PDP Midsem Notes Combined

Revised: Nov 9, 2012
Get Started Guide for New Users of Aspen Plus® V8.0
1. Lesson Objectives
 Learn to create a new Aspen Plus simulation

 Learn to construct flowsheet, including adding blocks and streams, reconnecting streams, and
breaking/joining streams
2. Prerequisites
 Aspen Plus V8.0
3. Background
This tutorial is for first-time Aspen Plus users. It shows new users:
 How to launch Aspen Plus UI

 Where to specify components
 Where to specify physical property methods
 How to move from Properties environment to Simulation environment
 How to construct a flowsheet
The examples presented are solely intended to illustrate specific concepts and principles. They may not
reflect an industrial application or real situation.
4. Aspen Plus Solution

4.01. From your desktop, select Start and then select Programs.
4.02. Select AspenTech, then Process Modeling V8.0 then Aspen Plus, and then Aspen Plus V8.0 The Aspen
Plus main window appears, showing the Start Page.
4.03. Start a new simulation by selecting New on the File tab of the ribbon or pressing Ctrl+N.
1
4.04. Doing so brings up this page. Click on Blank Simulation and then click Create.
4.05. The following form comes up once the new simulation has been created. Enter the components that
appear in the simulation.
2
4.06. Enter AMMONIA in the Component ID field. Because ammonia is a commonly used (and
unambiguously named) component, Aspen Plus fills in the Component name and Alias fields.
4.07. Enter ME-BR in the second row under Component ID. Enter METHYL-BROMIDE in the Component
name column for this row. Aspen Plus recognizes this component name, and so it fills in the Alias field.
If a component cannot be added by typing in the ID or name, click on the Find button to search for it.
4.08. Enter WATER in the third row under Component ID. Aspen Plus fills in the Component name and Alias
fields again. A Component ID is simply a handle for the user and so can be arbitrarily assigned; Aspen
Plus uses Component name to identify the component and find the necessary data for the simulation.
3
4.09. Specify the property methods to be used in the simulation by clicking on the Methods button in the
Navigate group in the Home tab of the ribbon. Alternatively, click the Methods node in the navigation
pane.
4.10. Doing so brings up the following form. Select PENG-ROB (Peng-Robinson equation of state) in the Base
method field.
4
4.11. When the user presses the Next Input button or hits the F4 key (the hotkey for the Next button), the
sheet that needs user’s attention next is displayed.
4.12. When the Next Input button is clicked after the property methods have been specified, this sheet
appears. No further action is required from the user for the binary interaction parameters because they
have been filled up automatically.
5
4.13. Enter the simulation environment. Press the Simulation bar in the navigation pane on the left side of
your screen.
4.14. The simulation environment is shown below. The Model Palette is outlined in red below and a blown
up image of just the palette appears in the next figure.
6
4.15. Create a stream in the flowsheet. Click on the Material button (outlined in red below) in the Model
Palette. Now, the mouse is in the insert mode.
4.16. Click on the flowsheet area in two different spots (one for stream source and again for stream
destination). A stream S1 is drawn in the flowsheet area. The mouse is still in the insert mode. Clicking
in the flowsheet area again will make another stream.
7
4.17. Cancel insert mode. To exit the insert mode, click the Cancel insert mode button (outlined in the red
box below) in the Model Palette. Alternatively, right-click on the main flowsheet to cancel insert mode.
Note that the cursor changes shape when you enter or exit insert mode. It is a “plus” sign in insert
mode, and an arrow when not in insert mode.
4.18. Add and delete a stream. Add another stream in the same way as step 4.15. The flowsheet will look like
the screenshot below.
8
4.19. Delete S2 by right-clicking it and selecting Delete Stream. Streams can also be deleted by clicking on the
stream and pressing the Delete Key.
9
4.20. Add a mixer to the flowsheet. Click on the Mixer button in the Mixers/Splitters sheet of the Model
Palette, and then click on the flowsheet area. Cancel insert mode so more clicks do not add more mixer
blocks.
4.21. The flowsheet will look like the screenshot below.
10
4.22. Connect the stream to the block. Right-click on the stream and click Reconnect Destination.
11
4.23. B1’s inlet port (a red arrow attached to the left side of B1) is displayed. Note that red arrows represent
ports that must be connected with streams. Blue arrows represent ports for optional streams.
12
4.24. Clicking this inlet port connects stream S1 to block B1. The flowsheet will look like the screenshot
below.
13
4.25. Add a reactor to the flowsheet. Click on the Reactors sheet of the Model Palette. Click on the RCSTR
button.
4.26. In the flowsheet area, click on the area on the right side of B1. A RCSTR block B2 is placed on the
flowsheet as shown below. Now, cancel insert mode.
14
4.27. Connect the mixer to the reactor. Click on the Material button in the Model Palette. Doing so will show
all available inlet and outlet ports. Again, red ports are ports that require stream connections, blue are
optional.
15
4.28. Click on the red arrow pointing out of B1 and then click the red arrow pointing into the reactor. Now,
B1 and B2 are connected with a stream. Add an effluent stream by clicking on the red arrow coming
from the reactor and then click on a blank spot on the right of B2. The flowsheet should look like the
screenshot below. The label for S3 is hidden because the B1 and B2 are so close together.
4.29. Clicking on the Material button in Model Palette again shows that there are only blue arrows: all
required ports have been connected with streams.
16
4.30. Add a second feed stream to the mixer. Click on the Material button in Model Palette, click on the blue
arrow pointing into the mixer, and then click a blank spot in the flowsheet. The flowsheet will look like
the screenshot below.
4.31. Add a distillation column. Click to the Columns sheet of the Model Palette. Click on the RadFrac
button.
4.32. Click on the flowsheet to add the column. The flowsheet will look like the screenshot below.
17
4.33. Reconnect the destination of stream S3. Either right-click S3 and select Reconnect Destination or
double click the white arrow at the right end of S3, and then click the red arrow pointing into the
column.
4.34. Reconnect stream source to create recycle stream. Right-click S4 and select Reconnect Source.
4.35. Click on the red arrow coming out from the bottom of the column. The flow sheet will look like the
screenshot below.
18
4.36. Move the recycle stream by clicking and dragging so that the stream is below the blocks. Having a clean
flowsheet becomes very important when there are many blocks and streams.
4.37. Add a stream coming from the top of the column.
19
4.38. Add a heater for the recycle stream S4. Break the recycle stream S4 by right-clicking on it and selecting
Break Stream.
20
4.40. Click on the Heat Exchangers sheet of the Model Palette. Click the Heater button. Add it to the
flowsheet below the reactor.
4.41. Blocks in Apsen Plus typically have inlets on the left side and outlets on the right side. For B4, we need
its inlet to enter on the right side and its outlet to exit on the left si de. Right-click on B4 and select
Rotate Icon | Flip Horizontal as shown below.
4.42. Connect the outlet of the heater to the mixer by reconnecting the source of S4. Create a stream going
to the inlet of B4. The flowsheet will look like the screenshot below.
21
4.43. Join the streams to complete the recycle loop. Click on stream S6, press and hold the Ctrl key on your
keyboard, and then, click S7. Then, release the Ctrl key on your keyboard. Both S6 and S7 are selected.
Right-click one of them and select Join Streams.
22
23
4.45. Rename a block. Right-click on B2 and select Rename Block. Enter a new name, like REACTOR. Both
streams and blocks can be renamed in this way. Alternatively, a block can be renamed by clicking on the
block and pressing Ctrl+M. A stream can be renamed in a similar way.
4.46. You can see the renamed block in the screenshot below.
24
4.47. Reset the view in the main flowsheet. Pressing the Home key resets the view so the whole flowsheet
fills the view. This is shown in the screenshot below. We have drawn our flowsheet. Hitting F4 key will
bring you to the first incomplete form and you can start entering specifications (e.g., stream conditions)
for the simulation.
25
5. Conclusions
After going through steps described in this tutorial, first-time Aspen Plus users should be able to follow the steps
of our examples.
6. Copyright
Copyright © 2012 by Aspen Technology, Inc. (“AspenTech”). All rights reserved. This work may not be
reproduced or distributed in any form or by any means without the prior written consent of
AspenTech. ASPENTECH MAKES NO WARRANTY OR REPRESENTATION, EITHER EXPRESSED OR IMPLIED, WITH
RESPECT TO THIS WORK and assumes no liability for any errors or omissions. In no event will AspenTech be
liable to you for damages, including any loss of profits, lost savings, or other incidental or consequential
damages arising out of the use of the information contained in, or the digital files supplied with or for use with,
this work. This work and its contents are provided for educational purposes only.
AspenTech®, aspenONE®, and the Aspen leaf logo, are trademarks of Aspen Technology, Inc.. Brands and
product names mentioned in this documentation are trademarks or service marks of their respective companies.
26
RX-001 Revised: Oct 11, 2012
Isomerization in a batch reactor with Aspen Plus® V8.0
1. Lesson Objectives
 Use chemical reaction kinetics to calculate the time required to reach a desired conversion in a
batch reactor
 Use Aspen Plus to confirm the analytical solution
2. Prerequisites
 Aspen Plus V8.0
 Basic knowledge of reaction rate laws
3. Background
2-Butene is a four carbon alkene that exists as two geometric isomers: cis-2-butene and trans-2-butene.
The irreversible isomerization reaction with 1st order reaction kinetics is shown below. It is desired to determine
the time required to reach 90% reaction conversion in a batch reactor.
Homogeneous reaction
1st order reaction kinetics
The examples presented are solely intended to illustrate specific concepts and principles. They may not
reflect an industrial application or real situation.
1
4. Solution
Analytic Solution:
∫ ∫
( )
(1 - 0.9) = 10.01 min
Aspen Plus Solution:
4.01. Start Aspen Plus V8.0. Create a new simulation by clicking New on the Start Page. Select the template
by clicking Chemical Processes | Chemicals with Metric Units. Click Create to begin.
4.02. Define components. After creating a new simulation, Aspen Plus should open to the Components |
Specifications form. To define components enter CIS-2-BUTENE and TRANS-2-BUTENE for Component
name and enter CIS and TRANS as Component ID’s. A warning message will appear saying that this
change will cause the parameters to be updated. Click Yes.
2
4.03. Populate the binary interaction parameters. Since a template was chosen to create the simulation, the
property method is already chosen, in this case NRTL. However, since components have been added,
the binary interaction parameters must be populated. Go to Methods | Parameters | Binary
Interaction | NRTL-1.
4.04. We are now ready to create the flowsheet. Move to the simulation environment by clicking the
Simulation button at the bottom left of the screen.
3
4.05. In the simulation environment add an RBatch reactor model to the main flowsheet. Go to the Reactors
tab of the Model Palette, select RBatch and drop it to the flowsheet. Connect two Material streams for
batch charge and reactor product. You can rename the streams and the reactor block by using Ctrl+M.
Note: The RBatch block models a specified reaction using the kinetic data and specified residence time.
However, it is still a steady state model, and so a realization of the model would require many batch
reactors in parallel with staggered start and end times.
4.06. Define Reaction. In the navigation pane go to Reactions | New. Select GENERAL for reaction type. By
default, reaction ID R-1 will be created or you can create a new ID. Click OK.
4.07. Go to Reactions | R-1 and click New. Enter RXN1 as the reaction name. Select CIS for the reactant
component and TRANS for the product component, as well as the reactant and product stoichiometric
coefficients (both 1 in this case). Notice that the coefficient for the reactants automatically becomes
negative. Click Close when complete.
4
4.08. Define reaction kinetics. In Reaction group R-1, go to the Kinetic tab. Enter k = 0.003833 and enter E =
0 (as this is isothermal). Note that the default units for rate constant are inverse seconds.
4.09. Hovering the mouse over an input field will show hover text giving information about it. Clicking into
the field and pressing F1 brings up the Aspen Plus Help page on the topic. Doing this in the field for k
shows the help page about the pre-exponential factor which shows the equation in which it is used.
5
4.10. Next, select the Driving Force button. Enter 1 as the exponent for cis-2-butene. Click Close when
complete.
6
7
4.11. Define reactor feed stream. In the navigation pane go to Streams | CHARGE | Input. Enter 25°C for
Temperature, 1 bar for Pressure, and a Mole-Flow of 1 kmol/hr for component CIS.
Note: If you enter a flow into the composition section, you are not required to enter any additional flow data.
(FAQ) Useful Option To Know: Modeling batch reactors in steady state simulations
Aspen Plus models batch reactors in steady state, so a real -world plant running batch
reactors would need several reactors in parallel with staggered start and end times to approximate
steady state operation.
4.12. Specify reactor conditions. Go to Blocks | RBATCH | Setup. In the Reactor operating specification field
select Constant temperature and enter a temperature of 25°C. Note that this is not a realistic reactor
temperature; however, since our kinetics are not temperature dependent it is acceptable for this
simplified example. Next, enter the reactor operating pressure. You may enter the operating pressure
by entering a pressure greater than zero, or you can specify the pressure drop through the reactor by
entering a number less than or equal to zero. In this case enter 0 for Reactor pressure, which means
that this reactor will not experience any pressure losses and will operate at the given feed pressure of 1
bar.
8
4.13. Choose the reaction set. In the Reactions tab, specify R-1 as the selected reaction set.
4.14. Specify Stop Criteria in order to stop Aspen Plus computation when the conversion reaches a designated
number. In this case, when the mole fraction of trans-2-butene in the reactor reaches 0.9, Aspen Plus
will stop reactor computations and the product stream will represent the composition of the reactor at
this designated stop time. In the Stop Criteria tab, complete the input fields as shown below.
9
4.15. Define Operation Times in order to create result tables and plots. Complete the input fields in the
Operation Times tab as shown below.
4.16. Save your Aspen Plus simulation file (use .bkp format, for example Reactor_Batch_CIStoTRANS.bkp)
4.17. All the input required to run the simulation has been entered. On the Home tab of the ribbon, click the
Control Panel button. It is a good habit to open the control panel before running the simulation.
10
4.18. Run the simulation (F5). The simulation should run to completion with no errors or warnings.
4.19. Check the result table. Go to the Blocks | RBATCH | Profiles | Compositions tab. The computed time at
which the TRANS mole fraction is 0.9 is 10.01 min., which is identical to the analytic solution.
11
You can change the time unit

