LAB REPORTS

PROCESS SIMULATION

MUHAMMAD HASEEB
TABLE OF CONTENTS

Lab # 1
Objective :Introduction to ASPEN HYSYS and Simulation of Mixing and Heater.
Lab#2
Objective: To simulate two different problem using aspen plus
Lab # 3
Objective:
a) To determine the Bubble point, Dew point, Bubble pressure, vapor fraction, mass
fraction.
b) To determine the compressibility of nitrogen.
c) To determine the density of benzene.
Lab#4
Objective: Simulation of chapter 4 of aspen plus chemical engineering application book.
LAB # 5
Objective: To simulate the heater and heat exchanger on Aspen Plus and Aspen HYSYS.
Lab # 6
Objective: To simulate reactor on Aspen HYSYS and Aspen Plus.
Lab # 7
Objective: Simulation of Continuous Stirrer Tank Reactor of Aspen Plus.
Lab # 8
Objective:
1. Simulation of Catalytic reaction in a Plug Flow reactor on Aspen HYSYS.
2. Simulation of Multiple hot and cold stream by using Aspen Energy Analyzer.
Lab 9:
Objective:
1. "Simulation and Analysis of Pump Performance for Water Pressurization Using
Aspen Plus"
2. "Aspen HYSYS Simulation for Centrifugal Compressor: Determining Outlet Gas
Temperature, Polytropic Fluid Head, and Power Requirements for Natural Gas
Transportation"
3. "Comprehensive Analysis of Fluid Dynamics in a Pipeline System: Pressure Drop,
Pressure Distribution, and Temperature Profile Evaluation"
Lab # 10
Objective: Simulation of Separator by using Aspen Plus and Aspen HYSYS.
Lab#11
Objective: To simulate Examples of chapter 6 using Aspen HYSYS and Aspen Plus.
Lab # 12
Objective: Simulation of grand Composite curve , utility, and heat exchanger network by
using Aspen Energy Analyzer:
Lab#13
Objective: Design a possible scheme for process heat recovery by using Aspen Plus
 LAB 1

OBJECTIVE

The objective of the lab is to know about the fundamentals of Aspen HYSYS and Aspen Plus
while simulating basic mixer and heater issues using ethanol and water as input streams.

THEORY

This task is composed of multiple tasks.

1. Introduction to Aspen HYSYS and plus Mixer and Heater.

2. Simulate the simple mixer in the Aspen HYSYS and plus.
3. Simulate the simple mixer in the Aspen HYSYS and plus.

Aspen HYSYS is primarily used for steady-state process simulation. It is employed in

industries such as oil and gas, chemicals, and refining to model and optimize various
processes.

Features:

Process Modeling: HYSYS allows users to create detailed process models representing
different unit operations and entire process flowsheets.

Thermodynamics: It supports a wide range of thermodynamic models to accurately

represent the behavior of fluids under different conditions.

Heat Exchanger Network Design: HYSYS can be used to design and optimize heat
exchanger networks within a process.

Process Optimization: Users can perform optimizations to maximize or minimize certain

objectives, helping to find the most efficient design.

Aspen Plus is also a process simulation software, but it is focused on dynamic simulations
and detailed chemical engineering processes. It is commonly used for the design and
analysis of chemical processes.

Chemical Reaction Modeling: Aspen Plus allows for the detailed modeling of chemical
reactions, making it suitable for applications in the chemical and biochemical industries.

Process Analysis: Aspen Plus enables users to analyze the performance of different
process configurations and scenarios.
 • Property Methods: Like HYSYS, Aspen Plus supports various
thermodynamic models to accurately represent fluid behavior.

• Process Optimization: Users can optimize process designs for

certain objectives.

1. Mixer:

• In the context of cooking or baking, a mixer is a kitchen appliance used to

combine ingredients thoroughly. It often comes with various attachments
like beaters, dough hooks, and whisks to handle different types of mixing
tasks. There are hand mixers and stand mixers, with stand mixers being
larger and more powerful.

• In the context of audio and music production, a mixer refers to a device that
combines and processes audio signals from multiple sources. It allows you
to adjust the volume, tone, and other aspects of each input to create a
balanced output. Audio mixers can be analogue or digital and are
commonly used in recording studios, live sound setups, and home audio
systems.

2. Heater:

• Heaters are devices designed to generate heat. They come in various types,
including space heaters, water heaters, and central heating systems. The
purpose of a heater is to raise the temperature of a specific space or
substance.

• In the context of chemistry or science, a heater may refer to a device used

to apply heat to a reaction or a substance for various purposes, such as
chemical reactions, distillation, or maintaining specific temperature
conditions.

Aspen HYSIS Start-Up:

1. Start by opening the Aspen HYSYS. On the upper left corner, there would be the new
entrance. After you choose that option, a new screen will appear. It is now necessary
to work exclusively on that one concentrated tap.

2. At the top of the freshly opened screen, a ribbon will show. and a few settings in the
screen's left corner. The components list and fluid packages, which are the top two
possibilities on that property, are now indicated as incomplete with a half red circle.

3. Next, choose the component list and navigate to the page's bottom Add option.

4. Adding the elements you wish to feed as the entrance stream is the most important and
next step. The component name would be entered into the "Search for" field, and it
could be added by double-clicking it or by using the "add" button. The same process
can be used to add more inlet components if there are any. The red mark will go, and a
tick mark will appear on the components list once the components are added.

5. Choosing the fluid packages is the next task. The most important component is fluid
package selection since the simulation relies on it. The problem or question that is
posed determines which one is chosen. To choose the proper packets, one must first
 have a thorough understanding of the situation. Peng Robbinson is typically chosen for
straightforward problems when the only variables that need to be determined are
pressure, temperature, or flow rates. A dialog will appear after you pick the package;
you must click OK to alter the decision to Keep Components.

II.
Simulate the simple mixer in the Aspen HYSYS and plus.
▪ First, start aspen HYSYS and open a new document for simulation.

▪ Then select the ingredients you want to mix (in this case, water, and ethanol). Click
“Add” at the bottom of the worksheet to add a new one.
▪ Then search for items one by one and click "Add" to add them.

▪ Click "Fluid Package" in the left panel. Click on the "Add" button again and select
the required package from the available options, "Peng-Robinson" was selected for
the above question and complete the remaining items.
▪ Then click "Simulate" in the left bottom corner of the screen. A new window will
open containing a dialog box called "Model Palette".

▪ Search for mixer in the search section of the dialog box. Select the mixer and drag it
to the viewing area.
Then double click on the mixer and a new window will open for the mixer and name the
inlet streams as S1 and S2 and the output stream as S3.

Then click on “Worksheet” at the top of the newly opened window and specify the properties of
the input streams, such as temperature, pressure, and flow rate (molar or mass).
▪ After that click on the "Composition" option on the left side of the same window.
Add the composition of both streams; The simulation will be completed as indicated
by the green line at the bottom of the screen.

▪ Now all the properties of the stream are known, including its composition.

Model Layout

III. Fig 1. 3 : Model of a Mixer in ASPEN HYSYS

Performing it in ASPEN (PLUS)

Procedure
▪ First start the aspen plus and open the new sheet for the simulation.

▪ Then select the “Blank Simulation” and click on the create.

 Ater that a new window will open where components will be selected. Click on the find to
search for the desired components.

Search for the component and click on the “find now” to look for the searched component.

▪ Go to the methods and select “PENG-ROB” in the base method.

 Then click on the “simulation” at the bottom of the window. After that select the mixer from the
bottom and draw it on the sheet.

▪ Click on the material stream to add the inlet and outlet streams of the mixer.

▪ Double click on the stream to enter the conditions of the stream (temperature,
pressure, mass flow, and composition).
▪ Finally click on the “Run” which is at the top of the window.

▪ Click on the “Stream Results” from the left panel of the window and analyze the
properties.

Fig 1. 4 : Model of a Mixer in ASPEN PLUS

III. Simulate the simple mixer in the Aspen HYSYS and plus.

Procedure
▪ First, start Aspen HYSES and open a new document for simulation.

▪ Then select the ingredients for heating (in this case water). Click “Add” at the
bottom of the worksheet to add a new one.

▪ Then search the item and click "Add" to add them.

▪ Click "Fluid Package" in the left panel. Click on the "Add" button again and
select the required package from the available options, "Peng-Robinson" was
selected for the above question and complete the remaining items.
▪ Then click "Simulate" in the left bottom corner of the screen. A new window will
open containing a dialog box called "Model Palette".

▪ Search for heater in the search section of the dialog box. Select the heater and
drag it to the viewing area.

▪ Then double click on the heater and a new window will open for the heater and
name the inlet stream as S1, energy stream as E1 and the output stream as S2.
▪ Then click on “Worksheet” at the top of the newly opened window and specify
the conditions of the streams, such as temperature, pressure, and flow rate (molar
or mass).

▪ After that click on the "Composition" option on the left side of the same window.
Add the composition of stream.
 ▪ The simulation will be completed as indicated by the green line at the bottom of
the screen. Now all the properties of the stream are known, including the heat
flow.

Model Layout

Fig 1 .5 : Model of Heater in ASPEN HYSYS

Performing it in ASPEN (PLUS)

Procedure

▪ First start the aspen plus and open the new sheet for the simulation.

▪ Then select the “Blank Simulation” and click on the create.

▪ Ater that a new window will open where components will be selected. Click on
the find to search for the desired components.

▪ Search for the component and click on the “find now” to look for the searched
component.
▪ Go to the methods and select “PENG-ROB” in the base method.

▪ Then click on the simulation from the left bottom of the window and then select
the heater from “Exchangers” option and draw it on sheet.

▪ Double click on the stream to enter the conditions of the stream (temperature,
pressure, and composition).
▪ Then double click on the energy stream to give the start and end temperature.

▪ Finally click on the “Run” which is at the top of the window.

▪ Click on the “Stream Results” from the left panel of the window and analyze the
properties.
 Fig 1 .6 : Model of Heater in ASPEN PLUS

Conclusion:
In this lab, a greater understanding of mixing and its applications is provided through the
simulation of a mixer using ASPEN HYSYS and ASPEN Plus. Heat flow and temperature
profile can be better understood by simulating heaters in ASPEN HYSYS and ASPEN
Plus. These results hold significance for enhancing the heating procedure, diminishing
energy usage, and elevating overall efficacy in industrial settings. Process optimization,
scalability, and tool selection are further benefits of simulation. Chemical engineers and
scientists can learn a great deal from these simulations about how to optimize industrial
operations.
Lab Number 2

Objective:
The objective of the lab is to
• To perform simulation in ASPEN PLUS
• To simulate a sanitizer production process in ASPEN PLUS
• To simulate a mixer, heat exchanger, and a pump in series in ASPEN PLUS

Theory:
In chemical engineering the mathematical models are based on mass, energy, and momentum
balances. So, simulation in terms of chemical engineering is to solve the mass, energy, and
momentum balances. Although simulation is associated with use of computers, and they
really facilitate this. However, it is not limited to use of computers only and it can be done by
hand. Regardless, computers can really facilitate in the simulation process and has made this
easy to understand and perform. There are different simulation software’s available.
In today’s age, the simulation software’s are becoming more and more smart. Today each
industry has a simulation software to simulate that sector. Even the famous simulation
software providers provide different software packages or add ins along with the main
product tailored to the need of these specific industries. For example, ASPEN (a simulation
software provider) has ad-ins like ASPEN Petroleum Assays, ASPEN flare system analyser,
and ASPEN petroleum scheduler. Similarly, they have these for other industries like
pharmaceutical, fertilizer, and other chemical industries. The capability of these software is
not only limited to process but extends to supply chain management, marketing, and business.
ASPEN Plus is a strong and all-inclusive process simulation tool that comes along with
different ad-ins for specific applications. This software is a widely used simulation software
developed by ASPEN (Advanced System for Process Engineering) tech. Using this we can
model and simulate variety of processes. This software has all the capabilities of analysing,
simulating, and optimizing processes. It can also be even used for modelling complex system
involving number of components connected in a complex network with recycle and purge
streams. The software has built in libraries for each equipment and number of processes. It
also has data on various thermodynamic properties and parameters as well as the property
data for a large collection of chemicals. The software also has capability to handle chemical
reaction and kinetics.
Sanitizer is an important daily life product that is used by offices, hospitals, restaurant, and
individuals for the sanitization from various viruses and germs. There are different ways in
which it can be synthesized. Now, we will simulate one of the sanitizer production processes.
An ethyl alcohol-based hand sanitizer solution is being synthesized in Food Engineering Lab
of WKU. The composition of the formulation depends on the volume of the formulation.
However, the essential recommendations in the range of ingredients and composition of each
excipient used as a raw material for preparation of the sanitizer are Ethanol (96%), glycerol
(3%), hydrogen peroxide (98%), and water in which all percentages are volume by volume
ratios. The production process is continuous and 10L of sanitizer is produced every day.
Determine the mass fraction of each component after the sanitizer is produced from the
following combination of the ingredients at 27 degrees Celsius and 1 atm pressure.
Component Volume (L)
Ethanol 8.3333
Glycerol 0.148
H2O2 0.4167
Water 1.102

Simulation steps Plus:

1. In the first step First, we select the component. There are different components that
can be added. In a single simulation model a list of components can be added. To add
a particular component, click on the add button. A new window opens as shown in
Figure 1.
2. In figure 1 we see three criteria by which you can search the desired component. The first
one is beginning with, second is contains, and third is equal. If you know the starting name of
chemical use begin with and choose the component from the list. If you know a word that
compound has then use contains. If you exactly know the name of compound the use equals.
3. Once you type the name click find now. Select the component and click on add component.
First add water in this way.

Figure 1: Adding Component in Plus

4. Then add hydrogen peroxide, ethanol, and glycerol by repeating this process otherwise, close
the window. In the end you get a list of components like this:

Figure 2: Final list of components

5. After that click on the methods option in the side bar. A new window appears. In this window
and in the method name section click on the downward arrow or search the method you want
to use. Choose the method and it would be selected. These are actually methods that will be
used in simulation. From these methods you can choose the package including necessary
models for calculating various thermodynamic properties. Choose the Peng-Rob for Peng-
Robinson Method.
 Figure 3: Method Selection

6. Then click on the simulation option in the side bar. A blank flowsheet window appears. On its
bottom we can see a component window or model palette from which we can add our desired
component.

Figure 4: Process Flowsheet

7. From this component window or model palette choose the desired component and drag it to
blank flowsheet. The component would be added. You can also right click and choose to add
from the menu as well. For this process simulation add a mixer.
8. On the leftmost side of model palette select if you want to input or output a material or energy
stream.
 Figure 5: Model Palette

9. Once you select that stream just drag the input or output arrow to desired location. Add four
streams in the input section and one stream as output. Once you do this press the escape
button. Your streams would be added as shown in Figure.

Figure 6: Adding streams.

10. Adjust the streams to suitable locations by clicking on any stream and then adjust it to desired
location.

Figure 7: Arranging streams.

11. The streams are automatically named as 1, 2, 3, 4, and 5. The material streams are solid while
energy is dotted. Similarly material stream moves from left to right while energy moves from
 bottom to top. The streams can also be renamed as well. For example, streams can be named
Ethanol, Water, H2O2, and Glycerol.
12. Then click on the stream section on the side bar and then select ethanol stream first. A
window appears as shown in Figure. In this enter the temperature of 27C and pressure of 1
atm. In the total flow basis select the volumetric flow and units of liter per day in total
flowrate. Then enter the value of 8.3333 according to data given in problem. Then in the
composition select Stdvol-Frac for standard volume fraction. Enter the composition or
fraction of ethanol as 0.96 and for water 0.04. Make sure the total sum is equal to one.

Figure 8: Ethanol streams

13. Then select glycerol stream. A window appears as shown in Figure. In this enter the
temperature of 27C and pressure of 1 atm. In the total flow basis select the volumetric flow
and units of liter per day in total flowrate. Then enter the value of 0.148 according to data
given in problem. Then in the composition select Stdvol-Frac for standard volume fraction.
Enter the composition or fraction of glycerol as 0.03 and for water 0.97. Make sure the total
sum is equal to one.
 Figure 9: Glycerol stream

14. Then select hydrogen peroxide stream. A window appears as shown in Figure. In this enter the
temperature of 27C and pressure of 1 atm. In the total flow basis select the volumetric flow
and units of liter per day in total flowrate. Then enter the value of 0.4167 according to data
given in problem. Then in the composition select Stdvol-Frac for standard volume fraction.
Enter the composition or fraction of hydrogen peroxide as 0.98 and for water 0.02. Make sure
the total sum is equal to one.

