.
At the start of distillation, almost only the benzol boils, which is why the stop value of the
fraction is set to 95 mol% in the first tank.

Fig. 5 Design parameters of the 1st main fraction

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Fig. 6 Design parameters of the 1st intermediate fraction

As
the
boiling
ranges
of
benzol
and
toluene
overlap,
the
1st intermediate fraction is stopped once the toluene concentration in the distillate is high
enough (95 mol%) to generate the 2nd main fraction (see fig. 6).
This is collected in the third tank. Here the process is stopped analogue to the
1st main fraction once the toluene concentration in the tank sinks and reaches 95 mol%. (See
fig. 7)

Fig. 7 Design parameters of the 2nd main fraction

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Fig. 8 Design parameters of the 2nd intermediate fraction

The 2nd intermediate fraction consisting of toluene and o-xylene is stopped

analogue to the 1st intermediate fraction once the o-xylene concentration is sufficiently high
with 95 mol% in the distillate flow (see fig. 8).
A time limit of one hour is selected as the stop option for the last main fraction o-xylene (see
fig. 9). At a distillation rate of 100 kmol/h and a feed volume of 100 kmol, batch distillation is
thus complete after one hour.
The distillation process has now been specified in sufficient detail.

Fig. 9 Design parameters of the 3rd main fraction

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Assessment of the simulation results

12 different parameters for recording during the simulation can be selected in the options
menu of the batch column (see fig. 2) at [Set Screen Information]. The mol break of the
components in the tanks is selected in order to be able to reproduce the concentration
progression of the individual components.
The concentration values in the tanks are now plotted parallel to the simulation.
Fig. 10. a shows the concentration progression in the first collection tank. As you can see in the
figure, the benzol initially flows into the collection tank with a concentration of 100%, and is
stopped after 0.335 h at 95 mol% as defined by the stop option.

Fig. 10 Concentration progression

a 1st main fraction;

b 1st intermediate fraction

The concentration progression of the 1st intermediate fraction in the second tank is shown in
fig. 10. b. The accumulation of the two-substance mixture benzol toluene is stopped once the
toluene concentration reaches 95 mol%.
Fig. 10 shows that the concentration progressions in the containers do not progress steadily in
the case of a sequence. For example, the toluene concentration at the end of the first
accumulation is approx. 6 mol%, but starts with a concentration of approx. 67 mol% in tank 2.
This is due to the short distillation times between the accumulations, in which the batch
column is operated with full reflux ratio in order to achieve the next minimum concentration in
the top.

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Fig. 11. a shows the progression of the mol concentrations in the third container. Analogue to
the 1st main fraction, it becomes evident that the 2nd main fraction consists of toluene and
that the stop option is once again 95 mol%.
The progression of the concentrations of the 2nd intermediate fraction (see fig. 11. b) is
analogue to the concentration progressions of the 1st intermediate fraction. However, here oxylene is the component with the higher concentration, and the toluene concentration
decreases steadily.
a

Fig. 11 Concentration progressions

a 2nd main fraction;

b 2nd intermediate fraction

The fifth and last container is fed with the 3rd main fraction, o-xylene (see fig. 12).
Accumulation ends once the batch distillation has been run for one hour.

Fig. 12 Concentration progression of the 3rd main fraction

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CHEMCAD makes it possible to record the concentration progression steadily across the
distillate flow. The option [Plot] [Dynamic Plots] [Batch Column History] is selected for
this purpose. Afterwards, the batch column is selected (see fig. 13).

Fig. 13 Dynamic column plot

This is followed by the selection of the components to be recorded together with a variable
(see fig. 14). The mol fraction in the distillate flow is now being observed. The result is output
immediately (see fig. 15).

Fig. 14 Setting of the dynamic column plot

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Fig. 15 Concentration progression in the distillate flow

Instead of the concentration progressions in the tanks, a steady concentration progression of

the components is displayed now. By comparing the respective concentration with the end and
start tank concentrations, the time periods can be determined with full reflux ratio and closed
time switch.
The simulation results are thus fully recorded.

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Optimisation of batch distillation

Batch distillation can be optimised with respect to several parameters, such as the energy input
in the column, the distillation time or the heating costs. In view of the product specification, it is
however expedient to optimise the distillation with regard to the purity of the product. As
absolute purity can only be approximated, the aim is to achieve a compromise between the
desired concentrations and realistic energy expenditure.
In addition, batch distillation can be adapted to a constant reflux ratio or a constant top
concentration.
In case the feed pot heats up excessively, it is possible to switch to a total reflux ratio and thus
approach a new duty point without loss of distillate. The energy expenditure can be optimised
with a good column insulation.
Operating and cost data can also be included in the simulation in real time. The tutorial
"Mapping in CHEMCAD" at www.chemstations.eu provides further information on this topic.
The simulation discussed in this document was generated in CHEMCAD 6.5.3 and can be used in
all versions as of CHEMCAD 5.

Are you interested in further tutorials, seminars or other solutions with CHEMCAD?
Then please contact us:
Mail: support@chemstations.eu
Phone: +49 (0)30 20 200 600
http://www.chemstations.eu/

Authors:
Daniel Seidl
Meik Wusterhausen
Armin Fricke

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