to minutes
The required reaction time to

reach 90% conversion for component A
12
4.20. Check the result plot. Select Composition Plot in the Ribbon.
4.21. Optional calculation in Aspen Plus

a. Increase the Stop value in the Stop Criteria (as shown in Step 9) so that you can see more results
for a longer time
b. What would happen if you changed the reaction constant k (e.g. k = 0.1 or 0.001 1/s)
c. It would be interesting to simulate the batch reactor behavior when the reaction is complex
with additional reacting components. As we could imagine, an analytic solution won’t be
available if the reaction is complex with multi-components, but we can still simulate it in Aspen
Plus. You just need to add more components and change reaction data. That is sufficient for any
batch reactor simulation.
13
5. Conclusion
Both the analytical solution and stop criteria in Aspen Plus result in a residence time of 10.01 min. for 90%
conversion. The ordinary differential equation (ODE) solution yields an exponential function, and the
composition plot has an exponential shape. Using RBatch allows for more advanced calculations. It will model
complex reaction systems including parallel and series reactions which lead to coupled systems of ODEs.
6. Copyright
Copyright © 2012 by Aspen Technology, Inc. (“AspenTech”). All rights reserved. This work may not be
reproduced or distributed in any form or by any means without the prior written consent of
AspenTech. ASPENTECH MAKES NO WARRANTY OR REPRESENTATION, EITHER EXPRESSED OR IMPLIED, WITH
RESPECT TO THIS WORK and assumes no liability for any errors or omissions. In no event will AspenTech be
liable to you for damages, including any loss of profits, lost savings, or other incidental or consequential
damages arising out of the use of the information contained in, or the digital files supplied with or for use with,
this work. This work and its contents are provided for educational purposes only.
AspenTech®, aspenONE®, and the Aspen leaf logo, are trademarks of Aspen Technology, Inc.. Brands and
product names mentioned in this documentation are trademarks or service marks of their respective companies.
14
PDP-1 Tutorial -2 13/09/2021
Q1) Styrene can be produced by the reactions,

Ethylbenzene  Styrene + H2 (Main reaction)
Ethylbenzene  Benzene + Ethylene (Side reaction)
Ethylbenzene +H2  Toulene + CH4 (Side reaction)
All the reactions take place at 1000 oF and 25 psia. The present market rates per mole of chemical
involved are given: Ethylbenzene = $15.75, Styrene= $21.88, Benzene= $9.04, Toulene = $8.96,
Ethylene = $2.10, Hydrogen = $3.10 and Methane = $3.2. We want to produce 400 mol/hr of
Styrene. If x is the equilibrium conversion of Ethylbenzene to Styrene, distribution of Benzene and
Toulene are given by
Mol. Benzene
 0.333x  0.215x 2  2.547x 3 (1)
Mol. Styrene
Mol. Toluene
 0.084x  0.264x 2  2.638x 3 (2)
Mol. Styrene
A) Develop a flow sheet for the production of Styrene with the equilibrium conversion x equal to
0.2. Is the process is profitable
B) How much is the profit per day for the equilibrium conversion x equal to 0.2?
1. A reaction system consists of the following series and parallel reactions
Select the operating temperature that favors the production of component C.