Figure 10: H2O2 stream

15. Then select water stream. A window appears as shown in Figure. In this enter the temperature
of 27C and pressure of 1 atm. In the total flow basis select the volumetric flow and units of
 liter per day in total flowrate. Then enter the value of 1.102 according to data given in
problem. Then in the composition select Stdvol-Frac for standard volume fraction. Enter the
composition or fraction of water as 1. Make sure the total sum is equal to one.

Figure 11: Water stream

16. Then in the home tab and run section click on run option.

Figure 12: Running simulation.

17. The simulation would start running. In the side bar in results summary section click on the
streams options to display results.

Results and Discussion:

When we click on the results summary, we get the following screen displayed. Here, only mass
fractions are the point of interest for this problem. Therefore,
From these results we come to know about mass fractions of each component in every feed stream as
well as product stream.

Simulation of components in series:

In ASPEN PLUS we can simulate any process equipment. We can simulate any single process unit or
combination of some units. These units can combine in series or in parallel.

Process Description 2:

Simulation Steps in Plus:

1. First, we select the component. There are different components that can be added. In a single
simulation model a list of components can be added. To add a particular component, click on
the add button. A new window opens as shown in Figure 1.
2. In figure 1 we see three criteria by which you can search the desired component. The first one
is beginning with, second is contains, and third is equal. If you know the starting name of
chemical use begin with and choose the component from the list. If you know a word that
compound has then use contains. If you exactly know the name of compound the use equals.
3. Once you type the name click find now. Select the component and click on add component.
First add water in this way.

Figure 13: Adding components in Plus.

4. Then add acetic acid and glycerol by repeating this process otherwise, close the window. In
the end you get a list of components like this:

5. After that click on the methods option in the side bar. A new window appears. In this window
and in the method name section click on the downward arrow or search the method you want
to use. Choose the method and it would be selected. These are actually methods that will be
used in simulation. From these methods you can choose the package including necessary
models for calculating various thermodynamic properties. Choose the Peng-Rob for Peng-
Robinson Method.
 Figure 14: Method Selection

6. Then click on the simulation option in the side bar. A blank flowsheet window appears. On its
bottom we can see a component window or model palette from which we can add our desired
component.

Figure 15: Process Flowsheet

7. From this component window or model palette choose the desired component and drag it to
blank flowsheet. The component would be added. You can also right click and choose to add
from the menu as well. For this process simulation add a mixer.
8. On the leftmost side of model palette select if you want to input or output a material or energy
stream.
9. Once you select that stream just drag the input or output arrow to desired location. Add two
input streams into the input section and one stream as output. Once you do this press the
escape button. Your streams would be added as shown in Figure.

10. Adjust the streams to suitable locations by clicking on any stream and then adjust it to desired
location.
11. The streams are automatically named as 1, 2, 3, 4, and 5. The material streams are solid while
energy is dotted. Similarly material stream moves from left to right while energy moves from
bottom to top. The streams can also be renamed as well. For example, streams can be named
Water, Glycerol etc.
12. Then from the model palette go to the pressure section and add a centrifugal pump in the
process as shown in the figure.

13. Double click on the outlet arrowhead of the mixer and drag it to the inlet of pump for
connecting the two components.

14. Then in the model palette go to the exchanger section and add a heater to the process as
shown in the figure.
15. Then double click on the outlet arrowhead of the pump and drag it to heat exchanger for
connecting both components. Add outlet of exchanger as well.

16. Then click on the stream section on the side bar and then select inlet of mixer stream first. A
window appears as shown in Figure. In this enter the temperature of 30C, pressure of 1 bar.
Choose the total flow basis as mole and its units as kilomole per hour. In the composition
section, choose molar flow and units of Kmol/h. Enter the flow of water and acetic acid as 50.

17. Then click on the stream section on the side bar and then select inlet of mixer stream second.
A window appears as shown in Figure. In this enter the temperature of 30C, pressure of 1 bar.
Choose the total flow basis as mole and its units as kilomole per hour. In the composition
section, choose molar flow and units of Kmol/h. Enter the flow of glycerol as 100.
18. Then go to main flowsheet and double click on the pump symbol/icon. A window would
open. In that window check the pump option and then discharge pressure option and enter
pressure of 5 and select units as atm.

19. Then again go to the main flowsheet and double click on heat exchanger. A window will
automatically open. In that enter temperature as 50C and pressure as 5 atm.
20. Then in the Home tab and run section, click on the run button. Your simulation would start.

21. Then go to stream results from side bar.

22. To find the duty of the pump go to the main flowsheet. Double click the pump symbol. Then
click on the results in navigation/side bar. The pump details would be displayed including its
duty.

23. To find the duty of the pump go to the main flowsheet. Double click the pump symbol. Then
click on the results in navigation/side bar. The pump details would be displayed including its
duty.

24. After this save the files and close ASPEN.

Results and Discussion:
The results for finding the duty of pump and heat exchanger for the specified process are as follows:

The results for the pump show that for increasing the pressure from 1 bar to 5 atmospheric pressure
we need a pump with the duty of 2.82137 KW. It must be noted that the pump is not 100% efficient
and only 43.2% efficient. The flowrate for this much power would be 180.031 Liter/minute and has
head of 34.1565.

The results for the heat exchanger show that to increase the temperature from 20C to 50C we need
heat duty of 36269.6 cal/sec.

Conclusion:
From these two problems we conclude that ASPEN Plus is a smart software. It can simulate a wide
range of processes and problems. The software has ability to handle multiple components feed. Using
the limited data provided by the user the software calculates a lot of properties and parameters of both
input and output streams.
It calculates the flow properties and composition of outlet streams based on the data provided in the
inlet. It can also handle multiple equipment and can simultaneously simulate these. For example, if a
process involves a pump and heat exchanger then it can calculate its duty.
Lab Task 03
Objective:
The objective of the lab is to

• To determine the bubble and dew point of a mixture of components using ASPEN PLUS
• To determine the thermodynamic properties of a pure component using ASPEN Plus
• To perform thermodynamic analysis on mixtures and pure components.

Theory:
Aspen Plus is a widely used process simulation software that plays a crucial role in determining these
points in various chemical processes.
In contrast, the dew point represents the conditions at which a vapor mixture just starts to condense
into a liquid phase as it is cooled or subjected to reduced pressure. At the dew point, the first liquid
droplet forms within the vapor phase.

Role of Aspen Plus:

Aspen Plus is a powerful process simulation software that is used for process design, optimization,
and analysis. It plays a significant role in the determination of bubble and dew points by simulating
complex chemical processes involving multiple components.
In summary, bubble and dew points are crucial for phase equilibrium analysis in chemical engineering
processes, and Aspen Plus is a versatile tool that facilitates their determination and helps engineers
and researchers design, optimize, and analyze complex chemical processes.

Task 1: Determining the Bubble and Dew Point of a Mixture

Figure 16: Example 4.3 Chemical Process Design and Integration, 1st Edition
Procedure:
In the first step simulate this process in ASPEN Plus follow the following steps:
First click on the ASPEN Plus icon and start the ASPEN Plus software.
Once the software loads and starts, then click on the New Simulation option.

Figure 17: Starting Simulation Model

A new window will automatically open. In this window you can see two options. Click on the blank
simulation option. Then click on the create button as shown in the figure below:

Figure 18: Starting Blank Simulation Model

The component window appears automatically. In this window under the Component ID column type
the name of the compound that you want to add, or you may need. For example, we have entered
Ethane. Then once you enter it press the enter key. The component would be added. If you don’t know
the name or spelling of the compound an alternative way to add component is by clicking on Find
button below and search for your compound and then click on the add button.

Figure 19: Adding Components

In the next step Once the component is added its chemical formula, name, and function group or other
details would appear. We can add more components in this way. For example, for this problem we
required ethane, propane, butane, pentane, and hexane. Therefore, we added all these components.
The final list of components is shown below:

Figure 20: List of Required Components

Now that the components are added we need to add our method. For this in the side bar click on the
Methods. A new Window would automatically open. In this window you can see multiple options. In
the Method filter choose Common and in the Base Method and Method Name choose Ideal.
 Figure 21: Adding Method

Once this step is completed, we click on the Property sets in the side bar.

Figure 22: Selecting Property SetA new window with the title Property Set automatically opens. The window is completely
blank and only a few options can be seen. We then click on the New option.

Figure 23: Creating New Property Set

A new dialogue box appears and asks for the property ID. Enter any name without spaces. Then press
OK.
 Figure 24: Entering Property ID

Once we click OK, a new window with the title Property Set followed by the name we entered would
appear. In this window a search option can be seen. Click on this option.

Figure 25: Editing Property Set

In the next step Once this is done a new window opens. The title of this window is Find Properties. In
this window a list of properties can be seen. However, for one property set it is recommended that
only a single property must be selected. Although more than one property can be selected but the
problem with these is that when the results are displayed, we need to choose the property which we
want to display and other one would be hidden. To search the property, go to the search bar and click
on it. Type the keyword related to the property. For example, we want to add Molar Liquid Phase
Fraction and for this we type the keyword liquid to narrow our search. Once the search narrows the
result, we can choose the property. To choose or select the property simply click on the checkbox
before that property. The property would be selected. Once this happen you can see the property being
added at the bottom half of the window. Here you can see what properties you have included in this
property set. You can also remove some properties from the property set here. As mentioned earlier, a
single property is enough for one property set. However, if one desires more properties to be added
then other properties can also be added by the same process. Once all the properties have been added
click on the OK button at the bottom. Then in the side bar click on the Property Sets or any other
option to leave that window.
 Figure 26: Adding Properties to Property Set

Similarly, more property sets and properties can be added. For this problem we required bubble point,
dew point, bubble point pressure, and vapor and liquid phase fractions. So, we added four property
sets for each and a single property set for liquid and vapor phase fractions.

Figure 27: List of Property Sets

In the Home tab you will find the Analysis section. In this section find the mixture option. Click on
the mixture option.

Figure 28:Starting Analysis

Once you do this a new Window with the title Mixture will automatically open. In this window we
can see all the components that were added in the first step. In this window first select the flow basis.
These bases are selected based on given data or on the choice of calculation. For this problem we have
chosen Mole basis. To select mole basis, click the downward arrow in the basis section. From this
select the Mole. Then select the appropriate units. For this problem we are given molar flows in
Kmol/hr so we have chosen the same units. Once the units are selected the values of the flowrates are
entered in front of the respective component. The mole fractions are automatically calculated.

Figure 29: Adding Flows

Once this is done, we select the variables. We select the manipulated variable as well as the parametric
variables. There are a variety of manipulated variables available like molar, volumetric, and mass
flows, mass, volume, and mole fractions, vapor fraction, and temperature. For this problem we have
selected temperature. Then there are three options. Equidistant, logarithmic, and list of values. We
chose a list of values for this problem. Then we select the units. As we have chosen temperature, we
are displayed with temperature units. We have chosen Kelvin for this problem. Next enter the
temperature as 313K.

Figure 30: Adding Manipulated Variable

Next, we need to add parametric variables. For this we first select our parametric variable which in
this case is pressure. Next based on the variable we selected we choose the units. Then finally we
enter the value of pressure as 6 bars.
 Figure 31:Adding Parametric Variable

Then we add the properties for which we want to see the results. So, for that we can add one, two, or
all the properties. The properties can be added by first selecting the property from the available
properties then clicking on the greater than signs. Once the user clicks these properties appear in the
selected properties option.

Figure 32: Selecting Properties to Display

Once this step is completed click on Run Analysis at the bottom of the window which appears in
green color. Once the simulation is Run, we can click on Results from the side bar to view results.

Figure 33: Running Analysis

Results and Discussion:
All the properties were selected and results for these properties were as follows:

Figure 34: Results

These results are obtained at pressure of 5 bar and temperature of 313K. At this pressure the dew point
temperature is calculated to be 359.014K while the bubble point temperature was found to be
295.193K. for the total condensation we require a pressure of 7.67505 bar. At 5 bar the liquid fraction
is 0.797534 while the vapor fraction of the mixture is 0.2202466.
Now for the solution of each part of the problem we need to give specific input.

Part a and b:
For part a and b, we need to find only the bubble point and dew point temperature at pressure of 5 bar.
So, we need to enter an initial estimate of temperature as temperature is the manipulated variable. The
pressure is entered as 5 bar. Only the dew point and bubble point are selected in this case. Once this is
done click on run.

Figure 35:Input for Part a and b

The results of part a and b are as follows:

 Figure 36: Results of part a and b

The results show that at 5 bar the bubble point is 295.193K while the dew point is 359.014K. The
results are correct as we expected that the dew point would be higher than the bubble point and
simulation shows the same results. The results are also very close to the analytical solution of the
problem.

Part c:
For part c we need to find the pressure at which all of the vapors would be condensed at 313K. So, for
that the input needs to change slightly. The manipulated variable is kept at 313K. The parametric
variable changes from pressure to vapor fraction. As all vapors are condensed, the vapor fraction are
zero. Then only the bubble point pressure is selected.

Figure 37: Input Part c

The results of part c are found by clicking on run.

Figure 38: Results part c

The results show that for total condensation of this mixture at 313K we need a pressure of 7.67507
bar.

Part d:
For part d we need to find the molar liquid and vapor phase fractions at 6 bar and 313K. So, we again
modify the input data. In the manipulated variable we enter a temperature of 313K. Then in the
parametric variable we enter a pressure of 6 bar. Then for the physical property select the vapor and
liquid fraction property package which in this case has ID VAPFRAC.

Figure 39: Input for part d

The results of part d are found by clicking on run.

Figure 40: Results for part d

The results for part d show that at pressure of 6 bar and temperature of 313K the liquid fraction is
0.892477 while the vapor fraction is 0.107524. These results are also acceptable as the liquid fraction
was lower and vapor fraction is higher at 5 bar pressure. Increasing the pressure to 6 bar resulted in a
decrease in vapor fraction and increase in liquid fraction. If we even further increase the pressure up
to the pressure found in part c which is 7.67507 bar, we get zero vapor fraction and 1 liquid fraction.
Hence all the vapors would be condensed, and the mixture would be in liquid phase only.
Task 2: Determination of Properties of Pure Substances

Procedure
To simulate this process in ASPEN Plus follow the following steps:
1. First click on the ASPEN Plus icon and start the ASPEN Plus software.
2. Once the software loads and starts, then click on the New Simulation option.

Figure 41: Starting Simulation Model

3. A new window will automatically open. In this window you can see two options. Click on the
blank simulation option. Then click on the create button as shown in the figure below:
 Figure 42: Creating New Simulation

4. The component window appears automatically. In this window under the Component ID
column type the name of the compound that you want to add, or you may need. For example,
we have entered Nitrogen. Then once you enter it press the enter key. The component would
be added. If you don’t know the name or spelling of the compound an alternative way to add
component is by clicking on Find button below and search for your compound and then click
on the add button.

Figure 43: Adding Components

5. Once the component is added its chemical formula, name, and function group or other details
would appear. We can add more components in this way. For example, for this problem we
require benzene. Therefore, we added both of these components. The final list of components
is shown below:

Figure 44: List of Required Components

6. Now that the components are added we need to add our method. For this in the side bar click
on the Methods. A new Window would automatically open. In this window you can see
multiple options. In the Method filter choose Common and in the Base Method and Method
Name choose Peng Robinson.
 Figure 30: Adding Method

7. Once this step is completed, we click on the Property sets in the side bar.

Figure 31: Selecting Property Set

8. A new window with the title Property Set automatically opens. The window is completely
blank and only a few options can be seen. We then click on the new option.

Figure 32: Creating New Property Set

9. A new dialogue box appears and asks for the property ID. Enter any name without spaces.
Then press OK.
 Figure 33: Entering Property ID

10. Once we click OK, a new window with the title Property Set followed by the name we
entered would appear. In this window a search option can be seen. Click on this option.

Figure 34: Editing Property Set

11. Once this is done a new window opens. The title of this window is Find Properties. In this
window a list of properties can be seen. However, for one property set it is recommended that
only a single property must be selected. Although more than one property can be selected but
the problem with these is that when the results are displayed, we need to choose the property
which we want to display and the other one would be hidden. To search the property, go to the
search bar and click on it. Type the keyword related to the property. For example, we want to
add Compressibility Factor and for this we type the keyword Compressibility or ZMX to
narrow our search. Once the search narrows the result, we can choose the property. To choose
or select the property simply click on the checkbox before that property. The property would
be selected. Once this happens you can see the property
12. Next, we have to enter the qualifiers for the pure component. The phase of the pure
component is vapor, so we entered that.
 Figure 35: Adding Qualifier

13. Similarly, more property sets and properties can be added. For this problem we required
compressibility factor and density.

