A Step-by-Step Guide to Successfully Model Any Distillation Column

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 A Step-by-Step Guide to Successfully Model Any Distillation Column

Hi there!

Thanks for showing interest in this Step-by-Step Guide related to modeling of distillation
columns! The intention of this guide is to give you an exact description of all the steps that
are required in the process of distillation column modeling with special focus on
convergence and optimization.
This guide should be useful for all engineers dealing with distillation columns and for
simulation engineers who are looking to gain more knowledge.
These guidelines can enrich your knowledge and give you an overview of what it means
to be a successful simulation practitioner.

Hope you will find it useful,

Ivana

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 A Step-by-Step Guide to Successfully Model Any Distillation Column

About Distillation

Distillation is one of the most important operations in chemical engineering and also one
of the most challenging operations for modeling and control. Sometimes, calculating a
column using a process simulation package can be a time-consuming task.
The basis of distillation is phase equilibrium, specifically, vapor–liquid phase equilibrium.
Distillation is the process of separating the components or substances from a liquid
mixture by using selective boiling and condensation. An understanding of vapor–liquid
equilibrium is essential for the analysis, design, and control of distillation columns.
The design of a distillation column involves many parameters: product compositions,
product flowrates, operating pressure, total number of trays, feed tray location, reflux ratio,
reboiler heat input, condenser heat removal, column diameter, and column height.
Not all of these variables are independent, so a “degrees of freedom” analysis is useful in
pinning down exactly how many independent variables can be specified to completely
define the system.
A rigorous degrees-of-freedom analysis involves counting the number of variables in the
system and subtracting the number of equations that describe the system. The normal
situation in distillation design is that the feed conditions are given: flowrate, composition,
temperature, and pressure. The desired compositions of the product streams are also
typically known.

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 A Step-by-Step Guide to Successfully Model Any Distillation Column

A Step by Step Guide

1. Configuring a new simulation case – whatever process simulator software you

are using (Hysys, Aspen Plus, ChemCad, Pro II), the first step is to open a blank
worksheet and add a process equipment: column, condenser, reboiler (as part of
the column or separate), pumps and valves and add a streams between them.
Optionally, you can also define accumulation vessel for the condensate.

TOP PRODUCT

FEED

BOTTOM PRODUCT

2. Specifying chemical components – Next, we must define the chemical

components involved in the separation.

3. Specifying thermodynamics properties – Most of the software packages will

suggest the thermodynamic property package that suits defined components. If you
do not have any specific knowledge or requirements, it is best to use the suggested
thermodynamics package.

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 A Step-by-Step Guide to Successfully Model Any Distillation Column

4. Specifying stream properties - The input streams to the process must be

specified. In a simple case, as the basic column described above, there is only one
input stream, the column feed stream. The flowrate, composition, temperature, and
pressure of this stream must be specified. If you are using any additional input
streams such as steam for heating or additional feed, then those streams need to
be specified as well.

5. Specifying equipment parameters - The parameters for all the equipment

included must be specified by opening equipment icons and defining necessary
data.

6. Specifying pumps - if you do not have any specific data or requirements, it is

appropriate to make the assumptions that both pumps will generate a pressure
difference of 5 bars between suction and discharge. So, make the specification for
both pumps in accordance.

7. Specifying valves - The pressure at the exit of the feed valve must be equal to
the pressure on the feed tray. We do not know exactly what this is at this point, but
we will make an assumption and define it as slightly higher than expected to be on
a safe side for the calculation purposes. At this point, it is also possible to avoid
putting the valve into flowsheet and add it later when the column has converge and
pressure is known. After you have converged column, come back and adjust it.
For the other two control valves use the assumption of pressure drop of about 3
bars, if not defined differently with available data.

8. Specifying column parameters – The following parameters need to be defined:

 Number of stages - if you are calculating a known column and are familiar with
the column data, then use the parameter as defined in the documentation. If
not, make the assumptions to get the first results. Acceptable assumptions can
be to define 30 trays + 2 stages for reboiler and condenser.

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 A Step-by-Step Guide to Successfully Model Any Distillation Column

 Feed tray – Again, if you have known data, use them, if not, make an
assumption for the moment and set this in the middle of the column, on stage
16. Later, feed tray option can be further analyzed and optimized by finding the
tray that minimizes reboiler heat input.
 Pressure – The column top pressure and the pressure drop should be defined.
If you have known data, use them, if not, then you should look at the equilibrium
data for the defined system of components. Use the literature data to define
approximate pressure to calculate the first results. Once the column has
converged, the pressure should be adjusted in a way to enable the separation
while at the same time using the minimum energy. A reasonable tray pressure
drop is about 0.0068 bar per tray.
 Condenser – define it as total or partial if the distillate were removed as a vapor.
 Reboiler - the vapor from the reboiler is in equilibrium with the liquid bottoms
product withdrawn and is a major energy source for the column.

9. Convergence - a distillation column has 2 degrees of freedom once the feed,

pressure, number of trays, and feed tray location have been fixed.
At this stage of the simulation, the usual approach is to fix the distillate flowrate and
the reflux ratio. Later, once we obtain a converged solution, we will change the
specified variable so that the product specifications are met. Again, if you have an
approximate data, use them to get the results and then optimize the calculation to
meet the requirements. If you don’t have the specific data, specify an approximate
distillate flowrate and assume a reflux ratio.
The reflux ratio is the ratio between the amount of reflux that goes back down the
distillation column and the amount of reflux that is collected in the receiver
(distillate). The range of reflux ratio is very wide. In practical experience, it can
range from 0.3 up to about 20. It also varies with the amount of the overhead
component(s) in the feed stream. For example, separation of iC4 and nC4 can have
reflux ratios from about 10 to about 20 with the only change being the amount of
iC4 in the feed stream. Usually, the good start is assuming reflux ration of 10,
getting the column to converge and then decrease accordingly.

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 A Step-by-Step Guide to Successfully Model Any Distillation Column

The flowsheet is fully specified at this point and we are ready to run the simulation.
From the given descriptions, it should converge easily.

10. Obtaining the final results – having the column to converge is not enough to call
the distillation column model finished. The parameters should now be adjusted to
bring the required product quality and optimize operational conditions and energy
consumption.
Therefore, once we obtain a converged solution, we will change the specified variables
so that the product specifications are met. It is always a better way to adjust one
variable after another, so there is not too many disturbances in the calculation and
converged solution isn’t lost.

Other general considerations and adjustments to be done are:

 The easier the separation, the fewer trays are required and the lower is the required
reflux ratio (lower energy consumption), so those parameters need to be explored
and adjusted further.
 The higher the desired product purities, the more trays are required.
 The lower the pressure, less energy is needed for separation, so also adjust
pressure accordingly.

Have in mind that once you have the converged column, save your work and keep it aside
as a backup. Because any explorations and calculation that can follow could disturb the
stability of calculation and result with the lost work.

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 A Step-by-Step Guide to Successfully Model Any Distillation Column

Reference:
1. Distillation Theory and Its Application to Optimal Design of Separation Units,
F.B.Petlyuk, 2004
2. Distillation Design and Control Using Aspen Simulation, William L. Luyben: 2006