Use Arrhenius Law (k =k 0 exp(-E/RT)) and the Gas constant R is given as 8.3144621 J K-1mol-1. The
preexponential factor and activation energy for the reactions are tabulated as follows:
Rxtn K 0 (m6/kmol2 s) E(kJ/kmol)
1 7.0 x 10+8 85,800
2 3.6 x 10+6 74,100
3 5.7 x 10+9 94,500
4 0.1 x 10+8 74,400
2. A reaction is considered in a distillation column, in which components A and B are reactants and
the components C and D are products. The relative volatilities (α) of all components with respect
to component D are as follows,
α A/D = 1.5 α B/D = 2.5
α C/D = 1.15 α D/D = 1.0
Based on the above information, complete the figure by filling the component feed and product
streams in the reactive distillation column.
3. Compare Vapor Pressures of Hydrogen, Methane, Ethylene and Ethane in Aspen Plus®
CHE F414 Process Design Principle
Assignment-4
I Semester 2020-21
Submission Date: 09/10/2021 until 8pm
Student: SAHIL D VASISHTHA
ID: 2018B2A10782H
Note: Any help on remote access to ASPEN please contact.
Mr. Pradeep punnam (8125607827 & p20180042@hyderabad.bits-pilani.ac.in)
Mr. Dasika Prabhat sourya(9493129961 & p20190407@hyderabad.bits-pilani.ac.in).
1. Please go through the step by step procedure as attached in the following link and the look
at results summary sheet in page 9
(https://drive.google.com/file/d/1R-Vn3Rtj_2DD-
LDvjjJXRAGro_PuSsNv/view?usp=sharing)
Practice the Flash2 model to find the heat of evaporation.
Task for assignment

Find the heat of evaporation of Benzene and Carbon-Tetrachloride (CCl 4 ).
i) Paste a screen shot of flow sheet. Name the flash blocks with your name (e.g.
Vikranth1, Vikranth2)
ii) Paste a screen shot of the result summary sheet for Benzene and CCl 4
ANS1)
Tabulated results of flash 2:

Assignment-4
I Semester 2020-21
2. Please go through the step by step procedure as attached in the following link and the look
at block results summary sheet in page 10
(https://drive.google.com/file/d/1M1bou-M-
lHm9IBzqtP4YmYYPDvvgGNcr/view?usp=sharing)
Practice the DSTWU model for ordinary distillation.
Task for assignment
Problem Statement: A feed mixture, consisting of 60 mole % ethanol and 40 mole %

water, is to be separated using ordinary distillation column with feed rate of 100 kmol/hr
Assignment-4
I Semester 2020-21
at 40 oC and 1 atm. Aim is to recover 85% of light component and 15 % heavy component
in distillate. Column operates at 1 atm with no pressure drop.
i) Simulate the distillation column using DSTWU model with reflux ratio of 1.5
and total condenser. (make sure that block is renamed with your name).
Paste the summary of results for minimum number of stages, actual stages and
feed tray position.
ii) Generate the table for reflux ratio Vs number of theoretical stages
(Paste the graph of Reflux ration Vs Number of Theoretical stages)
ANS2) Main Flow sheet:
Summary sheet:
Assignment-4
I Semester 2020-21
Balance sheet:
Graph:
Assignment-4
I Semester 2020-21
Values:
Assignment-4
I Semester 2020-21
Assignment-4
I Semester 2020-21
Assignment-4
I Semester 2020-21
Submission Date: 09/10/2021 until 8pm
Note: Any help on remote access to ASPEN please contact.
Mr. Pradeep punnam (8125607827 & p20180042@hyderabad.bits-pilani.ac.in)
Mr. Dasika Prabhat sourya(9493129961 & p20190407@hyderabad.bits-pilani.ac.in).
1. Please go through the step by step procedure as attached in the following link and the look at
results summary sheet in page 9
(https://drive.google.com/file/d/1R-Vn3Rtj_2DD-LDvjjJXRAGro_PuSsNv/view?usp=sharing)
Practice the Flash2 model to find the heat of evaporation.
Task for assignment

Find the heat of evaporation of Benzene and Carbon-Tetrachloride (CCl 4 ).
i) Paste a screen shot of flow sheet. Name the flash blocks with your name (e.g.
Vikranth1, Vikranth2)
ii) Paste a screen shot of the result summary sheet for Benzene and CCl 4
2. Please go through the step by step procedure as attached in the following link and the look at
block results summary sheet in page 10
(https://drive.google.com/file/d/1M1bou-M-lHm9IBzqtP4YmYYPDvvgGNcr/view?usp=sharing)
Practice the DSTWU model for ordinary distillation.
Task for assignment
Problem Statement: A feed mixture, consisting of 60 mole % ethanol and 40 mole % water, is to
be separated using ordinary distillation column with feed rate of 100 kmol/hr at 40 oC and 1 atm.
Aim is to recover 85% of light component and 15 % heavy component in distillate. Column
operates at 1 atm with no pressure drop.
i) Simulate the distillation column using DSTWU model with reflux ratio of 1.5 and
total condenser. (make sure that block is renamed with your name).
Paste the summary of results for minimum number of stages, actual stages and feed
tray position.
ii) Generate the table for reflux ratio Vs number of theoretical stages
(Paste the graph of Reflux ration Vs Number of Theoretical stages)
BITS Pilani
Hyderabad Campus
CHE F314 PROCESS DESIGN PRINCIPLES I

LECTURE 1: THE DESIGN PROCESS
Dr. Vikranth Kumar Surasani
Department of Chemical Engineering

Birla Institute of Technology and Sciences, Pilani Hyderabad Campus
Objectives
On completing this part of the course, you should:
 Be
Be knowledgeable about the kinds of design decisions that challenge
knowledgeable about the kinds of design decisions that challenge
process design teams.
 Have an appreciation of the key steps in carrying out a process
d
design. This course
h is organized to teach how to implement these
d hh l h
steps.
 Be aware of the many kinds of environmental issues and safety
considerations that are prevalent in the design of a new chemical
process.
 Understand
Understand that chemical engineers use a blend of hand
that chemical engineers use a blend of hand
calculations, spreadsheets, computer packages, and process
simulators to design a process.
CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-2

Schedule ‐ The Design Process
• Primitive Design Problems
– Example
• Steps in Designing and Retrofitting Chemical Processes
– Assess Primitive Problem
– Process Creation
– Development of Base Case
– Detailed Process Synthesis ‐ Algorithmic Methods
– Process Controllability Assessment
– Detailed Design, Sizing, Cost Estimation, Optimization
– Construction, Start‐up and Operation
• E i
Environmental Protection
t l P t ti
• Safety Considerations
Ref: Seider, Seader and Lewin (1999), Chapter 1

Primitive Design Problems
• The design or retrofit of chemical processes begins with the
desire to produce profitably chemicals that satisfy societal needs
that arise in the broad spectrum of industries that employ
chemical engineers:
– petrochemicals,
petrochemicals – polymers
– petroleum products – coatings
– industrial gases – electronic materials
– foods – bio chemicals
bio‐chemicals
– pharmaceuticals
 Partly due to the growing awareness of the public, many design
projects involve the redesign, or retrofitting, of existing chemical
processes to solve environmental problems and to adhere to
stricter standards of safety

Origins of Design Problems
• Often, design problems result from the explorations of chemists,

biochemists, and engineers in research labs to satisfy the desires of
customers to obtain chemicals with improved properties for many
applications
• However, several well well‐known
known products, like Teflon (poly‐
(poly
tetrafluoroethylene), were discovered by accident.
• In other cases, an inexpensive source of a raw material(s) becomes
available
available
• Other design problems originate when new markets are discovered,
especially in developing countries
• Yet another source of design projects is the engineer himself, who
often has a strong inclination that a new chemical or route to
produce an existing chemical can be very profitable.
p g yp

Typical Primitive Design Problem
Consider, the need to manufacture vinyl chloride (VC),
H Cl
C
C C
H H
A typical primitive problem statement is as follows:
“An opportunity has arisen to satisfy a new demand for VC monomer

(VCM), on the order of 800 million pounds per year, in a
petrochemical
t h i l complex l on the
th Gulf
G lf Coast,
C t given
i th t an existing
that i ti plant
l t
owned by the company produces one‐billion pounds per year of this
commodity chemical. Since VCM is an extremely toxic substance, it is
recommended that all new facilities be designed carefully to satisfy
governmental health and safety regulations.”