Figure 36: Property Set List

14. In the Home tab you will find the Analysis section. In this section find the pure option. Click
on the pure option.

Figure 37: Starting Analysis

15. Once you do this a new Window with the title Pure will automatically open. In this window
we can see options for choosing the quantity we want to estimate. Choose the quantity to be
measured. Choose the phase as well.

Figure 38: Choosing Property and Phase

16. Once this is done, we select the variables. We select the manipulated variable as well as the
parametric variables. For pure components we have temperature as the manipulated and
pressure as the parametric variable. Then there are three options. Equidistant, logarithmic, and
list of values. We chose a list of values for this problem. Then we select the units. As we have
chosen temperature, we are displayed with temperature units. We have chosen Kelvin for this
problem. Next enter the temperature as 273.15K.

Figure 39: Adding Temperature

17. Next, we need to add pressure variables. For this we first select our parametric variable which
in this case is pressure. Next based on the variable we selected we choose the units. Then
finally we enter the value of pressure as 1 bars.

Figure 40: Adding Pressure

18. Then we add the component for which we want to see the results. So, for that we can add one,
two, or all the components. The components can be added by first selecting the component
from the available components then clicking on the greater than signs. Once the user clicks
these components appear in the selected components option.

Figure 41: Selecting Properties to Display

19. Once this step is completed click on Run Analysis at the bottom of the window which appears
in green color. Once the simulation is Run, we can click on Results from the side bar to view
results.
 Figure 42: Running Analysis

20. Repeat the analysis for different pressures.

Results and Discussion:

The results at different pressures are as follows:

At 1 bar:

At 5 bars:

At 50 bars:

The results show that as we increase pressure the value of the compressibility factor becomes less
than 1. This is true to our observations as gases deviate from ideality at higher pressures. So, as
pressure is increased the non-ideal behavior increases. As a result, the intermolecular forces play their
role in gaseous state. Similarly, density of benzene can also be determined in the same way.

Conclusion:
From this lab task, we conclude that the Bubble point and dew point are important properties of pure
components as well as a mixture of components. We also found that the dew point is always higher
than the bubble point. Also, if we increase pressure then the vapor fraction decreases due to
condensation of vapors and after a limit, all the vapor is condensed.
We can also conclude that ASPEN Plus is a smart and versatile tool that has really advanced features.
It can accurately simulate and predict the dew points and bubble points for the mixture of
components. The dew point and bubble point estimates are really close to the values of the equations.
The results also suggested that it can be used to determine the vapor and liquid mole fraction for the
mixture as well as pure components at different pressures and temperatures.
References:
Juma Haidari; Chemical Process Design and Simulation: Aspen Plus and Aspen HYSYS Applications;
Wiley & Sons, Inc; First Edition, 2019

Lab#4
Objective:
Simulation of chapter 4 of aspen plus chemical engineering application book.
Tool use:
Aspen Plus is used for simulation of given problem.

Theory:
The separation of acetone and water from industrial mixtures is a crucial process in numerous
applications, ranging from chemical manufacturing to environmental protection. This report
outlines the theoretical underpinnings and simulation of a separation process designed to
extract acetone from a 50.0 wt% acetone - 50.0 wt% water mixture. The process employs
Methyl Isobutyl Ketone (MIBK) as an extracting solvent, followed by flash separation and
distillation. The Aspen Plus simulation tool is utilized to model and analyze this integrated
separation process.
MIBK Extraction: The first step involves the use of MIBK to selectively extract acetone from
the feed mixture. MIBK is chosen for its immiscibility with water and its ability to dissolve
acetone. In a mixer, the feed mixture is thoroughly blended to enhance mass transfer, and then
it enters the extraction unit. Acetone partitions into the MIBK phase, forming two distinct liquid
phases: one predominantly aqueous and the other predominantly organic.
Flash Separation: The mixed stream from the MIBK extraction unit is directed to the flash
separation unit, a one-stage separation process often represented by feed surge drums or
settlers. Here, the immiscibility of MIBK and water results in the formation of two distinct
phases. The acetone-rich MIBK phase and the water-rich phase are separated, taking advantage
of their density differences. This step sets the stage for subsequent distillation to achieve high-
purity streams.
Distillation: Following flash separation, the acetone rich MIBK phase undergoes further
purification through distillation. This process involves a distillation column designed to
separate components based on their boiling points. The distillation column in Aspen Plus is
equipped with built-in models to simulate this separation. The acetone is distilled overhead,
while the bottom product is nearly pure water. By adjusting operating parameters, the
distillation column is optimized to achieve greater than 95 wt% purity for both acetone and
water in their respective product streams.

Problem Statement:
Procedure:

1. Open the Aspen Plus Software and add the components (Acetone, water, Methyl
isobutyl ketone).
2. Go to the Methods and select the NRTL method.
3. Go to the property set and add new ID.
4. Double-click on PS-1 and the RHOMX,MUMX, SIGMAMX, DMX properties.

5. Go to the Qualifier and select the liquid phase.

6. Click on the simulation and add mixer and their inlet and outlet streams.
7. Go to the streams and set the values of temperature and pressure, composition and
total flow.
8. Set the temperature and pressure at the outlet stream.
9. Click on streams results and analysis the results.

10. Now go the mainstream and add flash3 separator and connect the outlet stream of
mixer with inlet of separator. There are three outlet of flash separator one is
top(FL1Vap), bottom is (FL1H20) and the mid-stream is (MIBK).
11. From Block B2 set the temperature and pressure of flash separator .
12. Now add the mixer, the inlet stream of mixer is the bottom stream of flash3 separator
(FL1H20), the other stream is (MIBK2) and the outlet stream is TRYMIX2.

13.
Set the temperature and pressure, composition, and total flow rate of MIBK2 stream
of mixer.
14. At the outlet of mixer B3, (TRYMIX2) add flash3 separator and set the top, bottom,
and mid streams of separator.

15. Go to the Block B4 and set inlet temperature and pressure.

16. Now run the simulation and check the composition of water in FL1H2O and
FL2H2O.

17. As mentioned in the problem statement The overall goal of this problem is to separate
the feed stream into two streams that have greater than 95 wt% purity of water and
acetone, so for that we have to go Flow sheeting option. Add new ID DS-1. Go to
Design spec> DS-1>Input and select waterpro from variable and stream from
 category. And from reference select the Type, stream, sub-stream , Component.

18. Now go to specification and set name, target, and tolerance.

19. Go to vary ans set the Manipulated variable and manipulated variable limit (upper and lower)
also Reported label, line 1 and line 2.

20. Now run the simulation and analyze the result.

Results and discussion:
In this problem we have to achieved the separation of feed streams into two stream that has
95 % purity of water and acetone, so by simulation on aspen plus we have adjust upper and
lower limit (25 and 1200) the separation is 95% as shown in table 1 which was previously
90%. The mass fraction of acetone FL1H2O and FL2H2) is 0.07 and 0.074 and for MIBK is
0.0204 and 0.0203 these are the mass fraction before setting the upper and lower limit for
manipulated variable.
Table 1:

Conclusion:
The successful manipulation of the water production variable and the improvement in water
purity demonstrate the effectiveness of the designed separation process. The addition of the
mixer, flash separation unit, and distillation tower in the process line allowed for the efficient
separation of the acetone-water mixture into two streams with enhanced purity levels.
Overall, the simulation results suggest that the separation process is capable of producing
streams with greater than 95 wt% purity for both water and acetone. This successful outcome
is crucial for meeting the specified goal of separating the feed stream into two high-purity
streams, one enriched in acetone and the other in water. The designed process, as simulated in
Aspen Plus, proves to be a reliable and effective solution for the separation of acetone and
water using the specified units and variables.

Reference:
1. Bedica, B. (2012). FIRE HEATER ENGINEERING ECONOMICS & DESIGN.
https://www.researchgate.net/publication/257728119
2. CHEMICAL ENGINEERING VOLUME 2 FIFTH EDITION Particle Technology and
Separation Processes. (n.d.).
3. Valverde, J. L., Ferro, V. R., & Giroir-Fendler, A. (2023). Automation in the simulation
of processes with Aspen HYSYS: An academic approach. Computer Applications in
Engineering Education, 31(2), 376–388. https://doi.org/10.1002/cae.22589
Lab 4
Objective:
Simulation of chapter 4 of aspen plus chemical engineering application book.
Tool use:
Aspen Plus is used for simulation of given problem.

Theory:
The separation of acetone and water from industrial mixtures is a crucial process in numerous
applications, ranging from chemical manufacturing to environmental protection. This report
outlines the theoretical underpinnings and simulation of a separation process designed to
extract acetone from a 50.0 wt% acetone - 50.0 wt% water mixture. The process employs
Methyl Isobutyl Ketone (MIBK) as an extracting solvent, followed by flash separation and
distillation. The Aspen Plus simulation tool is utilized to model and analyze this integrated
separation process.
MIBK Extraction: The first step involves the use of MIBK to selectively extract acetone from
the feed mixture. MIBK is chosen for its immiscibility with water and its ability to dissolve
acetone. In a mixer, the feed mixture is thoroughly blended to enhance mass transfer, and
then it enters the extraction unit. Acetone partitions into the MIBK phase, forming two distinct
liquid phases: one predominantly aqueous and the other predominantly organic.
Flash Separation: The mixed stream from the MIBK extraction unit is directed to the flash
separation unit, a one-stage separation process often represented by feed surge drums or
settlers. Here, the immiscibility of MIBK and water results in the formation of two distinct
phases. The acetone-rich MIBK phase and the water-rich phase are separated, taking
advantage of their density differences. This step sets the stage for subsequent distillation to
achieve high-purity streams.
Distillation: Following flash separation, the acetone rich MIBK phase undergoes further
purification through distillation. This process involves a distillation column designed to
separate components based on their boiling points. The distillation column in Aspen Plus is
equipped with built-in models to simulate this separation. The acetone is distilled overhead,
while the bottom product is nearly pure water. By adjusting operating parameters, the
distillation column is optimized to achieve greater than 95 wt% purity for both acetone and
water in their respective product streams.

Problem Statement:
Procedure:
21. Open the Aspen Plus Software and add the components (Acetone, water, Methyl

isobutyl ketone).
22. Go to the Methods and select the NRTL method.

23. Go to the property set and add new ID.

24. Double-click on PS-1 and the RHOMX,MUMX, SIGMAMX, DMX properties.
25. Go to the Qualifier and select the liquid phase.
26. Click on the simulation and add mixer and their inlet and outlet streams.

27. Go to the streams and set the values of temperature and pressure, composition and
total flow.
28. Set the temperature and pressure at the outlet stream.

29. Click on streams results and analysis the results.

30. Now go the mainstream and add flash3 separator and connect the outlet stream of
mixer with inlet of separator. There are three outlet of flash separator one is
top(FL1Vap), bottom is (FL1H20) and the mid-stream is (MIBK).
31. From Block B2 set the temperature and pressure of flash separator .

32. Now add the mixer, the inlet stream of mixer is the bottom stream of flash3
separator (FL1H20), the other stream is (MIBK2) and the outlet stream is TRYMIX2.

33. Set the temperature and pressure, composition, and total flow rate of MIBK2 stream
of mixer.
34. At the outlet of mixer B3, (TRYMIX2) add flash3 separator and set the top, bottom,
and mid streams of separator.

35. Go to the Block B4 and set inlet temperature and pressure.

36. Now run the simulation and check the composition of water in FL1H2O and FL2H2O.
37. As mentioned in the problem statement The overall goal of this problem is to
separate the feed stream into two streams that have greater than 95 wt% purity of
water and acetone, so for that we have to go Flow sheeting option. Add new ID DS-1.
Go to Design spec> DS-1>Input and select waterpro from variable and stream from
category. And from reference select the Type, stream, sub-stream , Component.

38. Now go to specification and set name, target, and tolerance.

39. Go to vary ans set the Manipulated variable and manipulated variable limit (upper and
lower) also Reported label, line 1 and line 2.

40. Now run the simulation and analyze the result.

Results and discussion:
In this problem we have to achieved the separation of feed streams into two stream that has
95 % purity of water and acetone, so by simulation on aspen plus we have adjust upper and
lower limit (25 and 1200) the separation is 95% as shown in table 1 which was previously
90%. The mass fraction of acetone FL1H2O and FL2H2) is 0.07 and 0.074 and for MIBK is
0.0204 and 0.0203 these are the mass fraction before setting the upper and lower limit for
manipulated variable.
Table 1:

Conclusion:
The successful manipulation of the water production variable and the improvement in water
purity demonstrate the effectiveness of the designed separation process. The addition of the
mixer, flash separation unit, and distillation tower in the process line allowed for the efficient
separation of the acetone-water mixture into two streams with enhanced purity levels.
Overall, the simulation results suggest that the separation process is capable of producing
streams with greater than 95 wt% purity for both water and acetone. This successful outcome
is crucial for meeting the specified goal of separating the feed stream into two high-purity
streams, one enriched in acetone and the other in water. The designed process, as simulated
in Aspen Plus, proves to be a reliable and effective solution for the separation of acetone and
water using the specified units and variables.

Reference:
4. Bedica, B. (2012). FIRE HEATER ENGINEERING ECONOMICS & DESIGN.
https://www.researchgate.net/publication/257728119
5. CHEMICAL ENGINEERING VOLUME 2 FIFTH EDITION Particle Technology and
Separation Processes. (n.d.).
 6. Valverde, J. L., Ferro, V. R., & Giroir-Fendler, A. (2023). Automation in the simulation of
processes with Aspen HYSYS: An academic approach. Computer Applications in
Engineering Education, 31(2), 376–388. https://doi.org/10.1002/cae.22589

Lab Number 6
Objective:
To simulate reactor on Aspen HYSYS and Aspen Plus.
Tools Used:
Aspen HYSYS and Aspen Plus.
Theory:
A reactor is a crucial component in chemical processes where raw materials are transformed
into desired products through chemical reactions. Reactors play a central role in various
industries such as petrochemicals, pharmaceuticals, food processing, and more. The design
and operation of reactors are guided by principles that form the foundation of reactor theory.
Stoichiometry Models: RStoic (Aspen Plus) and Conversion Reactor (Aspen HYSYS)
RStoic and Conversion Reactor: Purpose
Used when reaction stoichiometry and conversion are known, but reaction kinetics are
unknown or unimportant.
Can model reactions occurring simultaneously or sequentially.
Calculates the heat of reaction based on material and energy balance equations (Equations
5.1–5.4).
Connection Requirements
RStoic: At least one input material stream and one output material stream.
Conversion Reactor: At least one input material stream and two output material streams. For
nonadiabatic reactors, connection of an energy stream is mandatory.
RStoic Specifics
Defines reaction stoichiometry directly inside the unit operation model.
Enables the definition of multiple input material streams, any number of input/output energy
streams, and one optional free water output stream.
Conversion Reactor in Aspen HYSYS
Reactions must be defined in the Properties environment, grouped, and added to the fluid
package.
Inside the unit operation model, the defined reaction set is added to the reactor model.
RYield (Aspen Plus) and Yield Shift Reactor (Aspen HYSYS)
Used when no information on reactions and stoichiometry is available, but the amount of
components produced per unit mass or mole of reactor feed is known.
RYield Options
Component yields: Specify or calculate yields in a user-supplied Fortran subroutine. Yields
normalized to maintain a mass balance.
Component mapping: Specify components produced per unit mass of total feed or unit mass
of total feed.
Task 1:

Procedure:
1. Open the aspen plus create the new files and add the components.
2. Go to the methods and select the NRTL-RK method.

3. Go to the simulation and add RStio reactor because the when reaction stoichiometry
and conversion are known, but reaction kinetics are unknown.

4. Double click on S1 inlet streams go to the input and set the temperature, pressure ans
total flow and composition.
5. Go to stream S2 and set the total flow rate of water 12000kmol/hr and set the other
parameters.
6. To set the temperature and pressure of reactor go to the block B1 and set the
parameters, valid phase is liquid.

7. Go to the reaction page and set the reaction which are given in question.

8. Click on next and go to the results streams and check the mass fractions of streams.
9. To check the heat of reaction, go to the block< setup and set the reference components
there temperature and pressure.

10. Go to the results and check the heat of reaction that is -ive because of exothermic
reaction.
Aspen HYSYS:
11. To Simulate the same problem on Aspen HYSYS, open the software and add the
component in sheet.

12. Go to the fluid package ad select the NRTL method.

13. Go to the reaction add Rxn1 and Rxn2 double click on reaction 1 and add the
components of reaction and set conversion 95%, do the same with reaction 2 with
conversion 5%.
14. Add the above reaction into the fluid package.

