Exercise DP.

1:
Estimating Pure Component Properties in Hysys

Workshop Report Requirements:

1. Create a graph of the vapor pressure in psia of cyclohexanol, cyclohexanol and high boiler
as a function of temperature from 50 to 450 F. Print and submit these graphs.
2. Compare the pure component critical properties ( Critical Temperature, Critical Pressure)
given in the design problem statement against the values used by Hysys. ( To view properties
of a component, View the Basis Environment and then click the component of interest. You
can now View the component properties. Include this comparison in your report.

To accomplish this, it will be necessary to choose the appropriate base property package ( to
select the thermodynamic property models to be used in the simulation) , add the components,
and finally either tabulate or plot the desired data as a function of temperature. It should be
noted that the one component, the high boiler, is not listed in the Pure Component Library. So
we will have to create a hypothetical compound similar to the highboiler and generate its pure
component properties.

Instructions for Preparing the Input to this Problem:

1) Open Hysys and from the File Menu, choose New / Case. This will open the Simulation
Basis Manager as shown in Figure 1.

Figure 1:Simulation Basis Manager

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2) First, the desired fluid package ( ie. thermodynamic models) needs to selected. This is
accomplished by clicking the Add button. The Fluid Package: Basis 1 screen will appear.
From the list of packages choose the Wilson method as it is known to be accurate for this
system. The Vapor model should be set to SRK ( Soave-Redlich-Kwong) as the system is
not ideal. Note that the default selection is Ideal. If you click on this cell you can change the
selection. The value entry area is located at the top of the wndow. There is a small pull down
arrow which shows you available options. Select SRK from this option set.
3) Next click on the Components Tab.

To Add Components Listed in the Component Library:

1) The components that are listed in the library are cyclohexanol, cyclohexanone, and hydrogen.
To add these components do the following:

a) Type the name of the component to be added in the Match box, for example
hydrogen.
b) Hydrogen will appear in the component box. Highlight it and click on the Add Pure
button. This is all that is necessary to add a component that is listed in Hysys’s
library. Follow the same procedure and input cyclohexanol and cyclohexanone. The
results are shown in Figure 2.

Figure 2:Selected Components

1) Select the Hypothetical Option under Add Comps. The Hypothetical Manager page will
appear as shown in Figure 3.

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 Figure 3: Initial Screen for Creation of Hypothetical Group

2) Click on the Quick Create A Hypo Component button. This will bring up the screen shown
in Figure 4.

Figure 4: Component Builder

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3) The highboiler will be defined by inputting it's structure into HYSYS. HYSYS will then be
able to estimate the pure component data for the component. Click on the Structure Builder
button. This will bring up the following screen shown in Figure 5.

Figure 5: UNIFAC Component Builder

4) From this screen, one will be able to build a molecule based on sub-groups. Figure 6 is the
structure for the highboiler.

O
S S
OH

Figure 6: Molecular Structure of High Boiler

5) The results in Table 1 show what sub-groups are needed.

Note: This is a compromise. Ideally we should have used two saturated cyclic groups. But since
this group is not available in Hysys, we used smaller subgroups to construct the molecule. This
will result in some inaccuracies in our calculations. Since high boiler is present in only small
amounts in the system this should not be a problem.

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6) To build the molecule:
a) Find the sub-group, highlight it, and then click on the Add Group button. Also enter the
number of instances of occurance of the group in the molecule.
b) Once you have added all the necessary sub-groups, the status bar will read Complete.
c) Click Close
d) Then Click on the Estimate Component Properties button.
The highboiler’s properties have been estimated and now the component properties may be
plotted as a function of temperature.

Save your work into a file named dp1.

Name your simulation by using Simulation./Main Properties Menu. Enter the name of the
simulation as 477 Project or something similar and the Tag as XYdp1 where XY are your initials.
The name will appear on some of the reports you generate.

The Company name and Company logo that appears on your reports can be changed by going to
Tools/Preferences menu. Click on Reports Tab and then Company Info. Enter your company
name and logo here.

Generating Property Tables in Hysys.

To generate property tables you must define streams as Hysys is setup to computer properties of
streams only.

1) From the Simulation Basis Manager click on the Return to Simulation Environment button.
In this Environment you can enter
2) From the Object Palette ( which shows all available types of processing elements, double
click on the Material Stream ( This is the Blue arrow icon) button. Name the stream Feed
and enter the following information:
a) Temperature = 200 oF
b) Pressure = 300 psia
c) Mass Flow = 1000 lb / hr
d) Enter the molar compositions by double clicking on the Molar Flow. Specify this
stream is pure cyclohexanol. ( Enter mole fraction of cyclohexanol as 1 and all others
as zero.)
The completed stream block is shown in Figure 7.

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 Figure 7:
Feed Stream

Generate Property Table :

First we will estimate the molar heat capacity and density of the Feed Stream as a function of
temperature. The following steps accomplish this.

1) From the top pull down menu select Tools/Utilities. Choose Property Table from the list of
available utilities and click on the Add Utility Button.
2) Name the Utility Molar Heat Capacity and select the Feed Stream.
3) Set Independent variable 1 as Pressure and the mode as state. The mode determines whether
you want to state the actual values or use a range of values within specified upper and lower
bounds. Then enter the value as 300 psia. You can enter more than one state value if desired
( say eg. you also wanted the property at 200 psia). Next set the Independent variable 2 as
Temperature, mode as incremental and then set the upper bound as 400 F, Lower bound as 50
F and number of increments as 10.
Figure 8:Property Table
4) Next click on the Dep. Prop Tab. Under the Property Column chose molar heat capacity and
molar density. Be sure to have Liquid selected. The complete box is shown in Figure 9.

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 Figure 9:
Dependent Properties

5) To generate the Table simply click on the Calculate button. The results can be viewed by
clicking on the Table tab or the plot tab.You can print the plot by clicking the right mouse
button on the graph. The plot attributes can be controlled by selecting the graph control
option.
6) Generate a report on the property table just created by clicking the Tools/Reports button.
Click Create. Then click insert datasheet. Select the property table you just created and then
add it to the report. You can view the report before printing.

Generating Vapor Pressure Curve

To generate a vapor pressure table follow the same procedure as above except select the
independent variable 1 as Vapor Fraction and set its state to 0.5 ( 50% vapor). In the dependent
variables list select Bulk Pressure. This will give us the pressure at which 50% of the feed is
vapor under the specified temperature. Figure below shows the property table box. We used
50% vapor to see at what pressure vapor and liquid will coexist. Actually you could have used
any vapor fraction between 0 and 1 to get the same result.

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