Steps in Process Design and Retrofit
Assess Primitive
Problem
Detailed Process
Detailed Process Plant‐wide
Pl t id
Synthesis ‐ Development of Controllability
Algorithmic Base‐case Assessment
Methods
Detailed Design,
Equipment sizing, Cap.
Cost Estimation,
Profitability Analysis,
Optimization

SECTION A
Assess Primitive
Problem
Detailed Process
Pl t id
Methods
Detailed Design,
Cost Estimation,
Optimization


Assess Primitive Problem
• Process design begins with a primitive design problem that
expresses the current situation and provides an opportunity to
satisfy a societal need.
• Normally, the primitive problem is examined by a small design team,
who begins to assess its possibilities, to refine the problem
statement, and to generate more specific problems:
d f bl
– Raw materials ‐ available in‐house, can be purchased or need to be
manufactured?
– Scale of the process (based upon a preliminary assessment of the
current production, projected market demand, and current and
projected selling prices)
– Location for the plant
• Refined through meetings with engineering technical management,
R fi d h h i ih i i h i l
business and marketing.
• Brainstorming to generate alternatives

Example: VC Manufacture
• To satisfy the need for an additional 800 MMlb/yr of VCM, the
following plausible alternatives might be generated:
Alternative 1. A competitor’s plant, which produces 2 billion lb/yr of
VCM and is located about 100 miles away, might be expanded to
produce the required amount, which would be shipped. In this case, the
design team projects the purchase price and designs storage facilities
design team projects the purchase price and designs storage facilities.
Alternative 2. Purchase and ship, by pipeline from a nearby plant,
chlorine from the electrolysis of NaCl solution. React the chlorine with
ethylene to produce the monomer and HCl as a byproduct.
Alternative 3. Since the existing company produces HCl as a byproduct
in large quantities are produced, HCl is normally available at low prices.
Reactions of HCl with acetylene, or ethylene and oxygen, could produce
1,2‐dichloroethane,
1,2 dichloroethane, an intermediate that can be cracked to produce
an intermediate that can be cracked to produce
vinyl chloride.

Survey Literature Sources
• SRI Design Reports

• Encyclopedias
– Kirk-Othmer Encyclopedia of Chemical Technology (1991)
– Ullman’s Encyclopedia of Industrial Chemistry (1988)
– ...
• Handbooks and Reference Books
– Perry’s
y Chemical Engineers
g Handbook ((1997))
– CRC Handbook of Chemistry and Physics
– ...
• Indexes
– See Technion Library
• P t t
Patents
• Internet
Assess Primitive
Problem
Detailed Process
Pl t id
Methods
SECTION B
Detailed Design,
Cost Estimation,
Optimization


Process Design Principles‐I
Assess Primitive
Problem
Detailed Process
Pl t id
Methods
Detailed Design,
Equipment sizing Cap
Equipment sizing, Cap. SECTION C
Cost Estimation,
Optimization
Process Design Principles‐II

Will be Covered in Process Design Principles‐II in 3/2
Environmental Issues in Design
• Handling of toxic wastes

– 97% of hazardous waste generation by the chemicals and nuclear
i d t iis wastewater
industry t t (1988 d data).
t )
– In process design, it is essential that facilities be included to
remove pollutants from waste-water streams.
• Reaction pathways to reduce by
by-product
product toxicity
– As the reaction operations are determined, the toxicity of all of the
chemicals, especially those recovered as byproducts, needs to be
evaluated.
– Pathways involving large quantities of toxic chemicals should be
replaced by alternatives, except under unusual circumstances.
• Reducing and reusing wastes
– Environmental concerns place even greater emphasis on
recycling, not only for unreacted chemicals, but for product and by-
product chemicals, as well. (i.e., production of segregated wastes -
e.g., production of composite materials and polymers).

Safety Considerations
• Example Disaster 1 – Flixborough: 1st June 1974

http://www.hse.gov.uk/hid/land/comah/level3/5a591f6.htm
– 50 tons of cyclohexane were released from Nypro Nypro’s
s KA plant
(oxidation of cyclohexane) leading to release of vapor cloud and
its detonation. Total loss of plant and death of 28 plant personnel.
– Highly reactive system - conversions low, with large inventory in
plant Process involved six
plant. six, 20 ton stirred-tank
stirred tank reactors.
reactors
– Discharge caused by failure of
temporary pipe installed to
replace cracked reactor.
– The so‐called “dog‐leg” was
not able to contain the
not able to contain the
operating conditions of the
process (10 bar, 150 oC)

Safety Considerations
• Flixborough - What can we learn?

– Develop processes with low inventory, especially of flashing fluids
((“what you
y don’t have,, can’t leak”))
– Before modifying process, carry out a systematic search for possible
cause of problem.
– Carry out HAZOP analysis
– Construct modifications to same standard as original plant.
– Use blast
blast-resistant
resistant control rooms and buildings
T. Kletz, “Learning from Accidents”, 2nd Ed. (1994)

Safety Considerations (Cont’d)
• Example Disaster 2 – Bhopal: 3rd December 1984

http://www.bhopal.com/chrono.htm
– Water leakage into MIC (Methyl isocyanate) storage tank leading
to boiling and release of 25 tons of toxic MIC vapor
vapor, killing more
than 3,800 civilians, and injuring tens of thousands more.
– MIC vapor released because the refrigeration system intended to
cool the storage tank holding 100 tons of MIC had been shut
d
down, th
the scrubber
bb was nott iimmediately
di t l available,
il bl and d th
the flflare
was not in operation.
 Bhopal
Bhopal ‐ What can we learn?
What can we learn?
– Avoid use of hazardous materials. Minimize stocks of hazardous
materials (“what you don’t have, can’t leak”).
– Carry out HAZOP analysis.
– Train operators not to ignore unusual readings.
l d
– Keep protective equipment in working order.
– Control building near major hazards.

Safety Considerations (Cont’d)
• Example Disaster 3 – Challenger: 28th January 1986

http://www.onlineethics.com/moral/boisjoly/RB-intro.html
– An O-ring seal in one of the solid booster rockets failed. A high-
pressure flame plume was deflected onto the external fuel tank
tank,
leading to a massive explosion at 73 sec from lift-off, claiming the
Challenger with its crew.
– The O-ring problem was known several months before the
di
disaster,
t b butt d
down-played
l db
by management, t who
h over-rode d
concerns by engineers.
 Challenger ‐ What can we learn?
– Design for safety.
– Prevent ‘management’ over‐ride
of ‘engineering’ safety
concerns.
concerns
– Carry out HAZOP analysis.

Safety Issues: Fires and Explosions
Flammability Limits of Liquids and Gases
LFL and UFL (vol %) in Air at 25 oC and 1 Atm
Compound LFL (%) UFL (%)

Acetylene 2.5 100
Cyclohexane 1.3 8
Ethylene 2.7 36
G
Gasoline
li 14
1.4 76
7.6
Hydrogen 4.0 75
These limits can be extended for mixtures, and for elevated temperatures
and pressures (see Seider et al, 2003).

Safety Issues: Fires and Explosions
These limits can be extended for mixtures, and for elevated temperatures
and pressures (see Seider et al, 2003).
1 1
LFLmix  C UFLmix  C
 yi   yi 
 
 LFL 
i 1 
   
i  i 1  UFLi 
The flammability limits to elevated temperatures and pressures can be

extended using the following equations
 0.75(T  25)   0.75(T  25) 
LFLT  LFL25 1   UFLT  UFL25 1  
 H c   H c 
and
UFL p  UFL  20.6(log P  1)
With this kind of information, the process designer makes sure that
flammable mixtures do not exist in the process during startup, steady-
state
t t operation,
ti or shut-down.
h td

Design Approaches for Safety
• Techniques to Prevent Fires and Explosions

– Inerting - addition of inert dilutant to reduce the fuel concentration
below the LFL
– Installation of grounding devices and anti-static devices to avoid the
buildup of static electricity
– Use of explosion proof equipment
– Ensure ventilation - install sprinkler systems
• Relief Devices
• Hazard Identification and Risk Assessment
– the plant is carefully scrutinized to identify all sources of accidents
or hazards.
– Hazard and Operability (HAZOP) study is carried out, in which all
off the
th possible
ibl paths
th tot an accident
id t are identified.
id tifi d
– when sufficient probability data are available, a fault tree is created
and the probability of the occurrence for each potential accident
p
computed.