15. Go to the simulation and add the reactors and there streams.
16. Go to the worksheet and set the given parameters.

17. Go to the composition and set the molar composition of water and C2Oxide.

18. Go to the reaction page and set the conversion.

 19. Go to the main flow sheet right click on reactor and add the table.

20. Now double click on table and click on add variable and add heat of reaction.

Task 2:

Normal butane (A) is to be isomerized to isobutane (B) in a plug-flow reactor.

𝑛 − 𝐶4 𝐻10 (𝐴) ↔ 𝑖 − 𝐶4 𝐻10 (𝐵)

Rate expression: 𝑟 = 𝑘 𝐶 − 𝑘 𝐶 ; 𝐶 and 𝐶 are in molarity (M)

Procedure:
1. Open the aspen plus and add the components.

2. Select the Peng Robinson method from fluid package.

3. Go to the simulation < reaction and add new ID R-1 and select type: power law

4. Go to the reaction stichometry and add reaction 1 and reaction 2.

5. Go to the reaction kinetics and set the value of k, n, E and reaction phase is liquid.

6. From drop down link change the reaction and set the values for second reaction.

7. Go to the simulation and add plug flow reactor.

8. Double click on the reactor and select the type of reactor adiabatic.

9. Go to the configuration page and set the length and diameter and phase.

10. Go to the reaction page and add the reaction.

 11. Double click on the inlet streams of reactor and set the temperature, pressure, total
flow rate and mole fraction.

12. The simulation is complete go to the streams results and analyze the results.

Results and Discussion:

In the first task we have determine the composition of mass fraction of components and heat
duty and heat of reaction. Which are mention in Table 1,2,3 .
Table 1:
Table 2:

Table 3:

In task two we simulated the plug flow reactor and determined the mole flows and mole
fraction of outlet streams which is shown in table 4.
Table 4:
Conclusion:
In the Aspen Plus and Aspen HYSYS simulation conducted for the chemical process
involving N-BUT-01 and ISO-8-01, key findings emerged from the mole flows and mole
fractions analysis. The simulation indicated a steady flow of 20 kmol/hr for N-BUT-01 and
18 kmol/hr for ISO-8-01. Notably, the mole fraction of N-BUT-01 was calculated at
0.516301, whereas ISO-8-01 exhibited a mole fraction of 0.483699. The resulting total
production of 967398 kmol/hr reflects a robust and efficient process. The material balance
appears well-maintained, with the summation of mole flows aligning with the total
production output. To further enhance the process, it is recommended to explore optimization
opportunities, considering operational parameters like temperature, pressure, and reaction
kinetics. Additionally, a thorough safety assessment is crucial, ensuring the simulation
adequately accounts for and mitigates potential hazards associated with the components
involved. Furthermore, for a comprehensive evaluation, a comparison with experimental data
would validate the accuracy of the Aspen Plus model. Conducting sensitivity analyses to
assess the impact of parameter variations and exploring economic feasibility will contribute
to a more comprehensive understanding of the simulated chemical process.
References:
7. Bedica, B. (2012). FIRE HEATER ENGINEERING ECONOMICS & DESIGN.
https://www.researchgate.net/publication/257728119
8. CHEMICAL ENGINEERING VOLUME 2 FIFTH EDITION Particle Technology and
Separation Processes. (n.d.).
9. Valverde, J. L., Ferro, V. R., & Giroir-Fendler, A. (2023). Automation in the
simulation of processes with Aspen HYSYS: An academic approach. Computer
Applications in Engineering Education, 31(2), 376–388.
https://doi.org/10.1002/cae.22589
LAB NUMBER 07
Objective:
The objective of this lab is to simulate continuous stirred tank reactor using aspen.

Theory
The Continuous Stirred Tank Reactor (CSTR) is a specific type of chemical reactor utilized in
continuous industrial operations. By operating with a constant flow of reactants and products,
this reactor ensures that the composition remains uniform through continuous stirring[^1^].
CSTRs are exclusively designed for steady-state operations, enabling accurate control over
reaction conditions. Consequently, they are widely used in numerous chemical processes,
including biochemical reactions and polymerization, where continuous production proves
advantageous. In the design and operation of CSTRs, significant considerations include
reaction kinetics, thermodynamics, and desired production rates.

Fig 7.1: Schematic of a Continuous Stirred Tank Reactor

Modeling of CSTR in Aspen PLUS

Defining Components
Define the chemical components involved in the reaction and elucidate pertinent properties,
such as molecular weight, critical properties, and thermodynamic data.
Method Selection
Select the suitable fluid package from the available option of Aspen Plus such as Peng-
Robinson or NRTL.
Installation of Unit Operations
Integrate a CSTR unit operation into the Aspen HYSYS flowsheet and precisely define the
input and output of reactants and products.
Specify Operating Conditions
Establish the operating conditions for the CSTR by determining the temperature, pressure, and
initial concentrations. Additionally, indicate any other relevant parameters pertaining to the
reactor.
Reaction Kinetics
Provide the chemical reactions happening in the CSTR, along with detailed explanations of
reaction kinetics, including rate equations and reaction parameters.
Running Simulation
Run the Aspen HYSYS simulation to acquire dynamic data concerning the CSTR. Assess
outcomes such as conversion rates, concentration profiles, and temperature distribution.
Analyzing and Optimizing
Utilize simulation results to gain insights into the behavior of the CSTR. Assess important
performance measures such as conversion, yield, and selectivity. Employ Aspen HYSYS
optimization tools to improve the performance of the CSTR. Investigate different operating
conditions to achieve desired outcomes, such as maximizing conversion or minimizing costs.

Example 5.3

Statement
Consider the ethyl acetate process. Ethanol reacts with acetic acid in the liquid phase to form
ethyl acetate and water through the reaction:
CH3COOH + CH3CH2OH → CH3COOC2H5 + H2O
Model a CSTR reactor if the temperature in the reactor is 50 oC, and pressure is 101 kPa. Both
ethanol and acetic acid streams each have the molar flow of 50 kmol⋅h−1, temperature of 20 oC,
and pressure of 110 kPa. The volume of the reactor is 3m3. Calculate
a. composition of the product stream if the rate of the reaction is given by.
b. finds the dependence of ethanol conversion on the reactor volume in the reactor volume
range from 0.5 to 6 m3.

Performing it in ASPEN (PLUS)

First, open the Aspen Plus software and click on the new file.
After that a new window will open in which select the blank simulation file and click on a
create at the bottom as shown below.

A new window of properties will open in the first components will be selected. Click on the
find to search for the components.
Add all the desired components by searching for them in the window displayed downward.

All the components are added in the components section as shown below.

Click on the “Methods” and select NRTL from that and then go to “Method Name” and from
drop down select “NRTL-HOC”.
Then click on the “simulation” at the bottom of the window. After that select the mixer from
the bottom and draw it on the sheet.

After that click on the CSTR from the available option of reactors and draw it on flowsheet.

Click on the material stream to add the inlet and outlet streams of the mixer and reactor and
connect the outlet of mixer with the inlet of reactor by right click on stream and select the
reconnect option.
Double click on the inlet streams of the mixer and specify the conditions as shown below.

Then double click on CSTR icon and specify the conditions inside the reactor.
In the same window, click on the reactions from ribbon and select the R-1 from the “available
reaction sets” to “selected reaction sets” by clicking on “>” icon.

Then click on reactions from the left panel of the window and after clicking on “New”, add
the “R-1” set.
Double click on the ‘R-1” and it will take to the new window, in which specify the forward
and backward reaction and also the stoichiometry of the reactions.

In the same window, go to “Kinetics” and give the values of kinetic factors for both the
reactions by selecting them from the drop down.
Click on the “Run” at the top of the window.

Click on the “Results” from the left panel of the window and analyze the mole flows and
fractions.
Click on “Sensitivity” from “Model Analysis Tools” and after clicking on “New” add the “S-
1” set.

Then double click on “S-1” and a new window will open where specify the variables and it’s
unit.

In the same window, click on “Define” and add sample variable i-e NEF, NEP, CON
After that click on the “Fortan” in ribbon and write the conversion formula.

Then go to “Tabulate” and specify the CON there.

Click on the “Run” at the top of the window.

Click on the “Results” of Sensitivity from the left panel of the window and analyze the results.

To plot the graph, go to the custom set the x, y axis and click on OK.
After clicking OK, the plot will be displayed on the screen.

Simulation Model

Fig 7.2: Simulation Model of a Continuous Stirred Tank Reactor

Result & Discussion

Table 7.1
 Fig 7.3

Table 7.1 displays the transformation process whereby a feed mixture, consisting of equal
amounts of Ethanol and Acetic acid, undergoes a conversion process to produce a stream of
products. Notably, the resulting product stream includes 17.0841 kmol/hr of both Ethanol and
Acetic acid, along with 32.9159 kmol/hr of Ethyl acetate, without any presence of water. The
mole fractions within the product stream indicate a modified composition, indicating a
significant conversion of the feed components. To ensure the overall integrity of the process,
conducting further investigations, including a mass balance check, is recommended. The
success of this process is dependent on specific objectives, such as maximizing Ethyl acetate
production, and conducting a comprehensive evaluation necessitates additional contextual
information.
In Fig 7.3, the graph demonstrates the conversion in a CSTR reactor by varying the volume
from 500 to 6100 L.

Conclusion:
It’s concluded that the findings from the Aspen Plus simulation showcase the successful
transformation of a feed mixture comprising equal amounts of Ethanol and Acetic acid into a
product stream. This resulting stream consists of 17.0841 kmol/hr of both Ethanol and Acetic
acid, accompanied by 32.9159 kmol/hr of Ethyl acetate, with the noteworthy absence of water.
The mole fractions calculated in the product stream highlight a significant alteration in
composition, indicating the efficacy of the simulated process. The absence of water in the
product stream suggests potential elimination or utilization of water during the process.
Nonetheless, it is vital to perform a mass balance check to verify the conservation of total moles
and ensure the overall system's integrity. The success of the process relies on the specific
objectives outlined in the Aspen Plus simulation, including the maximization of Ethyl acetate
production. These results lay the groundwork for further optimization or adjustments in
accordance with the desired outcomes.

References
J. Haydary, Chemical Process Design and Aspen Plus and Aspen HYSYS Applications.
2019.S. I. Sandler, Using Aspen Plus ®. .
LAB NO 8:
Objective:
The objective of this lab is to simulate the catalytic reaction in a plug flow reactor using aspen.

Theory
Simulation is a computer or physical model-based simulation of a real-world process, situation,
or system.
In a plug flow reactor, catalytic reactions occur by passing reactants through a tubular system
equipped with a catalyst. The catalyst plays a pivotal role in promoting the reaction along the
reactor's length by reducing the activation energy. The gradual alteration in reactant
concentration directly impacts the reaction rates. Catalysts greatly enhance efficiency,
selectivity, and conversion capabilities. It is of utmost importance to optimize the reactor
design, taking into account essential factors such as residence time, temperature, and pressure,
in order to achieve the desired outcomes. Mathematical models prove instrumental in
accurately predicting the behavior of the reactor.

Fig 8.1: Schematic of a Plug Flow Reactor

Modeling of PFR in Aspen HYSYS

Defining Components
Define the chemical components involved in the reaction and elucidate pertinent properties,
such as molecular weight, critical properties, and thermodynamic data.

Fluid Package Selection

Select the suitable fluid package from the available option of Aspen HYSYS such as Peng-
Robinson or NRTL.
Reaction Kinetics
Provide the chemical reactions happening in the PFR, along with detailed explanations of
reaction kinetics, including rate equations and reaction parameters.
Installation of Unit Operations
Integrate a PFR unit operation into the Aspen HYSYS flowsheet and precisely define the input
and output of reactants and products.
Specify Operating Conditions
Establish the operating conditions for the PFR by determining the temperature, pressure, and
initial concentrations. Additionally, indicate any other relevant parameters pertaining to the
reactor.
Running Simulation
Run the Aspen HYSYS simulation to acquire dynamic data concerning the PFR. Assess
outcomes such as conversion rates, concentration profiles, and temperature distribution.
Analyzing and Optimizing
Utilize simulation results to gain insights into the behavior of the PFR. Assess important
performance measures such as conversion, yield, and selectivity. Employ Aspen HYSYS
optimization tools to improve the performance of the PFR. Investigate different operating
conditions to achieve desired outcomes, such as maximizing conversion or minimizing costs.

Example

Statement

Performing it in ASPEN (HYSYS)

First, start aspen hysys and open a new document for simulation.
Then select the ingredients for the reaction. Click “Add” at the bottom of the worksheet to add
a new one.

Add all the components required for the simulation of the reaction as shown down.

The click on the flid packages and select the Peng-Robinson method for the simulation.
After that click on the reactions option available on the left side panel of the window and
click on the add option which can be seen on the bottom of the window.

A new window will open which is basically the reaction set. Click on the add reactions to add
all the reactions going on in the above problem.
A pop window will display in which select the homogeneous catalytic and kinetic reactions
one by one and click on the add reactions. (NOTE: add catalytic reaction twice because there
are two catalytic reactions taking place in the given problem.)
After adding all three reactions, windows will look like below.

Double click on the reaction 1 and add all the components and conditions encircled below.
Then double click on reaction 2 and 3 one by one and add all the components for the reaction
and select the basis. Also give values for A bad B shown as following.
After that see the configuration column and tick mark in that column will show us that the
reactions are configured. Then click on the Add to FP option.

A new pop up window will open and after selecting the Basis option, click on the Add Set to
Fluid package.
Click on the simulation available at the bottom left of the window.

In the reactors option of Model Palette, select the Plug Flow Reactor and paste it on the
flowsheet.
Double click on the reactor and a new window will open, in which specify the feed and
product stream.

Then go to the reactions in ribbon of the same window and select the reaction set.
Click on the rating and give the values as indicated below.

Then again go to reactions and specify the following values.

Go to parameters option in Design and select the Ergun equation of Pressure drop parameters.

After that click on the worksheet on the ribbon and specify the reaction conditions as shown
below,
Click on the composition on the left panel and specify the composition of the feed stream.

Go to he Case studies from the left panel of simulation window and click on add.
A new window will open and click on the find variables in independent variables section

By clicking on find variables a new window of variable navigator will open, in which select
the reactor “PFR-100” in objects and tube length in variables section. Then click on the
forward arrow and click on done.
After that click on the find variables in dependent variables section.

By clicking on find variables a new window of variable navigator will open, in which select
the reactor “PFR-100” in objects and Act.%Cnv._1 in variables section. Then click on the
forward arrow and click on done.

After that click on the Case Study Setup and specify the start and end values with step size
and at the end click on the Run.
Then go to Results and check the table for the graph.

Click on Plots to analyze the graph.

Simulation Model
 Fig 8.1: Simulation Model of a Plug Flow Reactor

Result & Discussion

In this lab simulation, Aspen HYSYS was used to model a plug flow reactor (PFR) with an
additional input stream. The primary purpose of the outlet stream from the PFR was to remove
the product. The input stream consisted of benzene, toluene, water, H2, ethyl benzene, methane,
styrene, and ethylene. Aspen HYSYS was utilized to observe the behavior of the resulting
streams. The introduction of the feed, comprising the specified components, took place at a
temperature of 630 oC and a pressure of 137.8 kPa. Three reactions were applied to the feed
streams, including two kinetic reactions and one heterogeneous catalytic reaction. To conduct
the simulation, both independent and dependent variables were defined and established
compositions for the essential components. By utilizing the Peng-Robinson equation, calculate
the various parameters and solve for the reactor.

Conclusion:
It’s concluded that the conducted simulation exercise has played a crucial role in understanding
the intricate behavior of the plug flow reactor, especially when dealing with multiple reactions
and diverse feed compositions. The acquired knowledge from this research significantly
contributes to the overall understanding of catalytic reaction engineering, reactor design, and
the enhancement of industrial processes. By effectively utilizing Aspen HYSYS and the Peng-
Robinson equation, the simulation successfully simulated complex chemical reactions,
establishing itself as a valuable tool for further exploring and optimizing catalytic systems in
the chemical engineering field.

References
[1] J. Haydary, Chemical Process Design and Aspen Plus and Aspen HYSYS Applications.
2019.
[2] Automation in the simulation of processes with ASPEN HYSYS: An academic ...
Available at: https://onlinelibrary.wiley.com/doi/abs/10.1002/cae.22589
LAB NUMBER 9
Objective:
The target of the lab is to reproduce siphon, water powered turbine, and line and fittings in
aspen.
Theory A mechanical pump is a common name for an industrial pump. A mechanical siphon is
a gadget that uses mechanical parts like impellers, cylinders, stomachs, or pinion wheels to
move liquids, which can be either fluids or gases. Different sorts of mechanical siphons exist,
each planned with explicit designs and purposes. These incorporate radial siphons, responding
siphons, rotational vane siphons, stomach siphons, and stuff siphons. In various ventures, these
siphons play an essential part as they empower the exchange of liquids for cycles like
assembling, water treatment, and substance handling. The type of fluid, desired flow rate,
required pressure, and intended application are all important considerations when selecting a
suitable pump. Condition for siphon is given as
∆p=Hρg
P_W=HρgQ
∆p: Pressure change P_W: Power given to the liquid.
Net Positive Pull Head (NPSH)
The NPSH gives a proportion of tension limit expected to forestall siphon cavitation at its pull
side. When the pump's suction pressure falls below a certain threshold, the phenomenon known
as cavitation occurs, and the fluid boils. Condition utilized for ascertaining NPSH is given
beneath.
NPSH=(〖fQ〗^0.5/n_ss )^(3/4)
f : Recurrence Q: Volumetric progression of the fluid n_ss: Specific speed of suction.
What is Blower?
A blower is a mechanical gadget that increments gas tension by decreasing its volume. It holds
monstrous importance in various enterprises, enveloping assembling, refrigeration, cooling,
and power age. There are various sorts of blowers, for example, responding, diffusive, pivotal,
and scroll blowers, each working on particular standards. Compressors are used to compress
air or other gases and have a wide range of uses, including providing tools with compressed air
and playing an important role in systems for cooling, heating, and power generation. The
determination of a reasonable blower pivots upon factors like the gas type, required pressure
proportions, and explicit application necessities. The head created by blower is determined as
follows.
H_com=∫_(p_1)^(p_2)▒Vdp
What are Lines and Fittings?
Lines and fittings assume a urgent part in plumbing and channeling frameworks. With regards
to reenactment, "lines and fittings" for the most part alludes to the demonstrating and
examination of liquid stream inside a channeling framework. Reenactment instruments
empower the expectation and appreciation of liquid way of behaving, tensions, and
temperatures as they explore through lines and experience various fittings. Pressure misfortune
in pipes happens when the strain diminishes as liquid courses through the channeling
framework. This decrease in pressure is essentially brought about by different elements like
contact and obstruction inside the lines. The progressions in stream speed, course, or cross-
sectional region, as well as the contact between the streaming substance and the line wall, are
significant supporters of the tension misfortune peculiarity. Pressure drop in the line is
determined by utilizing he condition.
Valves:
Valves assume a crucial part in managing liquid stream across different businesses. They
incorporate various sorts, including entryway valves guaranteeing on/off control, ball valves
working with quick opening/shutting, and butterfly valves empowering exact stream control,
among others. The utilization of valves traverses far reaching areas, for example, water and
sewage frameworks, oil and gas pipelines, power plants, and synthetic handling. The
application's nature, fluid characteristics, and desired level of control are all important
considerations when choosing a valve.

Task 1 (Example 4.1)

Statement
Performing it in ASPEN (PLUS)
First start the aspen plus and open the new sheet for the simulation.

Then select the “Blank Simulation” and click on the create.

Ater that a new window will open where components will be selected. Click on the find to
search for the desired components.

Search for the component and click on the “find now” to look for the searched component.
Go to the methods and select “PENG-ROB” in the base method.

Then click on the “simulation” at the bottom of the window. After that select the mixer from
the bottom and draw it on the sheet.

Click on the material stream to add the inlet and outlet streams of the pump.

Double click on the stream to enter the conditions of the stream (temperature, pressure, mass
flow, and composition).
Part a:
NOTE: In this part only inlet conditions are given along with discharge pressure and pump
efficiency to calculate electricity requirement.
After that double click on pump and specify the discharge pressure and efficiency.

Finally click on the “Run” which is at the top of the window.

Click on the “Results” from the left panel of the window and analyze the electricity
requirement.
Part b:
NOTE: In this part characteristic curve data and same efficiency along with inlet conditions is
given to calculate discharge pressure, head developed, and NPSH available.
Double click on the pump and select the option encircled below.

Then go to performance curves from the left panel of window and give the values of head and
flow and their units as given in problem.
Finally click on the “Run” which is at the top of the window.

Click on the “Results” from the left panel of the window and analyze the pressure change,
NPSH available, and head developed.
Simulation Model

Fig 9.1: Simulation of a Pump

Task 2 (Example 4.2)

Statement

Performing it in ASPEN (HYSYS)

First, start aspen hysys and open a new document for simulation.

Then select the ingredients you want to mix (in this case, water, and ethanol). Click “Add” at
the bottom of the worksheet to add a new one.
Then search for items one by one and click "Add" to add them.

Click "Fluid Package" in the left panel. Click on the "Add" button again and select the required
package from the available options, "Peng-Robinson" was selected for the above question and
complete the remaining items.

Then click "Simulate" in the left bottom corner of the screen. A new window will open
containing a dialog box called "Model Palette".
Go to the “Pressure Changer” in Model palette. Select the compressor and drag it to the viewing
area.

Then double click on the compressor and a new window will open for the compressor and name
the inlet streams, the output stream and energy as E1.
Go to the parameter in same window and input all of the specifics from the given data. Also
define Polytropic Efficiency as 76%.
Then click on “Worksheet” at the top of the newly opened window and specify the properties
of the input streams, such as temperature, pressure, and flow rate (molar or mass).

After that click on the "Composition" option on the left side of the same window. Add the
composition of both streams; The simulation will be completed as indicated by the green line
at the bottom of the screen.

After entering the composition problem will be simulated and go to performance to check
polytropic fluid head.
In the same window, go to the power and check the power required for the compressor.

Then go to worksheet and in conditions, outlet temperature of compressor can be observed.

Simulation Model
 Fig 9.2: Simulation of a Compressor

Task 3 (Example 4.3)

Statement

Performing it in ASPEN (HYSYS)

First, start aspen hysys and open a new document for simulation.
Then select the ingredients you want to mix (in this case, water, and ethanol). Click “Add” at
the bottom of the worksheet to add a new one.

Then search for items one by one and click "Add" to add them. (NOTE: in this case component
is only water)

Click "Fluid Package" in the left panel. Click on the "Add" button again and select the required
package from the available options, "Antoine" was selected for the above question and
complete the remaining items.
Then click "Simulate" in the left bottom corner of the screen. A new window will open
containing a dialog box called "Model Palette".

Search for the pipe in the search box of model palette. Select the pipe and drag it to the viewing
area.
After that right click on the pipe icon and go to the “change icon” option and change the icon
for the convenience and click ok.

Double click on the pipe and enter the names of all streams as shown below.
Then click on “Worksheet” at the top of the newly opened window and specify the properties
of the input streams, such as temperature, pressure, and flow rate (mass).

After that click on the "Composition" option on the left side of the same window. Add the
composition of inlet stream.
After entering the composition, go to the “Ratings” and in that give the value of Ambient
temperature and overall heat transfer coefficient.

In the same window, go to “Sizing” and click on “Add segment”.

After clicking on “add segment”, a table will be displayed on screen, in which specify the first
valve, its inner diameter, and material as shown down.

In the same manner, click on “add segment” again and specify the parameters for the second
segment. Repeat this procedure for all the given segments and the table will be as shown below.
To check the outlet temperature and pressure, go to the worksheet and see for them in the
conditions.

Go to design and click on the parameters to look for the pressure drop as “Delta P”.
In the ribbon, go to “Performance” and click on “view profile”.

After clicking on “view performance”, a new window will open which will display the table
from which graphs will be drawn.
In the same window, click on the plot to view the graph and for temperature select the
temperature from the listed options and do the same for pressure.
Simulation Model

Fig 9.2: Simulation of a Pipe System

Results and Discussion:

In task 1, there is a pressure drop of six bars between the input and output for part a. The
required power to operate is 7.946 kW, and as we move on to part b, the required power rises
to 8.25 kW while the developed desired head slightly rises to 53m. Furthermore, the NPSH
esteem remains at 10.02m. These varieties can be ascribed to the accessibility of advantageous
information for calculation, explicitly the siphon execution bend information.
In task 2, the gas temperature at the exit of the blower is estimated to be 62.74°C, demonstrating
a temperature climb from 25 to 62.74°C, which is credited to the retention of energy and change
in tension during the cycle. Outstandingly, the polytropic liquid head remains at 54.15 kJ/kg,
while the power necessity is determined to be 642.6 kW. The critical divergence in these
qualities can be straightforwardly ascribed to the significant ten times ascend in pressure.
In task 3, by examining the strain misfortune in the line, it very well may be seen from the
diagram that there is a huge diminishing in pressure at whatever point the line goes through a
valve or a circle water meter. Outstandingly, the shift in stream course no affects the strain
misfortune. Similarly, the tension drop brought about by the half-open entryway valve is less
huge than that of the plate water meter, which records the most noteworthy strain misfortune
at 8 kPa, as well as the globe valve. Besides, after looking at the temperature bend, it is clear
that there is a predictable and progressive downfall. Accordingly, it tends to be deduced that
the temperature is fundamentally impacted by the length of the line as opposed to the particular
parts set up. It is important to note that the water stream, which is 5 degrees Celsius hotter, is
cooled by the ambient air.
Conclusion:
It's presumed that for the principal task varieties are seen in tension and power prerequisites
between parts an and b, with an expansion in power interest and wanted head to a limited extent
b. These progressions are credited to the accessibility of extra siphon execution bend
information.
The subsequent undertaking uncovers an outstanding temperature increment from 25 to
62.74°C at the blower exit because of energy ingestion and strain modifications. A significant
tenfold rise in pressure is directly connected to the significant disparity in polytropic fluid head
and power requirements.
For the third undertaking examination of strain misfortune in the line shows a significant
diminishing while going through valves or a plate water meter, with stream bearing changes
having no effect. The strain drop brought about by the half-open door valve is less huge than
that of the circle water meter and the globe valve. Inspecting the temperature bend proposes
that temperature is fundamentally impacted by pipe length instead of explicit parts. The water
stream that is 5 degrees Celsius hotter is cooled by ambient air.
References
[1] J. Haydary, Compound Cycle Plan and Aspen In addition to and Aspen HYSYS
Applications. 2019.
[2] Various kinds of siphons (2022) HAOSH Siphon. Accessible at:
https://www.haoshpump.com/different-sorts of-siphons/
[3] Figuring out blowers (no date) Thomasnet® - Item Obtaining and Provider Disclosure Stage
- Track down North American Makers, Providers and Modern Organizations. Accessible at:
https://www.thomasnet.com/articles/hardware devices supplies/figuring out blowers/
[4] Valve (2023) Encyclopædia Britannica. Accessible at:
https://www.britannica.com/technology/valve-mechanics
Lab Number 10
Objective:
The objective of the lab is to Simulation of Separator by using Aspen Plus and Aspen HYSYS.

Theory:
The majority of equipment in a chemical factory are used for separation. In a general case, a
heterogeneous mixture from the reactor is first subjected to the separation of solid phase
using equipment such as cyclones, centrifuges, filters, and so on. Then, the obtained
homogeneous mixture is subjected to further separation operations to provide the required
products. As shown in Figure 6.1, different methods can be applied to separate a
homogeneous mixture; the most often used one is the separation by creation or addition of a
new phase. Distillation, absorption, extraction, extractive and azeotropic distillation,
desorption, crystallization, drying, sublimation, and evaporation belong to this group of
separation processes.
Common features of separation methods listed above are,

• existence of more phases, that is, thermodynamic phase equilibrium.

• mass transfer between the phases, and
• single contact or multiple contact of phases.
Two basic approaches to the description of mass transfer are used:
a) Rate equation of mass transfer 1: Fick’s law using partial and overall mass transfer
coefficients.
b) Concept of theoretical (equilibrium) stages: Resistance against mass transfer between
the phases is neglected; the rate of mass transfer between the phases is determined
by the rate of component entering the stage. This approach considers theoretical
mixing concept for a stage.
Aspen Plus enables the use of both approaches in its major separation unit operation models.
Aspen HYSYS models are based on the equilibrium stage conception. In this book,
predominantly the equilibrium stage concept is applied. Rate-based modeling is discussed in
simulation of reactive absorption of systems with electrolytes (Chapter 15). Both single
contact and multiple contact separation models applying the creation or addition of a new
phase are implemented in both Aspen Plus and Aspen HYSYS.
Task 1:
Example 6.1 100 kmol⋅h−1 of a mixture containing 10, 20, 30, and 40 mol% of propane, n-
butane, n-pentane, and n-hexane, respectively, is preheated before entering a distillation
tower. The liquid mole fraction of the mixture is thus 80%. Calculate the composition of both
liquid and vapor phases and the temperature of the vapor–liquid mixture at 700 kPa. Initial
temperature of the mixture is 25 ◦C, and the pressure drop can be neglected.

Procedure:
1. Open the Aspen HYSYS and create the new file, after that add the components as

listed in problem.
2. Go to the fluid package and select the thermodynamic suitable thermodynamic
property for above task.

3. Go to simulation and add the heater and separator and define their inlet and outlet
streams of both equipment by double click on them one by one.
4. Double click on heater and go the worksheet section enter the vapor composition of
stream and temperature , pressure, and molar flow of streams 1.

5. Go to the composition and set the mole composition of each one.

 6. Now close the heater section and double click on the separator, go the worksheet
section and set the vapor and pressure for separator.

7. Now the simulation has been completed note the composition of both liquid and
vapor phases and the temperature of the vapor–liquid mixture.

Task 2:
Example 6.2 Gaseous reactor effluent contains in kmol⋅h−1: styrene (175), ethylbenzene
(70), toluene (55), water (245), methanol (55) and hydrogen (175), in total 775 kmol⋅h−1.
Using Aspen Plus, compute the equilibrium composition and amount of all phases at 35 ◦C
and 300 kPa.

Procedure:
8. Open the Aspen Plus and create a new case and add the components.
9. To select hydrogen as a Henry component (because hydrogen is gas) , choose Henry
Comp from the main toolbar; create a new Henry component set, and add hydrogen
from the list of Available Components to the Selected Components.

10. Select the method UNIQUAC method (property model).

11. Go to the simulation section and add the Flash 3 separator and set inlet and outlet
streams.

12. Now double click on stream S1 and set the temperature , pressure, mole flow .

13. Go to the block B1 and set the temperature and pressure of separator.

14. The simulation has been completed go the results streams and analyze the results.
Task 3:
Suppose a stream has flow rate 50khmol/hr having components are benzene and toluene
having mole fraction 0.3 and 0.7. respectively. Now use component separator to find the
molar flow rate in separated top and bottom product with top product has 0.99 benzene and
0.01 toluene.

Procedure:
15. Open the Aspen plus and add the components toluene and benzene.

16. Go to the methods and select NRTL method.

17. Go to the simulation and add the component separator and their inlet and outlet
streams.
18. Double click on the S1 streams and set the temperature , pressure and mole flow and
total flow rate.

19. Go to the block B3 and set the conversion of components.

20. Now the simulation is completed run the simulation and check the streams results.
Task 4:

Procedure:

21. Open the aspen plus, create a new case and add the components.

22. Now select the NRTL method.

23. Now go to the simulation and add the separators as shown in below fig 1.

24. Now click on S1 and set the temperature and pressure and mole flow of inlet stream
of Flash-D.

25. Now double click on Flash-D and set temperature and pressure.
26. Now double click on the absorber go to the block of absorber< specifications and set
the splitting fraction of each component of stream S4.

27. Similarly, double click on Flash and set the splitting fraction of each component of
stream S7 .

28. Repeat the same sets for Distillation (DISTIL) S10.

29. The simulation is completed now run the simulation and check the mole flow
through each equipment.
Results and Discussion:
The calculated vapor composition of 0 indicates that the vapor phase leaving the distillation
tower is purely liquid. This implies that the components with higher boiling points (n-pentane
and n-hexane) have not vaporized at the specified conditions and remain in the liquid phase.
The liquid composition of 1 suggests that the liquid leaving the distillation tower is entirely
liquid and contains all the components of the original mixture. This means that no
vaporization has occurred, and the liquid phase still retains the original composition.
Temperature of the Vapor–Liquid Mixture: The calculated temperature of 97.34 °C indicates
that the preheating of the mixture has caused a significant increase in temperature. This rise
in temperature is likely due to the heat input for the preheating process. The temperature is
crucial for maintaining the distillation process within the tower. The results are shown in table
1.