Design Approaches for Safety
https://www.youtube.com/watch?v=VCcN4SQkb9A
https://www.youtube.com/watch?v=C561PCq5E1g
https://www.youtube.com/watch?v 3d37Ca3E4fA
https://www.youtube.com/watch?v=3d37Ca3E4fA

The Design Process - Summary
• Steps in Designing and Retrofitting Chemical Processes

Assess Primitive Problem
Assess
– Primitive
Assess PrimitiveProblem
Problem‐ covered today
covered today
Process Creation ‐
– Process Creation next lecture
– Development of Base Case
– Detailed Process Synthesis - Algorithmic Methods
– Process Controllability Assessment
– Detailed Design, Sizing, Cost Estimation, Optimization
– Construction, Start-up and Operation
• Environmental Protection
– Environmental regulations  design constraints
• Safety Considerations
– Should strive to design
g for “inherentlyy safe plants”
p

BITS Pilani
Hyderabad Campus

LECTURE 2: PROCESS CREATION

Objectives
On completing this part of the course, you should:
 Understand how to go about assembling design data

and creating a preliminary data base.
 Be able to implement
p the steps
p in creating
g flow sheets
involving reactions, separations, and T-P change
operations. In so doing, many alternatives are
identified that can be assembled into a synthesis tree
that contains the most promising alternatives.
 Know how to select the principal pieces of equipment
and to create a detailed process flowsheet, with a
material and energy balance and a list of major
equipment
i t items.
it

Schedule - Process Creation
• Preliminary Database Creation

– to assemble data to support the design.
• Experiments
– often necessary to supply missing database items or verify crucial
data.
• Preliminary Process Synthesis
– top-down approach.
– to generate a “synthesis
synthesis tree”
tree of design alternatives.
alternatives
– illustrated by the synthesis of processes for the manufacture of
VCM and tPA.
• Development of Base-case Design
– focusing on the most promising alternative(s) from the synthesis
tree.
Ref: Seider, Seader and Lewin (1999), Chapter 2

Preliminary Database Creation
• Thermophysical property data

– p
physical
y p
properties
p
– phase equilibria (VLE data)
– Property prediction methods
• Environmental and safety data

– toxicity data
– flammability data
• Chemical Prices
– e.g. as published in the Chemical Marketing Reporter
• Experiments
– to check on crucial items above

Preliminary Process Synthesis
Synthesis of chemical processes involves:

 Selection of processing mode: continuous or batch
 Fixing
Fi i ththe chemical
h i l state
t t off raw materials,
t i l products,
d t and dbby-
products, noting the differences between them.
 Process operations (unit operations) – flow sheet building
blocks
 Synthesis steps -
Eli i t differences
Eliminate diff iin molecular
l l ttypes
Distribute chemicals by matching sources and sinks

Eliminate differences
ff in composition
Eliminate differences in temperature, pressure and phase
Integrate tasks (combine tasks into unit operations)

Continuous or batch processing?
Continuous
B t h
Batch
Fed-batch
Batch-product removal

The Chemical State
• Decide on the raw material and product

specifications (states):
( )
Mass (flow rate)
Composition
p ((mole or mass fraction of each
chemical species having a unique molecular
type)
Phase (solid, liquid, or gas)
Form (e.g., particle-size distribution and
particle shape)
Temperature
Pressure
Process Operations (“Lego”)
• Chemical reaction
– Positioning in the flowsheet involves many considerations
(con ersion rates
(conversion, rates, etc
etc.),
) related to T and P at which
hich the
reaction are carried out.
• Separation of chemicals
– needed to resolve difference between the desired composition
of a product stream and that of its source. Selection of the
appropriate
app op ate method
et od depe
dependsds o
on tthe
eddifferences
e e ces o
of tthe
epphysical
ys ca
properties of the chemical species involved.
• Phase separation
• Change
Ch off ttemperature
t
• Change of pressure
g of p
• Change phase
• Mixing and splitting of streams and branches
Synthesis Steps
S h i S
Synthesis Step Process Operation
 Eliminate differences in
molecular types Chemical reaction
 Distribute chemicals by
matching sources and Mi i
Mixing
sinks
 Eliminate differences in Separation
composition
 Eliminate differences in Temperature pressure and
Temperature,
temperature, pressure and phase change
phase
 Integrate tasks (combine
tasks into unit operations)
Process Creation
Example 1:
Vinyl Chloride Manufacture

Selection of pathway to VCM (1)
 Direct chlorination of ethylene:

C2H4  Cl2  C2H3Cl  HCl (2.1)
(2 1)
Advantages:
– Attractive solution to the specific problem denoted as
Alternative 2 in analysis of primitive problem.
– Occurs spontaneously at a few hundred oC.
Disadvantages:
– Does not give a high yield of VC without simultaneously
producing large amounts of by-products such as
dichloroethylene
y
– Half of the expensive chlorine is consumed to produce HCl by-
product, which may not be sold easily.

 Hydrochlorination of acetylene:
C2H2  HCll  C2H3Cll (2.2)
(2 2)
Advantages:
– This exothermic reaction is a potential solution for the specific
problem denoted as Alternative 3. It provides a good
conversion (98%) of C2H2 VC in the presence of HgCl2 catalyst
impregnated in activated carbon at atmospheric pressure.
– These are fairly moderate reaction conditions, and hence, this
reaction deserves further study.
Disadvantages:
– Flammability limits of C2H2 (2.5 100%)

 Thermal cracking of C2H4Cl2 from chlorination of C2H4:

C2H4  Cl2  C2H4Cl2 (2.3)
C2H4Cl2  C2H3Cl  HCl (2.4)
C2H4  Cl2  C2H3Cl  HCl (2.1)
Ad
Advantages:
t
– Conversion of ethylene to 1,2-dichloroethane in exothermic
reaction (2.3) is 98% at 90 oC and 1 atm with a Friedel-Crafts
catalyst
l such
h as FeCl
F l3. This
h intermediate
d is converted
d to vinyll
chloride by thermal cracking according to the endothermic
reaction (2.4), which occurs spontaneously at 500 oC with
conversions as high
h h as 65%
6 % (Alternative
( l 2).
)
Disadvantage:
– Half of the expensive chlorine is consumed to produce HCl
by-product, which may not be sold easily.

 Thermal Cracking of C2H4Cl2 from Oxychlorination of C2H4:
C2H4  2HCl  21 O2  C2H4Cl2  H2O (2.5)

(2 5)
C2H4Cl2  C2H3Cl  HCl (2.4)
C2H4  HCl  21 O2  C2H3Cl  H2O (2.6)
Advantages:
– Highly exothermic reaction (2.5) achieves a 95% conversion to
C2H4Cl2 in the presence of CuCl2 catalyst,
catalyst followed by pyrolysis
step (2.4) as Reaction Path 3.
– Excellent candidate when cost of HCl is low
– Solution
l i forf specific
ifi problem
bl d
denoted
d as Alternative
l i 3.3
Disadvantages:
– Economics dependent on cost of HCl

 Balanced Process for Chlorination of Ethylene:

C2H4  Cl2  C2H4Cl2 (2.3)
(2 3)
C2H4  2HCl  21 O2  C2H4Cl2  H2O (2.5)
2C2H4Cl2  2C2H3Cl  2HCl (2.4)
2C2H4  Cl2  21O2  2C2H3Cl  H2O (2.7)
Advantages:
– Combination of Reaction Paths 3 and 4 - addresses Alternative 2.
– All Cl2 converted to VC
– No by
by-products!
products!

 Eliminate differences in molecular types
Chemicals participating in VC Manufacture:

Molecular Chemical Chemical
Chemical
h l weight
h f
formula
l structure
Acetylene 26.04 C2H2 H- CC- H
Chlorine 70.91 Cl2 Cl-Cl
Cl Cl
| |
H-C-C-H
1,2-Dichloroethane 98.96 C2H4Cl2 | |
H H
H H
C=C
Ethylene 28.05 C2H4 H H
Hydrogen chloride 36.46 HCl H-Cl

H Cl
C=C
y chloride
Vinyl 62.50 C2H3Cl H H

Evaluation of Alternative Pathways
 Reaction Path  is eliminated due its low selectivity.

 This leaves four alternative paths,
paths to be compared first in
terms of Gross Profit.
Chemical Bulk Prices

Chemical Cost (cents/lb)
Ethylene 18
Acetylene 50
Chlorine 11
Vinyl chloride 22
Hydrogen
y g chloride 18
Water 0
Oxygen (air) 0

Computing Gross Profit
Reaction path  C2H4 + Cl2 = C2H3Cl + HCl

lb-mole 1 1 1 1
M l
Molecular
l weight
i ht 28 05
28.05 70 91
70.91 62 50
62.50 36 46
36.46
lb 28.05 70.91 62.50 36.46
lb/lb of vinyl chloride 0.449 1.134 1 0.583
cents/lb 18 11 22 18
Gross profit = 22(1) + 18(0.583) - 18(0.449) - 11(1.134) = 11.94 cents/lb VC

Reaction Gross Profit
Overall Reaction
Path (cents/lb of VC)
 C2H2 + HCl = C2H3Cl -9.33
 C2H4 +Cl2 = C2H3Cl + HCl 11.94
 C2H4 + HCl + O2 = C2H3Cl + H2O 3.42
 2C2H4 + Cl2 + O2 = 2C2H3Cl + H2O 7.68

Preliminary Flowsheet for Path 
Cl2 HCl
113,400
3, 00 lb/hr
b/ 58,300
, lb/hr
R M
Raw Materials
i l C2H4Cl2 P d
Products
Process Flowsheet?
HCl
C2H4,Direct
Cl2 Pyrolysis C2H3Cl, HCl
Chlorination
C2H3Cl
C2H4Cl2
C2H3Cl
C2H4 C2H4 + Cl2 C2H4Cl2 C2H4Cl2  C2H3Cl + HCl
100,000 lb/hr
44,900 lb/hr
• 800 MM lb/year @ 330 days/y  100,000 lb/hr VC

• On the basis of this p
principal
p sink, the HCl sink and reagent
g
sources can be computed (each flow is 1,600 lbmol/h)
 Next step involves distributing the chemicals by matching
sources and sinks.

 Distribute the chemicals
• A conversion of 100% of the C2H4 is assumed in the chlorination

reaction.

• Only 60% of the C2H4Cl2 is converted to C2H3Cl with a byproduct

of HCl, according to Eqn. (2.4).
• To satisfy the overall material balance, 158,300 lb/h of C2H4Cl must
produce 100,000 lb/h of C2H3Cl and 58,300 lb/h of HCl.
• But a 60% conversion only produces 60,000
60 000 lb/h of VC.
VC
• The additional C2H4Cl2 needed is computed by mass balance to
equal:
[(1 - 0.6)/0.6]
0 6)/0 6] x 158,300
158 300 or 105,500
105 500 lb/h.
lb/h
• Its source is a recycle stream from the separation of C2H3Cl from
unreacted C2H4Cl2, from a mixing operation, inserted to combine
th two
the t sources, to
t give
i a total
t t l 263,800
263 800 lb/h.
lb/h

• The effluent stream from the pyrolysis operation is the source for the
C2H3Cl product, the HCl by-product, and the C2H4Cl2 recycle.

• Reactor pressure levels:

– Chlorination reaction: 1.5
1 5 atm is recommended,
recommended to eliminate the
possibility of an air leak into the reactor containing ethylene.
– Pyrolysis reaction: 26 atm is recommended by the B.F. Goodrich
patent (1963) without any justification. Since the reaction is
irreversible, the elevated pressure does not adversely affect the
conversion. Most likely, the patent recommends this pressure to
reduce the size of the pyrolysis furnace, although the tube walls
must be considerably thicker and many precautions are necessary
for operation at elevated pressures.
– The pressure level is also an important consideration in selecting
the separation
p operations,
p as will be discussed in the next synthesis
y
step.

 Eliminate Differences in Composition
• The product of the chlorination reaction is nearly pure C2H4Cl2,

and requires no purification.
• In
I contrast,
t t theth pyrolysis
l i reactor
t conversion
i isi onlyl 60%,
60% and d one
or more separation operations are required to match the required
purities in the C2H3Cl and HCl sinks.
• O possible
One ibl arrangementt is
i given
i in
i th
the nextt slide.
lid ThThe d
data
t
below explains the design decisions made.
Boiling point (oC) Critical constants
Chemical 1 atm 4.8 atm 12 atm 26 atm Tc,C Pc, atm

HCl -84.8 -51.7 -26.2 0 51.4 82.1
C2H3Cl -13.8 33.1 70.5 110 159 56
C2H4Cl2 83.7 146 193 242 250 50

 Eliminate Differences in Composition
Boiling point (oC) Critical constants
Chemical 1 atm 4.8 atm 12 atm 26 atm Tc,C Pc, atm

HCl -84.8
84 8 -51.7
51 7 -26.2
26 2 0 51 4
51.4 82 1
82.1
C2H 3Cl -13.8 33.1 70.5 110 159 56
C2H 4Cl2 83.7 146 193 242 250 50
There may be other, possibly

l better alternative
l configurations,
as discussed in Lecture 4 (Chapter 5).
 Eliminate differences in T, P and phase

 Integrate tasks (tasks  unit operations)

Assembly of synthesis tree
Reaction Distribution Separations T, P and Task

path of chemicals phase integration
g
changes



Algorithmic methods are very effective for the synthesis,
analysis and
 optimization of alternative flowsheets. These
will be covered in Section B ((Part II))

Development of Base-case Design
Develop one or two of the more promising flowsheets from the

synthesis tree for more detailed consideration.

BITS Pilani
Hyderabad Campus

LECTURE 2: HEURISTICS FOR PROCESS SYNTHESIS
Introduction
 Recalling the process operations in process synthesis:

 Chemical reaction (to eliminate differences in molecular type)
 Mixing and recycle (to distribute the chemicals)
 Separation (to eliminate differences in composition)
 Temperature, pressure and phase change
 Task integration (to combine tasks into unit operations)
 This lecture deals with the heuristic rules that expedite
the selection and positioning of processing operations as
flowsheets are assembled.
 These rules are based on experience and hold in general,
but should be tested (e.g., by simulation) to ensure that
they apply in the specific application.
 Later, in Section B, we will see how algorithmic methods
are used to improve on design decisions.

Instructional Objectives
When you have finished studying this unit, you should:

• Understand the importance of selecting reaction paths that do not
involve toxic or hazardous chemicals, and when unavoidable, to
reduce their presence by shortening residence times in the process
units and avoiding their storage in large quantities.
• Be able to distribute the chemicals in a process flowsheet, to account
for the presence of inert species, to purge species that would
otherwise build up to unacceptable concentrations, to achieve a high
selectivity to the desired products.
• Be able to apply heuristics in selecting separation processes to
separate liquids, vapors, and vapor-liquid mixtures.
• Be able to distribute the chemicals, by using excess reactants, inert
diluents, and cold shots, to remove the exothermic heats of reaction.
• Understand the advantages of pumping a liquid rather than
compressing a vapor.

Raw Materials and Chemical Reactions
Heuristic 1: Select raw materials and chemical reactions to

avoid, or reduce, the handling and storage of
hazardous and toxic chemicals.
Example: Manufacture of Ethylene Glycol (EG).
O
1
C2H4 + -2 O2 → CH2 - CH2 (R.1)
O OH OH
CH2 - CH2 + H2O → CH2 - CH2 (R.2)
Since both reactions are highly exothermic, they need to be
controlled carefully. But a water spill into an ethylene-oxide storage
tank could lead to an accident similar to the Bhopal incident. Often
such processes are designed with two reaction steps, with storage of
the intermediate, to enable continuous production, even when
maintenance problems shut down the first reaction operation.

Alternatives to the two-step EG process
 Use chlorine and caustic in a single reaction step, to avoid

the intermediate:
OH OH
CH2=CH2 + Cl2 + 2NaOH(aq) → CH2CH2 + 2NaCl (R.3)
 As ethylene-oxide is formed, react it with carbon dioxide

to form ethylene-carbonate, a much less active
intermediate that can be stored safely and hydrolyzed,
to form the ethylene-glycol product, as needed:
O
O C
CH2 - CH2 + CO2 → O O (R.4)
CH2 CH2

Distribution of Chemicals
Heuristic 2: Use an excess of one chemical reactant in a

reaction operation to completely consume a
second valuable, toxic, or hazardous chemical
reactant.
Example: Consider using excess ethylene in DCE production

Distribution of Chemicals (Cont’d)
Heuristic 3:  When nearly pure products are required,

eliminate inert species before the reaction
operations, when the separations are easily
accomplished, or when the catalyst is
adversely affected by the inert
 Do not do this when a large exothermic
heat of reaction must be removed.
Example:

Need to decide whether

to remove inerts before
reaction...
… or after reaction...
Clearly, the ease and cost of the separations must be assessed.