Table 1:

In task two we have computed the equilibrium composition of all phases which are shown in
the table below.
Table 2
In task 3 we have the molar flow rate of benzene and toluene. In S2 the benzene is 0.15 and
toluene is 34.46 while in S3 stream benzene is 14.85 and toluene is 0.35 which is shown in
below table.
Table 3

Conclusion:
In Task 3, the component separator operation was applied to a stream with a flow rate of 50
kmol/hr, containing benzene and toluene with initial mole fractions of 0.3 and 0.7,
respectively. The goal was to separate the components using a component separator,
resulting in a top product with 0.99 benzene and 0.01 toluene.
The obtained results are summarized in the table below:

Stream Benzene (kmol/hr) Toluene (kmol/hr)

S2 0.15 34.46

S3 14.85 0.35
The results of Example 6.1 and Task 3 indicate successful separation processes. In Example
6.1, preheating the mixture led to a significant increase in temperature, affecting the vapor-
liquid equilibrium. The calculated compositions and temperature provided insights into the
distillation process. In Task 3, the component separator effectively separated benzene and
toluene in the stream, producing distinct top and bottom products with desired
compositions. Both examples highlight the importance of thermodynamic and separation
processes in chemical engineering applications.
The component separator successfully achieved the separation of benzene and toluene in
the given stream. In the top product (S2), the benzene content increased significantly to
0.99, while the toluene content decreased to 0.01. On the other hand, the bottom product
(S3) mainly consists of benzene with a mole fraction of 14.85, and the toluene content is
reduced to 0.35. This separation process effectively produced two distinct streams with
significantly different compositions, demonstrating the capability of the component
separator to selectively separate components based on their mole fractions.

References:
10. Bedica, B. (2012). FIRE HEATER ENGINEERING ECONOMICS & DESIGN.
https://www.researchgate.net/publication/257728119
11. CHEMICAL ENGINEERING VOLUME 2 FIFTH EDITION Particle Technology and
Separation Processes. (n.d.).
12. Valverde, J. L., Ferro, V. R., & Giroir-Fendler, A. (2023). Automation in the simulation
of processes with Aspen HYSYS: An academic approach. Computer Applications in
Engineering Education, 31(2), 376–388. https://doi.org/10.1002/cae.22589.
LAB NUMBER 11
Objective:
The objective of the lab is To simulate Examples of chapter 6 using Aspen Hysys and Aspen
Plus.
THEORY:
This separation is achieved via the distillation process, which entails heating the mixture to
evaporate the more volatile components and then condensing the vapours back into liquid
form.
Feed Overview: The mixture, also known as the feed, is injected at the bottom of the column.
This feed is typically composed of many substances, each having a different boiling point.
Vaporisation: Several trays or packing materials make up the column. As the feed moves up
the column, it heats up. The element with the lowest boiling point is the one that vaporises
first. The liquid remaining in the column ascends.
Fractionation: The rising vapour touches trays or packing material where the liquid and
vapour phases meet. This makes it workable for mass to move from the fluid to the fume
stages, isolating the constituents as per their bubbling temperatures. For viable connection
between the fume and fluid, a huge surface region is made by the plate or pressing. Where the
fume and fluid stages meet, the rising fume comes into contact with plate or pressing
material. This makes it feasible for mass to move from the fluid to the fume stages, isolating
the constituents as indicated by their bubbling temperatures. The packing or trays provide a
significant amount of surface area so that the liquid and the vapor can interact effectively.
Condensation: Near the top of the column, the vapour returns to liquid as it condenses. The
distillate or above item is the name given to this dense fluid.
Reflux: Reflux, or the arrival of a consolidated fluid to the section, is conceivable. Because of
the expanded contact this reflux makes between the dropping fluid and rising fume on the
plate or pressing, partition is gotten to the next level. To achieve maximum separation, reflux
volume is controlled.
Item Withdrawal: Different item withdrawals or side streams are produced using different
segment levels. Each withdrawal contains a variety of component concentrations, allowing
for the collection of desired compounds at specific purities.
Distillation columns are frequently utilized in the petroleum refining industry to separate
crude oil into various fractions, such as gasoline, diesel, and kerosene, among other products.
In compound tasks, they are likewise utilized in the division and sanitization of different
synthetic substances. A refining segment's development and not entirely settled by the points
of interest of the feed combination and the expected item boundaries.

The activity and plan of the refining segment are adjusted to the points of interest of the feed
blend and the expected items. The fractionation of parts is supported by plate or pressing
materials inside the section that empower mass exchange between the fluid and fume stages.
Separate fractions can be collected by withdrawing product at varying heights, which
increases separation efficiency when reflux is used sparingly.
Refining segments are a significant supporter of the creation of fundamental materials for
various purposes, whether they are utilized in the oil refining industry to fractionate raw
petroleum or in substance tasks to decontaminate compounds. The refining segment is as yet
fundamental for the fruitful partition and cleansing of synthetic blends as innovation and
handle improvement create.

Figure 45 Fenskey Equation to find Number f Plates.

The operation and design of the distillation column are adapted to the particulars of the feed
mixture and the intended products. The fractionation of components is encouraged by trays or
packing materials inside the column that enable mass transfer between the liquid and vapour
phases. Reflux applied sparingly improves separation efficiency, and separate fractions can be
collected by withdrawing product at varying heights.
Distillation columns are a major contributor to the production of necessary materials for a
variety of purposes, whether they are used in the petroleum refining industry to fractionate
crude oil or in chemical operations to purify compounds. The distillation column is still
essential to the successful separation and purification of chemical mixtures as technology and
process optimization develop.

Procedure:
Example 6.3 A preheated mixture from Example 6.1 (stream F) has to be separated in a
distillation tower. The mole fraction of n-propane in the bottom product is 0.05 and that of n-
butane in the distillate is also 0.05. Using the Fenske–Underwood–Gilliland method, calculate
the minimum reflux ratio and the minimum number of theoretical stages needed. Assuming a
reflux ratio 1.5 times higher than the minimum reflux ratio, calculate the actual number of
trays, optimal feed stage, condenser and reboiler temperature, and distribution of nonkey
components into the distillate and bottom. Consider a uniform pressure in the column of 700
kPa.
1. First, we have to open the Aspen Hysys and then we go to new and click on the blank
sheet. Then, we go to components and add the required components as shown below.
2. After that we go to methods and add the Ping-Robn method as shown below.

3. Then go to simulation and add heater first. After that we have to give the specification
of heater and then add the distillation column as shown below.

4. Then we double click on the distillation column and from there we add some
important specification as shown below.
 5. After that we run the simulation then double click on the column and click on the
performance and see the results as shown below.

Rigorous Method:
Figure 6.9 shows a general scheme for a cascade of N theoretical stages. Rigorous methods
usually solve a system of nonlinear algebraic equations consisting of material balance, phase
equilibrium, energy balance, and summation equations for each theoretical stage. This system
of equations, the so-called MESH (material-equilibrium summation-heat) is a universal tool to
calculate any type of cascade system based on the equilibrium stage concept. A general form
of the MESH equation can be written as follows:
In these equations, n represents mole flow, x mole fraction in the liquid phase, y mole fraction
in the vapor phase, K equilibrium constant, h molar enthalpy, and Q heat flow. Subscript i
represents component, j stage, L liquid, V vapor, SV side vapor, SL side liquid, F feed, and N
last stage, respectively.

Procedure:
6. Continue this problem from the last simulation but in this case only heater
specification will be the same, but we change the D C with the D c as shown below.
7. Then we have to double click on the DC and add the inlet, outlet streams and other
specification as shown below.

8. After that we double click on the distillation and go to design from there we go to the
monitor and from there we add the specification that are shown in the below picture.

9. Then we go to performance and from there we go to the plots as shown below and
from there we draw different plots.
Graph 01: Temperature Vs Tray Position Form Top.

Graph 02: Pressure Vs Tray Position Form Top.

Graph 03: Flow Vs Tray Position Form Top.

Graph 04: Composition Vs Tray Position Form Top.

Graph 05: K-Value Vs Tray Position Form Top.

Retention and Desorption:

The mass transfer rate equation is typically used for hand calculations of stripping and
absorption of single components in packed columns. Notwithstanding, this approach has
numerous limits when multicomponent retention in plate segments is contemplated. The
rigorous SR, inside-out, and SC methods can be used to calculate absorption and stripping with
multiple components and stages. In Aspen HYSYS, Safeguard Segment Subflowsheet can be
utilized to demonstrate the assimilation cycle and the Reboiled Safeguard Section
Subflowsheet model for displaying of strippers. In Aspen In addition, the RadFrac model is
utilized to demonstrate the two safeguards and desorbers. No Reboiler and No Condenser are
selected when RadFrac is used to model absorbers; The column's bottom is connected to the
gas feed, and the top is connected to the liquid solvent. At the point when feed streams are
determined, the quantity of the levels of opportunity is zero and no more details can be added.
A common setup of the RadFrac model for a stripper is a section with a reboiler yet without a
condenser.
Example 6.8 To an absorber with 30 stages, 1,970 kmol⋅h−1 of gas with the following
composition (g⋅Nm−3 of gas) enter: methane (594), ethane (112.7), propane (94.45), i-butane
(23.34), n-butane (44.084), i-pentane (12.88), and n-pentane (25.75). As the absorbent, paraffin
oil with the same properties as n-dodecane is used. Molar flow of the absorption oil is 3,000
kmol⋅h−1. Efficiency of the column is 20%. Pressure at the column bottom is 0.51 MPa, and
at the column top it is 0.495 MPa. Temperature of both gases inlet stream and solvent stream
is 32 ◦C. The absorbent is regenerated in a desorber with six theoretical stages. Using Aspen
HYSYS, calculate the composition of the gas and liquid phases leaving the absorber. Calculate
also the amount and composition of gas from the desorber.

Procedure:
10. First, we have to open the Aspen Hysys and then we go to new and click on the blank
sheet. Then, we go to components and add the required components as shown below.
11. Then we go to the method and select Peng-Robn method as shown below.

12. Then we go to the simulation and from there we will add the absorber column and
give intel and outlet streams and specify the other requirements as shown below.
13. Then we fill some basic requirements as shown below.

14. Fill the specification of L stream as shown in the below picture.

15. Then fill the specification of G stream as shown in below picture.

16. Then we double click on the column and go to worksheet and see the specification as
shown below.

17. Then we go to the parameters and from there we go to the efficiencies and add 0.2
efficiency as shown below.
18. .Now add Reboiler Absorber and connect the outlet of the distillation column with the
inlet of the reboiler absorber as shown below.

19. Then we again click on the design and fill the monitor requirements as shown below.
20. Then we run the simulation and see the results as shown below.
Extraction:
The selected thermodynamic model for solving an extraction process must enable calculating
the liquid– liquid equilibrium. Taking into account two liquid phases and the liquid–liquid
equilibrium, the same rigorous methods as for distillation and absorption can be applied in case
of extraction. To model one-stage extraction, use the FLASH3 model of Aspen Plus or Three-
Phase Separator of Aspen HYSYS. In case of multistage extraction, there are two possibilities:
to connect a number of FLASH3 or Three-Phase Separators in series, or to use the EXTRACT
unit operation block of Aspen Plus or Extraction Column Subflowsheet of Aspen HYSYS.
Example 6.9: Benzene is extracted from 1,000 kmol⋅h–1 of its solution with heptane (55 mol%
of heptane + 45 mol% of benzene) using dimethylsulfoxide (DMSO). Liquid–liquid extraction
is carried out at 20 ◦C in a countercurrent extractor with six theoretical stages. A regenerated
solvent used in this process contains 2 mol% of benzene and 98 mol% of DMSO. Calculate the
solvent requirement for a 90-mol recovery of benzene in the extract phase. Determine the
amount and composition of the final extract and raffinate phase.

Procedure:
21. First, we have to open the Aspen Plus and then we go to new and click on the blank
sheet. Then, we go to components and add the required components as shown below.

22. Then we go to the method and select the UNIQUAC method as shown below
23. Before going to simulation section run the analysis and check the ternary diagram.

24. Go to the simulation Column and add extractor, and their streams.

25. Double click on F and set the input specification do the same for stream S as well.
26. Go to the flow sheeting option and set the NFB and NRB.
27. Now go to the spec and vary section.
28. Define the extractor block; enter the number of theoretical stages; for Thermal
Options, select Adiabatic.
29. Now the simulation has done run the simulation and check the results.

Example 7.1 2,000 kg⋅h−1 of dolomite (CaCO3⋅ MgCO3) with the initial moisture content of
0.2 (wet base) and temperature of 95 ◦C is dried in a concurrent dryer. The dryer length is 6 m,
and the solid residence time in the dryer is 3 h. Calculate the solid moisture content at the dryer
outlet if the air initial temperature is 200 ◦C, its mass flow is 10,000 kg⋅h−1, and the mass
fraction of water in inlet air is 0.002. Calculate also the temperature and moisture content
profiles of both solid and gas phases. Consider the following data for convective mass transfer
coefficient, drying curve (Table 7.1), and PSD (Table 7.2): convective mass transfer coefficient
of 5 × 10−4 m⋅s−1, equilibrium moisture content of solid phase of 0.05 dry basis, and critical
moisture content of 0.1 dry basis.
Procedure:
30. Open the aspen plus and add the Components.

31. Select the suitable method from method section.

32. Go to the setup specification and select Global setting.

33. Go to the Solids and select the moisture components.

34. Go to the PSD section and moisture components.

35. In simulation section select the solid <dryer.

36. Double click on Gas In and set the composition.

37. Go to the CI Solid page and set specification.

38. Now double click on Block and set the specification.
39. Now mass/heat transfer page set the specify mass transfer coefficient. Then set the
drying curve.

40. Now run the simulation and check the results.

Example 7.2 5,000 kg⋅h−1 of an aqueous solution of CuSO4 containing 6 wt% of CuSO4
with the initial temperature of 95 ◦C and the pressure of 1 bar is first concentrated in a
evaporator to 40 wt% of CuSO4, then it is fed to a crystallizer. The solution is mixed with a
500 kg⋅h−1 recirculated stream and cooled to 20 ◦C at 1 bar, where crystallization of
CuSO4⋅5H2O from the solution occurs.
Procedure:
41. Open the aspen plus add the components and select the method.
42. In simulation section select the flash 2 separator and then crystallizer.

43. Double click on F inlet stream and set the specification.

44. Go to the flow sheeting option<design specification and add new ID.

45. Go the define and then in section and set the reference and specification.
46. Now go to the block of crystallizer and set the operating condition.
47. Select the solubility basis from Solubility section.

48. Next to the Recirculation section and set the specification section.
 49. Now run simulation and check the results.

Example 7.3 Product stream from Example 7.2 contains crystals of CuSO4⋅5H2O and water.
The crystals of CuSO4⋅5H2O are separated by filtration so that 2% of the crystals is lost in
water, and, on the other side, 0.1% of water is recovered from the solid phase. Calculate the
mass flow and composition of the product streams.
Procedure:
50. Add the filter from simulation section and Solid separator go the block and select the
model separator and the specification. After that run the simulation.
Result and Conversation:
The assimilation cycle might be displayed in Aspen HYSYS utilizing the Safeguard Segment
Subflowsheet, and strippers can be demonstrated utilizing the Reoiled Safeguard Section
Subflowsheet model. Aspen In addition to models the two safeguards and desorbers utilizing
the Rad Frac model. Gas feed is provided to the lower part of the section and fluid
dissolvable to the top in the event that Rad Frac is utilized to demonstrate safeguards and No
Reboiler and No Condenser are picked. Once feed streams have been specified, no additional
specifications can be added because there are no degrees of freedom. A section with a reboiler
however no condenser is a typical Rad Frac model plan for a stripper.
Conclusion:
Aspen In addition to is made for consistent state recreations, with an accentuation on process
plan, enhancement, and investigating; Aspen HYSYS is made for dynamic interaction
reenactment, with an accentuation on continuous way of behaving and advancement. The
modern thermodynamic models and functionalities presented by the two stages meet the
prerequisites of interaction industry experts and synthetic designers.
Involving Aspen In addition to's abilities for mass/energy adjusts and complicated compound
response energy, designs regularly use it for the underlying consistent state plan of synthetic
cycles. Then, Aspen HYSYS is utilized for dynamic reproduction, which empowers clients to
do responsiveness studies, work on working circumstances, and research the transient way of
behaving of cycles across time.
Aspen HYSYS and Aspen In addition to coordinated in work process situations accommodate
a more careful technique for process displaying and examination. With regards to taking care
of the different hardships introduced by perplexing frameworks in areas like petrochemicals,
synthetics, and oil and gas, this two dimensional methodology is exceptionally useful. The
blend of consistent state and dynamic reenactments can assist engineers with come by
additional exact and useful outcomes over a cycle's entire lifecycle.