This can be accomplished by examining the physical properties upon
which the separations are based, and implies the use of simulation

Heuristic 4: Introduce liquid or vapor purge streams to

provide exits for species that
– enter the process as impurities in the feed
– produced by irreversible side-reactions
when these species are in trace quantities
and/or are difficult to separate from the
other chemicals.
Example: NH3 Synthesis Loop.
Note: Purge flow rate selection depends on economics!

Heuristic 5: Do not purge valuable species or species that

are toxic and hazardous, even in small
concentrations.
– Add separators to recover valuable species.
– Add reactors to eliminate toxic and hazardous
species.
Example: Catalytic converter in car exhaust system.

Heuristic 6: By-products that are produced in reversible

reactions, in small quantities, are usually not
recovered in separators or purged. Instead,
they are usually recycled to extinction.
Often small quantities of chemicals are produced in side-

reactions. When the reaction proceeds irreversibly, small
quantities of by-products must be purged, otherwise they
will buildup in the process continuously until the process
must be shut down. When, however, the reaction proceeds
reversibly, it becomes possible to achieve an equilibrium
conversion at steady state by recycling product species
without removing them from the process. In so doing, it is
often said that undesired byproducts are recycled to
extinction.

Heuristic 7: For competing series or parallel reactions,

adjust the temperature, pressure, and catalyst
to obtain high yields of the desired products.
In the initial distribution of chemicals, assume
that these conditions can be satisfied - obtain
kinetics data and check this assumption before
developing a base-case design.
Example: Manufacture of allyl-chloride.

Allyl Chloride Manufacture (Cont’d)
Example: Manufacture of allyl-chloride.
Kinetic data
∆HR ko
Reaction 3 2
E/R (oR)
Btu/lbmole lbmole/(hr ft atm )
1 -4,800 206,000 13,600
2 -79,200 11.7 3,430
3 -91,800 4.6 x 108 21,300

Allyl Chloride Manufacture (Cont’d)
9.60E-04
9.70E-04
9.80E-04
9.90E-04
1.00E-03
1.02E-03
1.01E-03
-0.4
-0.8
ln(k)
-1.2
ln(k1)
-1.6 ln(k2)
1/T (980<T<1042 deg R) ln(k3)
What range of operating temperatures favor

production of Allyl Chloride ?

Heuristic 8: For reversible reactions, especially, consider

conducting them in a separation device capable
of removing the products, and hence, driving
the reactions to the right. Such reaction-
separation operations lead to very different
distributions of chemicals.
Example Manufacture of Ethyl-acetate using reactive
: distillation.
Conventionally, this would call for reaction:
→
MeOH + HOAc ← MeOAc + H2O,
followed by separation of products using a
sequence of separation towers.

MeOAc Manufacture using Reactive Distillation
MeOAc
HOAc
Reaction
zone
MeOH
H2O
→
MeOH + HOAc ← MeOAc + H2O

Separations
Heuristic 9: Separate liquid mixtures using distillation and

stripping towers, and liquid-liquid extractors,
among similar operations.
Ref: Douglas (1988)
Select from
distillation, enhanced
distillation, stripping
towers, liquid-liquid
extraction, etc.

Separations (Cont’d)
Heuristic 10: Attempt to condense vapor mixtures with

cooling water. Then, use Heuristic 9.
Ref: Douglas (1988) Select from partial

condensation,
cryogenic distillation,
absorption, adsorption,
membrane separation,
etc.
Select from
distillation, enhanced
distillation, stripping
towers, liquid-liquid
extraction, etc.
Attempt to cool
reactor products
using cooling water

Separations (Cont’d)
Heuristic 11: Separate vapor mixtures using partial

condensers, cryogenic distillation, absorption
towers, adsorbers, and/or membrane devices.
Ref: Douglas (1988)
Combination of the
previous two flowsheets

Heat Transfer in Reactors
Although heat transfer in reactors is better discussed in the

context of heat and power integration (see Lectures 6- 8), it
is treated here because many methods dealing with heat
transfer in reactors also affect the distribution of chemicals.
Treated first are exothermic reactors.
Heuristic 12: To remove a highly-exothermic heat of

reaction, consider the use of excess reactant,
an inert diluent, and cold shots. These affect
the distribution of chemicals and should be
inserted early in process synthesis.
Heuristic 13: For less exothermic heats of reaction,
circulate reactor fluid to an external cooler,
or use a jacketed vessel or cooling coils. Also,
consider the use of intercoolers.

Heat Transfer in Reactors (Cont’d)
Heuristic 12: To remove a highly-exothermic heat of reaction,

consider the use of…
excess reactant
an inert diluent
cold shots.

Heuristic 13: For less exothermic heats of reaction,

circulate reactor fluid to an external cooler,
or use a jacketed vessel or cooling coils. Also,
consider the use of intercoolers.

Example: TVA design for NH3 synthesis converters

Endothermic reactors are treated similarly:
Heuristic 14: To control temperature for a highly-

endothermic heat of reaction, consider the use
of excess reactant an inert diluent, and hot
shots. These affect the distribution of
chemicals and should be inserted early in
process synthesis.
Heuristic 15: For less endothermic heats of reaction,

circulate reactor fluid to an external heater,
or use a jacketed vessel or heating coils. Also,
consider the use of interheaters.

Pumping and Compression
Heuristic 16: To increase the pressure of a stream, pump a

liquid rather than compress a gas; that is,
condense a vapor, as long as refrigeration (and
compression) is not needed, before pumping.
Since work done by pumping or compressions is given by:
 = ∫ P2VdP
W P 1
It follows that it is more

efficient to pump a liquid than
to compress a gas. Thus, it is
almost always preferable to
condense a vapor, pump it, and
vaporize it, rather than
compress it.
Exception: if condensation
requires refrigeration.

Process Design Heuristics - Summary
We have covered 16 design heuristics, enabling you to:

• Understand the importance of selecting reaction paths that do not
involve toxic or hazardous chemicals, or to reduce their presence by
shortening residence times in the process units and avoiding their
storage in large quantities.
• Be able to distribute the chemicals in a process flowsheet, to account
for the presence of inert species, to purge species that would
otherwise build up to unacceptable concentrations, to achieve a high
selectivity to the desired products.
• Be able to apply heuristics in selecting separation processes to
separate liquids, vapors, and vapor-liquid mixtures.
• Be able to distribute the chemicals to remove exothermic heats of
reaction.
• Understand the advantages of pumping a liquid rather than
compressing a vapor.
Next week: Separation Train Synthesis

Example 1:
To satisfy the Clean Air Act of 1990, gasoline
must have a minimum oxygen atom content of
2.0 mole%. The most common source of this
oxygen is methyl-tertiary-butyl-ether (MTBE)
which is manufactured by the reaction:
CH3OH + Iso-butene  MTBE

It is desired to construct a MTBE plant
at your refinery, located on the Gulf Coast
of Texas. Methanol will be purchased and
iso-butene is available in a mixed-C4
stream that contains: Wt. %
1-butene 27
iso-butene 26
1,3 butadiene 47
CH3OH + Iso-butene  MTBE

250
Butadiene
Iso-butene
1-Butene
MTBe
200
Vapor Pressure
150
100
50
0
0 20 40 60 80 100 120 140 160 180 200
Temp F
α = P s / PMTBE
s
α
1-butene 5.13
1,3-butadiene 4.96
iso-butene 4.04
 1,3-butadiene & 1-butene, can be separated by
distillation before or after the reaction
operation.
 Other considerations, such as their impact on
the catalyst, the volumes of the reactors
and distillation towers, and the temperature
levels in the exothermic reactors should be
evaluated in making this decision.