Reference:
1. Juma Haydary; Chemical Process Design and Simulation: Aspen Plus and Aspen
HYSYS Applications; Wiley & Sons, Inc; First Edition, 2019.
2. Bedica, B. (2012). FIRE HEATER ENGINEERING ECONOMICS & DESIGN.
https://www.researchgate.net/publication/257728119
3. CHEMICAL ENGINEERING VOLUME 2 FIFTH EDITION Particle Technology and
Separation Processes. (n.d.).
4. Valverde, J. L., Ferro, V. R., & Giroir-Fendler, A. (2023). Automation in the simulation
of processes with Aspen HYSYS: An academic approach. Computer Applications in
Engineering Education, 31(2), 376–388. https://doi.org/10.1002/cae.22589.

Lab 12
Objective:
The objective of the lab is
• Aspen Energy Analyzer's heat exchanger network simulation is the main goal.
• Using Aspen Energy Analyzer to estimate the heating and cooling utility requirements
• Calculating the system-specific heating and cooling utility costs
The plotting of various heat exchanger network curves.
• Calculating heat exchanger area;
• Simulating one or more hot and cold streams.
Theory:
A technique called process simulation is used in the design, development, optimisation, and analysis
of various processes, including manufacturing, power plants, environmental systems, biological
processes, and chemical production. Engineering, manufacturing, the physical and environmental
sciences, biological research and engineering, business, and even everyday life can all benefit from its
applications.
Process simulation is the next step in engineering after developing The mathematical models used in
chemical engineering are based on momentum, energy, and mass balances. Therefore, the goal of
simulation in chemical engineering is to resolve the balances of mass, energy, and momentum. Even
Nevertheless, using computers for simulation is closely linked to their use, which they really make
easier. But it may also be done by hand, so using a computer is not necessary. Computers, however,
may greatly aid in the simulation process and have made it simpler to comprehend and carry out.
There are several options for simulation software.
Software for Simulation:
Aspentech created ASPEN Energy Analyzer as a simulation tool specifically for modelling heat
integration and heat exchanger network issues.

Heat recovery:
With this software it is also possible to estimate the heat recovered after thermal integration. Heat
recovery from simulated heat exchanger networks is about identifying and optimizing options for
capturing and reusing heat in the process.
Tracking:
The software has integrated tools for tracking individual heat and cold flows. The software also offers
the ability to display multiple flows and complex curves. A composite curve is a graphical
representation used in the field of process integration and heat exchanger network design to analyze
the thermal properties of a process or system.The composite curve provides valuable information
about heat transfer requirements and allows engineers to optimize heat exchanger networks to
improve energy efficiency. There are two basic types of compound curves: the large complex curve
and the subcomplex curve.
1. Large Composite Curve:
The Grand Composite Curve (GCC) represents the overall heat balance of an entire process or system.
Visualizes the relationship between the temperature profiles of hot and cold streams in a process and
illustrates the heat transfer requirements at different temperature levels.The
GCC typically consists of two curves: the Warm Composite Curve (HCC) and the Cold Composite
Curve (CCC).
Hot Composite Curve (HCC):
Represents the stored heat available from hot streams at various temperature levels. It starts at the
lowest process temperature and continues until the highest temperature.
Cold Composite Curve (CCC):
Represents the cumulative heat demand of refrigeration streams at different temperature levels. This
begins at the highest process temperature and continues down to the lowest temperature.
The intersection of HCC and CCC is called the “clamp point”. The compression point determines the
minimum temperature difference between the hot and cold streams and indicates the limiting factor
for heat recovery.
2nd sub-composite curve:
A subcomposite curve (SCC) is a more detailed representation that focuses on a specific temperature
range throughout the process. It is part of the Grand Composite Curve and allows a more detailed look
at heat transfer requirements over a specific temperature range.

Task Number 01

Utility Calculation and Utility Targets

Task 01:
1. First open the Aspen energy analyser.
2. Then the below mentioned window will be opened.

Figure 1

3. Then click on the ‘Feature’ and then click on the ‘HI Project’.
 Figure 2

4. Then name the stream as H1, H2 for heating and C1,C2 for cooling streams.
5. Then add the inlet and outlet temperature of the streams.
6. Then add the enthalpy of each stream.

Figure 3
7. Then the composite will be constructed automatically.
8. From this composite curve, the behaviour of both the hot and cold steams can be seen.

Figure 4
9. Then click on the ‘Targets’.
10. Then this will show the energy targets as heating and cooling utilities.
11. Pinch temperature and area targets can also be taken from here..

Figure 5

Task no# 02

GCC & BCC & Targets

1. First open the Aspen energy analyser.
2. Then the below mentioned window will be opened.
 Figure 1

3. Then click on the ‘Feature’ and then click on the ‘HI Project’.

Figure. 2

4. Then name the stream as P1, P2 for heating and F1,f2 for cooling streams.
5. Then add the inlet and outlet temperature of the streams.
6. Then add the enthalpy of each stream.

Figure 3
7. Then click no the ‘utility streams’ and name the stream as Hot Oil, cooling water and LP
steam generation.
8. Then add the inlet and outlet temperature of the streams.
9. Then add the enthalpy of each stream.

Figure 4
10. Then the Grand composite curve will be constructed automatically.
11. From this composite curve, the behaviour of both the hot and cold steams can be seen.
 Figure 5
12. Then click on the ‘Targets’.
13. Then this will show the energy targets as heating and cooling utilities.
14. Pinch temperature and area targets can also be taken from here.

Figure 6
15. Then click on the ‘Targets’ and then ‘Plots/Tables’.
16. Then this will show the composite curve table and then the graphs are given in different mode
such as balanced composite curve.

Figure 7

Task no# 03

HEN Design
1. First open the Aspen energy analyser.
2. Then the below mentioned window will be opened.
 Figure 1

3. Then click on the ‘Feature’ and then click on the ‘HI Project’.

Figure 2

4. Then name the stream as P1, P2 for heating and F1,f2 for cooling streams.
5. Then add the inlet and outlet temperature of the streams.
6. Then add the enthalpy of each stream.

Figure 3
7. Then click no the ‘utility streams’ and name the stream as Hot Oil, cooling water and LP
steam generation.
8. Then add the inlet and outlet temperature of the streams.
9. Then add the enthalpy of each stream.

Figure 4
10. Then the Grand composite curve will be constructed automatically.
11. From this composite curve, the behaviour of both the hot and cold steams can be seen.
 Figure 5

12. Then click on the ‘Targets’.

13. Then this will show the energy targets as heating and cooling utilities.
14. Pinch temperature and area targets can also be taken from here.

Figure 6
15. Then click on the ‘Targets’ and then ‘Plots/Tables’.
16. Then this will show the composite curve table and then the graphs are given in different mode
such as balanced composite curve.

Figure 7
17. Then click on the ‘Scenario’ and then ‘Design’.
18. This will open up the new window.

Figure 8
19. Then click on the icon of heat exchanger and add the heat exchanger on selected hot and cold
streams.
20. Then click on the heat exchanger and the below mentioned window will be opened.
 21. Then the required temperature conditions and this will calculate the enthalpy value needed for
the required streams.

Figure 9
22. Then the add the remaining heat exchanger and give them their required values.
23. The below mentioned network of the heat exchangers show the heat transfer between the hot
and cold streams.

Figure 10

Results and discussion:

A heat exchanger network was simulated to optimize the heat transfer process, minimize supply
requirements and increase overall energy efficiency. Results and discussions are presented based on
various aspects of the simulation:

1. Heat transfer:
The simulation showed efficient heat transfer in the network, with a significant amount of heat being
exchanged between the hot and cold streams. Heat transfer values were calculated for individual heat
exchangers and aggregated for the entire network. The results demonstrated the effectiveness of the
heat exchanger network in transferring thermal energy between process streams.
2. Terms of use:
The simulation allowed us to estimate public service needs, including heating and cooling needs. The
aim was to minimize dependence on external services and optimize the use of internal heat recovery.
3. Type of tool used:
Various types of fluids were considered in the simulation, including steam, hot water, chilled water,
and other cooling or heating fluids.
4. Compound curves: To visualize the heat transfer characteristics of the entire process,
composite curves were created. The Grand Composite Curve (GCC) illustrates the overall heat
balance and highlights the Hot Composite Curve (HCC) and the Cold Composite Curve (CCC).
Pressure points were identified on the composite curves that indicate minimal temperature differences
that allow heat recovery.
5.Design of the heat exchanger network: The simulation results were used to design and optimize the
heat exchanger network. The heat exchanger location, flow sequence and service location were
strategically determined to maximize heat recovery and minimize energy consumption.
6. Desired area: The simulation provided detailed information about the space required for each heat
exchanger. Taking into account the individual shares of each heat exchanger, the total area
requirement for the entire heat exchanger network was calculated.
Discussion:
The simulation results showed that the heat exchanger network effectively uses internal heat recovery
mechanisms, thereby minimizing the dependence on external services. The composite curves helped
identify and eliminate pressure points and guided the design process to achieve optimal heat recovery.
Selecting the appropriate media played a key role in meeting process requirements while maintaining
profitability. The design of the heat exchanger network demonstrated improved energy efficiency,
lower operating costs and minimal environmental impact. The simulation enabled sensitivity analyzes
and examined various scenarios and parameters to further optimize the network.
Conclusion:
All in all, the recreation of the intensity exchanger network utilizing progressed devices, for example,
composite bends and utility examination has shown to be instrumental in enhancing energy
productivity and functional expenses. By decisively planning the intensity exchanger organization and
utilizing inward intensity recuperation components, the recreation empowers specialists to accomplish
significant intensity trade between process streams while limiting dependence on outside utilities.
The perception of composite bends, including the Hot Composite Bend (HCC) and Cold Composite
Bend (CCC), gives an all encompassing outline of the intensity move qualities inside the framework.
The design process is guided by the pinch points on these curves, making it possible to implement
specific solutions to maximize heat recovery.

References:
▪ Juma Haidari; Chemical Process Design and Simulation: Aspen Plus and Aspen HYSYS
Applications; Wiley & Sons, Inc; First Edition, 2019
▪ https://www.britannica.com/science/distillationcolumn#:~:text=In%20chemical%20analysis%
3A%20Distillation,components%20in%20the%20later%20fractions.CHEMICAL
ENGINEERING VOLUME 2 FIFTH EDITION Particle Technology and Separation Processes.
(n.d.).
▪ https://kimray.com/training/what-flash-separator
LAB REPORT (PROJECT)
Abstract
PRODUCTION OF FORMALDEHYDE FROM METHANOL (SENSITIVITY
ANALYSIS)

This study focuses on the design and optimization of a solid-catalyzed gas-phase formaldehyde
synthesis process from methanol, aiming to achieve an annual production rate of 120,000 tons
of formaldehyde (99.1 wt%) and the by-product pure nitrogen. The reaction kinetics for the
conversion of methanol to formaldehyde and its subsequent oxidation to carbon monoxide and
water are described by complex rate equations. The process comprises a mixer, plug-flow
reactor (PFR), and three flash units for water removal, nitrogen separation, and formaldehyde
purification.
To achieve the desired product purity, rigorous sensitivity analyses are conducted for each
process block, starting from the PFR down to the final flash unit (FLASH3). The impact of
operating pressure and temperature on key performance indicators, including the mole fraction
ratio of formaldehyde to carbon monoxide (HCHO/CO) in the product stream (PRDCT), the
mass fraction of formaldehyde in the first flash unit (F1TOP), the mass fraction of nitrogen in
the second flash unit (F2TOP), and the mass fraction of formaldehyde in the formaldehyde
stream (HCHO), is investigated.
The study employs Aspen Plus software for process simulation, utilizing appropriate property
methods and unit operations. The economic feasibility of the process is evaluated by defining
unit prices for each feed and product stream, and utilities are associated with relevant process
blocks. The results provide insights into the optimal operating conditions for achieving high
selectivity and purity in formaldehyde production while maximizing nitrogen recovery as a
valuable by-product.
Unit prices for each feed and product stream were defined, and utilities were associated with
the relevant process blocks. Using the Aspen Process Economic Analyzer (APEA), a
comprehensive economic analysis was carried out, and profitability indices for the investment
project were determined. The economic feasibility of the proposed process was assessed,
considering factors such as capital and operating costs, revenue from product sales, and
return on investment.

Acknowledgments

I would like to express my sincere appreciation to my dedicated group members whose

collaborative efforts were integral to the success of this project. Special thanks to Tayyab
Khan, Armaghan Faisal, Muhammad Haseeb, and Ahmed Nouman Shabir. Your commitment,
hard work, and teamwork significantly contributed to the accomplishment of our project
goals.
I extend my deepest gratitude to our esteemed teacher, Dr. Amir Muhammad, for his
unwavering support, guidance, and expertise throughout the project. Dr. Amir's mentorship
played a pivotal role in shaping our understanding and ensuring the quality of our work.
I am also thankful for the support and cooperation received from all individuals involved in
this project. Your contributions, whether direct or indirect, have been invaluable.
Lastly, I acknowledge and appreciate the collaborative spirit within our team, which made
this project both challenging and rewarding. Together, we have achieved a significant
milestone, and I am grateful for the opportunity to work alongside such dedicated individuals.
Table Contents
Abstract .............................................................................................................................. 218
Acknowledgments .............................................................................................................. 218
Introduction: ....................................................................................................................... 221
Chemical Properties:....................................................................................................... 221
Physical Properties: ........................................................................................................ 222
Uses of Formaldehyde: ................................................................................................... 222
Economic Analysis Using Aspen Process Economic Analyzer (APEA) for Solid-Catalyzed
Gas-Phase Formaldehyde Synthesis: ................................................................................. 223
Objective: ........................................................................................................................... 223
Production of Formaldehyde from Methanol (Sensitivity Analysis): ................................ 224
Process Description: ........................................................................................................... 224
Sensitivity Analyses: .......................................................................................................... 226
Use Catalyst: ...................................................................................................................... 227
Iron-Molybdate ............................................................................................................... 227
Methodology: ..................................................................................................................... 227
Method Use: ................................................................................................................... 228
Result & Discussion: .......................................................................................................... 228
Conclusion:......................................................................................................................... 229
References: ......................................................................................................................... 230
Introduction:
Formaldehyde is a simple organic compound with the molecular formula CH2O. It is a
colorless gas with a pungent and characteristic odor. Formaldehyde is the simplest aldehyde
and is an important building block in the synthesis of various organic compounds. It is widely
used in industry and commerce, and it also occurs naturally in small amounts in some fruits,
vegetables, and meats.
Chemical Properties:
1. Molecular Formula: CH2O
2. Chemical Structure:
• Formaldehyde has a central carbon atom bonded to two hydrogen atoms and a
single oxygen atom.
• Structure: H-C=O

Figure 46.1: Formaldehyde Formula

3. Functional Group: Aldehyde

4. IUPAC Name: Methanal
5. Common Names: Formalin, Formol, Methanal
6. Molecular Weight: 30.03 g/mol
7. Melting Point: -92 °C (-133.6 °F)
8. Boiling Point: -19 °C (-2.2 °F)
9. Density: 0.815 g/cm³ (at 25 °C)
10. Solubility:
• Formaldehyde is highly soluble in water.
• It forms a solution known as formalin when dissolved in water.
11. Reactivity:
• Formaldehyde is a highly reactive compound.
• It can undergo various reactions, including polymerization, condensation, and
oxidation.
12. Combustibility:
 • Formaldehyde is flammable and can ignite in the presence of an open flame.
Physical Properties:
1. State: Formaldehyde exists as a gas at room temperature but is often encountered in a
liquid form as formalin (a solution of formaldehyde in water).
2. Color: Colorless
3. Odor:
• Formaldehyde has a strong, pungent odor.
• The characteristic smell is distinctive and can be detected even at low
concentrations.
4. Vapor Pressure: 42.1 psi (at 20 °C)
5. Vapor Density: 1.03 (compared to air)
6. Flammability Limits:
• Lower Explosive Limit (LEL): 7%
• Upper Explosive Limit (UEL): 73%
7. Corrosivity:
• Formaldehyde is corrosive to metals and can cause damage on prolonged
exposure.
8. Health Hazards:
• Formaldehyde is a known human carcinogen, and prolonged exposure may
lead to respiratory and skin irritation.
Uses of Formaldehyde:
Formaldehyde has a wide range of applications across various industries due to its unique
chemical properties. One of its primary uses is in the production of resins and plastics. The
polymerization of formaldehyde gives rise to urea-formaldehyde and phenol-formaldehyde
resins, which are essential in manufacturing products like plywood, particleboard, laminates,
and molded plastics. These materials find applications in furniture, construction, and various
consumer goods.
Formaldehyde serves as a crucial disinfectant and preservative. In the form of formalin, a
solution of formaldehyde in water, it is employed for the preservation of biological
specimens, such as tissues and organs in laboratories. The preservation capabilities of
formaldehyde make it a key component in embalming fluids used in the funeral industry.
The textile industry also relies on formaldehyde in processes like textile finishing.
Formaldehyde-based resins are applied to textiles to enhance qualities such as wrinkle
resistance and durability. Moreover, formaldehyde-based compounds are used in the
production of leather goods, ensuring the stabilization and preservation of leather materials.
Despite its numerous industrial applications, it's important to note that formaldehyde poses
health hazards, and exposure should be carefully managed. Regulatory guidelines and safety
measures are in place to protect workers and consumers when handling products containing
formaldehyde.
Economic Analysis Using Aspen Process Economic Analyzer (APEA) for Solid-Catalyzed
Gas-Phase Formaldehyde Synthesis:
In this study, unit prices for each feed and product stream were meticulously defined, and
utilities were strategically associated with relevant process blocks. Leveraging the
capabilities of the Aspen Process Economic Analyzer (APEA), a thorough economic analysis
was conducted to assess the profitability of the proposed solid-catalyzed gas-phase
formaldehyde synthesis from methanol. Key considerations in this analysis encompass capital
and operating costs, revenue projections from product sales, and the overall return on
investment. The economic feasibility of the envisioned process was scrutinized to provide
valuable insights into the financial viability of the investment project.
Objective:
The primary objective of this study is to design and optimize a solid-catalyzed gas-phase
formaldehyde synthesis process from methanol, to achieve an annual production rate of
120,000 tons of formaldehyde (99.1 wt%) and pure nitrogen as a by-product. The process
involves a mixer, a plug-flow reactor (PFR), and three flash units for water removal, nitrogen
separation, and formaldehyde purification.
Specifically, the objectives are as follows:
1. Process Design and Optimization:
• Develop a robust process design for the synthesis of formaldehyde from
methanol, considering the kinetics of the gas-phase reactions and the
characteristics of the iron-molybdate catalyst.
• Optimize the operating conditions of the PFR, flash units, and other process
blocks to achieve the desired purity levels of formaldehyde and nitrogen.
2. Sensitivity Analyses:
• Conduct sensitivity analyses for each process block, starting from the PFR
down to the final flash unit (FLASH3).
• Investigate the effects of variations in operating pressure and temperature on
key performance indicators, including the mole fraction ratio of formaldehyde
to carbon monoxide (HCHO/CO), mass fraction of formaldehyde in the first
flash unit (F1TOP), mass fraction of nitrogen in the second flash unit
(F2TOP), and mass fraction of formaldehyde in the formaldehyde stream
(HCHO).

3. Property Method and Simulation:

 • Decide on the appropriate property method for the Aspen Plus simulation,
considering the complex nature of the reactions and the properties of the
reactants and products.
• Utilize Aspen Plus software for process simulation, employing the chosen
property method and unit operations to accurately model the formaldehyde
synthesis process.
4. Economic Feasibility:
• Define unit prices for each feed and product stream to assess the economic
feasibility of the formaldehyde production process.
• Associate utilities with relevant process blocks to account for the overall
energy consumption.

Production of Formaldehyde from Methanol (Sensitivity Analysis):

In the production of formaldehyde from methanol, sensitivity analysis is crucial for
understanding how changes in operating conditions within each unit of the process affect key
performance indicators. The focus will be on four key blocks: the Plug-Flow Reactor (PFR),
Flash Unit #1, Flash Unit #2, and Flash Unit #3. The primary parameters of interest include
the mole fraction ratio of formaldehyde to carbon monoxide (HCHO/CO) in the "PRDCT"
stream, the mass fraction of formaldehyde in the "F1TOP" stream, the mass fraction of
nitrogen in the "F2TOP" stream, and the mass fraction of formaldehyde in the "HCHO"
stream.
Process Description:
The given process involves the solid-catalyzed gas-phase conversion of methanol to
formaldehyde with the by-product of pure nitrogen. The reaction scheme consists of two
main reactions: the desired synthesis of formaldehyde from methanol (Equation 18.3) and the
possible complete oxidation of formaldehyde to carbon monoxide and water (Equation 18.5).
The process includes a multitube plug-flow reactor (PFR) where these reactions take place
and several flash units for separating water and nitrogen from the formaldehyde product.

In this study, we examine a simplified reaction process the oxidation of methanol by air to
produce formaldehyde. The Aspen Plus flow diagram, depicted in Figure 1.2, illustrates the
simulation process.
The initial step involves introducing air into the mixer at a rate of approximately 1200
kmol/h, labeled as AIR in the process flow diagram. This air comprises 21% oxygen and 79%
nitrogen. The oxygen content amounts to 252.0 kg/h, and the nitrogen ratio is 948.0 kg/h. The
conditions for the air and methanol stream at this stage are 300°C and 42 bar.
Simultaneously, methanol is introduced into the mixer at a rate of 500 kmol/h, labeled
METHOH, with conditions set at 300°C and 42 bar. The ratio of air to methanol is 1200
kmol/h of air per 500 kmol/h of methanol. The mixing of air and methanol occurs at a
temperature of 300°C and a pressure of 42 bar. Notably, there is no chemical reaction during
this mixing stage.
The mixed stream then proceeds from the mixer to the feed, a connector between the mixer
and the reactor. No chemical reactions occur in this phase.
In the subsequent reactor stage, methanol undergoes reactions, including oxidation with
oxygen and dehydrogenation. The reactor contains an iron-molybdenum catalyst with a bed
porosity of 0.5 and a particle density of 2 g/cm³. Operating conditions involve a temperature
not less than 300°C and a pressure of 42 bar. In this stage, almost all methanol is converted to
formaldehyde, with a conversion rate of 100%, except for a few byproducts. A subsequent
reaction occurs between formaldehyde and oxygen, as represented by equation (18.5).

Following the reactor, the flash separation process begins with the first unit, FLASH 1, as
depicted in Figure 1.2. In this unit, formaldehyde and nitrogen are separated from water, and
then both are transferred to the second unit, FLASH 2. Here, nitrogen is separated from
formaldehyde. Finally, in the last stage, formaldehyde enters FLASH 3, where the remaining
nitrogen is separated, yielding 99% of the weight of formaldehyde.

Figure 1.2: Process diagram to produce formaldehyde from methanol.

 1. Mixer:
• Methanol (CH3OH) is mixed with oxygen (O2) to initiate the gas-phase
conversion reactions.
• Reaction (18.3) and Reaction (18.5) start in this section.
2. Plug-Flow Reactor (PFR):
• The multitube PFR is the core of the process, where the gas-phase reactions
occur over a solid catalyst.
• The reactions in the PFR are responsible for the conversion of methanol into
formaldehyde and the subsequent oxidation of formaldehyde to form carbon
monoxide and water.
3. Flash Unit #1:
• This unit is designed to knock down water from the reaction mixture, as water
is a by-product of the formaldehyde synthesis reactions.
• The separated water is removed as a by-product stream.
4. Flash Unit #2:
• This flash unit is dedicated to substantially stripping off nitrogen (N2) from
the reaction mixture.
• The separated nitrogen is collected as a by-product stream.

5. Flash Unit #3:

• The final flash unit is employed for further separation of formaldehyde
(HCHO) from nitrogen (N2).
• The pure formaldehyde stream is obtained as the main product, while pure
nitrogen is also recovered as a by-product.
Sensitivity Analyses:
Four sensitivity analyses will be conducted for each block from the PFR down to FLASH3.
The key parameters to analyze include the operating pressure and temperature inside each
unit, focusing on the mole fraction ratio HCHO/CO (selectivity) in the "PRDCT" stream, the
mass fraction of HCHO in the "F1TOP" stream, the mass fraction of N2 in the "F2TOP"
stream, and the mass fraction of HCHO in the "HCHO" stream.
Sensitivity analysis is a powerful tool that enables users to investigate how changes in input
variables impact the output of a process. This analytical technique serves as a valuable aid in
understanding how the process reacts to alterations in key operational and design variables.
By modifying one or more flowchart variables, users can observe and analyze the effects on
other variables in the flowchart.
This tool is particularly useful for conducting "if" research, allowing users to explore
different scenarios by adjusting input variables and assessing their influence on other aspects
of the process. Sensitivity analysis is instrumental in verifying that design specifications align
with controlled variables, and it can also facilitate straightforward process optimization.
The outcomes of sensitivity analysis can be visually represented to illustrate the relationships
between different variables. It's important to note that sensitivity studies operate
independently of the basic simulation, and changes made to input variables in these studies
do not affect the ongoing simulation.
During sensitivity analysis, only the quantities entered in the flowchart should be altered or
manipulated. Multiple inputs can be varied, allowing for a comprehensive exploration of
different conditions. This approach allows users to simulate each set of manipulated variables
independently, providing valuable insights into the behavior of the overall process under
varying conditions.
Use Catalyst:
Iron-Molybdate
The iron-molybdate (Fe-Mo) catalyst was discovered in 1926, and by 1931, Adkins and
Peterson conducted a comprehensive study on this catalyst. Their essay focused on
comparing the performance of iron-molybdenum and iron-molybdenum catalysts. The key
findings from their research indicated that when molybdenum is utilized as a catalyst, an
excess of methanol is required for the reaction. Conversely, when iron serves as the catalyst,
formaldehyde does not desorb, and the reaction continues, leading to the production of
carbon oxides.
Interestingly, the optimal results were achieved when a combination of both iron and
molybdenum was used in equal amounts. This balanced mixture proved to be highly effective
and has since become the most employed catalyst in relevant applications. The success of this
catalyst lies in its ability to achieve a synergistic effect by combining the unique properties of
both iron and molybdenum, leading to improved catalytic performance.
Methodology:
The operation of producing formaldehyde from methanol is simulated using software ASPEN
PLUS 10 which is a simulation software with an excellent reference and instruction manual
that is used for the simulation of the process that ASPEN PLUS does not stay until each
process condition is commenced the calculation. Any changes to the data are automatically
propagated anywhere in the program and all necessary recalculations are performed
immediately. ASPEN is an abbreviation of Advanced Process Engineering System. It is based
on one flowchart simulation. Flowchart simulation is computer software for quantitative
modeling of a chemical processing plant. Therefore, the simulation of the whole chemical
process from raw material to finished product is symbolized by different icons, where each
icon represents a unit operation, a chemical process, an input/output material flow, and an
input/output energy flow. In flowchart notation, there is a block icon and a stream icon.
Aspen Plus allows us to predict the behavior of the process. This complex and broad package
is available for almost every aspect of the engineering process from the design phase through
the cost and benefit analysis. It has a built-in model library of distillation columns, separators,
heat exchangers, reactors, and more. The custom or appropriate models can extend its model
library. These user models are often created by using Fortran subroutines or Excel worksheets
and added to their model library. It is important to note that Aspen Plus has a built-in attribute
database of thermodynamic and physical parameters. While calculating the flowchart, any
missed parameters could be automatically estimated and evaluated by the various
contribution methods.
Method Use:
The Peng-Robinson (PENG-ROB) equation of state is utilized as the state equation model in
various applications due to its ability to provide reasonably accurate results, especially for
thermodynamic calculations involving non-polar and hydrogen-free pure fluids and blends.
The PENG-ROB model is particularly suitable for pressurizing applications in refinery main
fractionators, hydrogen-rich processes such as reformers and hydrofiners, lubrication oil
equipment, deasphalting equipment, cryogenic gas processing (air separation and
hydrocarbon separation demethanizer separators), and petrochemical processes like light
hydrocarbon separation, quenching towers, and units involved in substituted hydrocarbons
(acrylonitrile and chemical ammonia units).
In the context of the formaldehyde production process from methanol, PENG-ROB is chosen
because it provides adequate descriptions of both vapor and liquid phases. Furthermore, it is
well-suited for a wide range of temperatures and pressures, making it applicable to the
specific conditions of this process.
The general form of the Peng-Robinson equation is expressed as:

Where:
• P is pressure
• T is temperature
• R is the ideal gas constant
• V is molar volume
• a is a measure of the attractive forces between molecules.
• b is related to the size of the molecules
This equation is a cubic equation of state used to calculate the pressure of a system based on
temperature, molar volume, and molecular parameters (a and b) that characterize the fluid's
behavior. The PENG-ROB model finds applications in a range of industries, including
refinery, gas processing, petrochemicals, and chemicals.
Result & Discussion:
Results:
The optimized process achieved the target annual production rate of 120,000 tons of
formaldehyde (99.1 wt%). This result ensures the economic viability and competitiveness of
the formaldehyde synthesis. The process successfully produces pure nitrogen as a by-product,
reducing waste and providing an additional revenue stream or potential utility within the
facility. The formaldehyde produced meets the specified purity requirements (99.1 wt%),
ensuring compliance with industry standards and facilitating downstream applications. The
first flash unit effectively removes water formed during the reaction, preventing undesirable
side reactions and improving the overall efficiency of the process.
Discussion
The choice of a solid catalyst is crucial for optimizing the gas-phase formaldehyde synthesis.
The catalyst should exhibit high activity, selectivity, and stability under the operating
conditions.
The temperature and pressure profiles within the PFR were optimized to maximize
formaldehyde production while minimizing unwanted by-products. This involved a thorough
analysis of reaction kinetics and thermodynamics.
The design and operation of the flash units were critical for efficient separation of water,
nitrogen, and formaldehyde. The selection of appropriate conditions and equipment ensured
the desired product purity and minimized energy consumption.
Integration of unit operations and process streams was carefully considered to enhance
energy efficiency and overall process sustainability.
A comprehensive economic analysis was performed, considering capital and operating costs.
The results demonstrated the feasibility of the optimized process in meeting production
targets while maintaining economic viability.
Safety measures and environmental impact assessments were conducted to ensure the process
complies with regulations and prioritizes the well-being of personnel and the
surrounding environment.
Conclusion:
In this project, the focus is on the production of formaldehyde through the metal oxide
process, utilizing raw materials such as formaldehyde, methanol, and air. The designed
production capacity for formaldehyde is 120,000 tons per year. A significant portion of the
project is dedicated to the Plug Flow Reactor (PFR), and a thorough study has been
conducted on aspects such as reactor length, diameter, and the number of pipes employed.
The chosen property method for this process is PENG-Robinson, a robust equation of state
model. The design objective is to achieve a minimum of 99.1 wt% purity for both
formaldehyde and nitrogen. Optimal conditions for the desired formaldehyde production have
been determined: operating the PFR at a temperature ranging between 300-400°C and a
pressure of 42 bar. The reactor configuration involves 500 pipes with a diameter of 0.0025
meters and a length of 3.0480 meters.
Simulation of the formaldehyde production process has been performed using the Aspen Plus
program. This software enables the efficient calculation of energy and material requirements
for the entire production process, contributing to a comprehensive understanding and
optimization of the formaldehyde manufacturing operation.
References:
Book: aspen-plus-chemical-engineering-applications-al-malah-k
ww.aspentech.com
Crichton B. in Informally Speaking (Newsletter from Perstorp
Formox, http://www.perstorpformox.com), spring/summer 2003, p. 12-13.
Adkins, H. W.R. Peterson, The oxidation of methanol with air over iron,
molybdenum and iron-molybdenum oxides, Journal of the American Chemical
Society, 53, 1931, 1512-1520.
Häggblad, R. M. Massa, A. Andersson, Stability, and performance of supported.
Fe–V-oxide catalysts in methanol oxidation, Journal of Catalysis, 266 (2009) 218–
227.
Andersson, A. M. Hernelind, O. Augustsson, A study of the aging and
deactivation phenomena occurring during the operation of an iron molybdate catalyst in
formaldehyde production, Catalysis Today, 112, 2006, 40.
Aspen Plus V10, Reference Manual, AspenTech, 1981-1999.
Ress, G., Disteldorf, W., Gamer, A. O., Hilt, A. (2005), Ullmann' Encyclopedia
of Industrial Chemistry. Wiley-VCH, Weinheim.
Deshmukh, S.A.R.K. M.v.S. Annaland, J.A.M. Kuipers, Kinetics of the partial
oxidation of methanol over a Fe-Mo catalyst, Applied Catalysis A, 289 (2005) 240-
255.