Example 2:
Positioning an Equilibrium Reaction Operation
Consider the reaction and distillation
operations for the isomerization of n-butane
to isobutane according to the reaction:
n − C4 H10 ⇔ i − C4 H10
The feed to the process is a refinery stream
which contains 20 mole%iso-butane.
Show the alternatives for positioning the

reaction and distillation operations.

iC4
A
80 mol% nC4
20 mol% iC4
n − C4 H10 ⇔ i − C4 H10
iC4
B
80 mol% nC4
20 mol% iC4
n − C4 H10 ⇔ i − C4 H10

Example 3:
Feed Preparation of Ethylbenzene
Ethylbenzene is to be taken from storage at 25 °C and 1 atm and
fed to a styrene reactor at 400°C and 5 atm at 100,000 lb/h.
 Show two alternatives for positioning the temperature

and pressure-increase operations.
30/08/2014
054402 Design & Analysis II 33
Example 4:
Show two alternatives to go from
point A to point B , Which one is
less expensive ?
B
H
Option 1
A C D
H
Option 2
E
B
H
BITS Pilani
Hyderabad Campus
CHE F 314: PROCESS DESIGN PRINCIPLES-1

Lecture 5: SEQUENCING OF SEPARATION TRAINS
CHE F 314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-1
Assess Primitive
Problem
Detailed Process Plant-wide

Synthesis - Development Controllability
Algorithmic of Base-case Assessment
Methods
SECTION B
Detailed Design,
Cost Estimation,
Optimization


Algorithmic Methods

Introduction
 Almost all chemical processes require the separation of

chemical species (components), to:
 purify a reactor feed
 recover unreacted species for recycle to a reactor
 separate and purify the products from a reactor
 Frequently, the major investment and operating costs of
a process will be those costs associated with the
separation equipment
 For a binary mixture, it may be possible to select a
separation method that can accomplish the separation
task in just one piece of equipment. However, more
commonly, the feed mixture involves more than two
components, involving more complex separation
systems

Instructional Objectives
When you have finished studying this unit, you should:
 Be familiar with the more widely used industrial separation

methods and their basis for separation.
 Understand the concept of the separation factor and be able
to select appropriate separation methods for liquid mixtures.
 Understand how distillation columns are sequenced and how
to apply heuristics to narrow the search for a near-optimal
sequence.
 Be able to apply systematic methods to determine an optimal
sequence of distillation-type separations..

Feed Separation System

Phase Separation System

Process Flow sheet :
Reactor and Separation System

Example 1. Specification for Butenes Recovery
Catalytic dehydrogenation of n-butane
Hendry and Hughes 1972

Design for Butenes Recovery System
100-tray column
C3 & 1-Butene in
distillate
Propane and
1-Butene recovery
Pentane
withdrawn as n-C4 and 2-C4=s
bottoms cannot be
separated by
ordinary
distillation
(=1.03), so 96%
2-C4=s withdrawn as furfural is added
distillate. Furfural is as an extractive
recovered as agent (  1.17).
bottoms and recycled n-C4 withdrawn as
to C-4 distillate.

Separation is Energy Intensive
 Unlike the spontaneous mixing of chemical species, the

separation of a mixture of chemicals requires an expenditure of
some form of energy
 Separation of a feed mixture into streams of differing
chemical composition is achieved by forcing the different
species into different spatial locations, by one or a
combination of four common industrial techniques:
 the creation by heat transfer, shaft work, or pressure
reduction of a second phase that is immiscible with the feed
phase (ESA – energy separating agent)
 the introduction into the system of a second fluid phase
(MSA – mass separating agent). This must be subsequently
removed.
 the addition of a solid phase upon which adsorption can
occur
 the placement of a membrane barrier

Common Industrial Separation Methods
Separation Phase of Separation Developed or Separation

Method the feed agent added phase principle
Equilibrium L and/or V Pressure V or L difference
reduction or
flash heat transfer
in volatility
Distillation L and/or V Heat transfer V or L difference

or shaft work
in volatility
Gas V Liquid L difference
absorbent
Absorption in volatility
Stripping L Vapor stripping V difference
agent
in volatility
Extractive L and/or V Liquid solvent V and L difference
and heat
Distillation transfer
in volatility
Azeotropic L and/or V Liquid V and L difference

entrainer and
Distillation heat transfer
in volatility

Common Industrial Sep.Methods (Cont’d)
Separation Phase of Separation Developed Separation

Method the feed agent or added principle
phase
Liquid-liquid L Liquid Second Difference in
Extraction solvent liquid solubility
Crystalli- L Heat Solid Difference in

zation transfer solubility or
m.p.
Gas V Solid Solid difference in
adsorption adsorbent adsorbabililty
Liquid L Solid Solid difference in

adsorption adsorbent adsorbabililty
Membranes L or V Membrane Membrane difference in

permeability
and/or
solubility

Common Industrial Sep.Methods (Cont’d)
Separation Phase of Separation Developed Separation

Method the feed agent or added principle
phase
Supercritical L or V Supercritical Supercritical Difference
extraction solvent fluid in solubility
Leaching S Liquid L Difference
solvent in solubility
Drying S and L Heat V Difference
transfer in volatility

Selecting Separation Method (1)
 The development of a separation process requires the selection

of:
 Separation methods
 ESAs and/or MSAs
 Separation equipment
 Optimal arrangement or sequencing of the equipment
 Optimal operating temperature and pressure for the equipment
 Selection of separation method largely depends of feed
condition –
 Vapor: partial condensation, distillation, absorption, adsorption, gas
permeation (membranes)
 Liquid: distillation, stripping, LL extraction, supercritical extraction,
crystallization, adsorption, and dialysis or reverse osmosis
(membranes)
 Solid: if wet  drying, if dry leaching

 The separation factor, SF, defines the degree of separation

achievable between two key components of the feed. This
factor, for the separation of component 1 from component 2
between phases I and II, for a single stage of contacting, is
defined as:
C = composition variable,
C 1I / C 2I
SF  I, II = phases rich in (5.1)
C 1II / C 2II components 1 and 2.
 SF is generally limited by thermodynamic equilibrium. For

example, in the case of distillation, using mole fractions as
the composition variable and letting phase I be the vapor
and phase II be the liquid, the limiting value of SF is given
in terms of vapor-liquid equilibrium ratios (K-values) as:
y1 / x1 K1  P1 s 
SF    1,2   s for ideal L and V  (5.2)
y 2 / x 2 K2  P2 
Ideal or Raoult’s law
Partial condensation/evaporation; distil.
 For the components form moderately non-ideal liquid

solutions (hydrocarbon mixture or homologous series of
other componds) and/or pressures are elevated, an
equation-of-state, such as Soave-Redlich-Kwong or Peng-
Robinson may be used for estimation of SF and expressed
as
1 / 1 L V
(5.3)
SF  L V  1, 2
2 / 2
where i is the mixture fugacity coefficient of
component i

 For vapor-liquid separation operations that use an MSA that

causes the formation of a non-ideal liquid solution (e.g.
azeotropic and extractive distillation):
1LP1 s
SF  1,2  L s (5.4)
2P2
Activity coefficient of component i is estimated from Wilson, NRTL,
UniQUAC, or UNIFAC
 If the MSA is used to create two liquid phases, such as in
liquid-liquid extraction, the SF is referred to as the
relative selectivity, b , where:
1II / 2II (5.5)
SF  b1,2  I
1 / 2I
 In general, MSAs for extractive distillation and liquid-liquid
extraction are selected according to their ease of recovery
for recycle and to achieve relatively large values of SF.

Sequencing of Ordinary Distillation Columns
Use a sequence of ordinary distillation (OD) columns to

separate a multicomponent mixture provided:
  in each column is > 1.05.
 The reboiler duty is not excessive.
 The tower pressure does not cause the mixture to approach
the TC of the mixture.
 Column pressure drop is tolerable, particularly if operation is
under vacuum.
 The overhead vapor can be at least partially condensed at the
column pressure to provide reflux without excessive
refrigeration requirements.
 The bottoms temperature for the tower pressure is not so high
that chemical decomposition occurs.
 Azeotropes do not prevent the desired separation.

Number of Sequences for Ordinary Distillation
Equation for number of different sequences of P  1 ordinary

distillation (OD) columns, NS, to produce P products:
[2(P  1)]!
Ns  (5.7)
P ! (P  1)!
P # of Separators Ns
2 1 1
3 2 2
4 3 5
5 4 14
6 5 42
7 6 132
8 7 429

Example 2 – Sequences for 4-component separation

Example 2 – Sequences for 4-component separation

Identifying the Best Sequences using Heuristics
The following guidelines are often used to reduce the number

of OD sequences that need to be studied in detail:
 Remove thermally unstable, corrosive, or chemically reactive

components early in the sequence.
 Remove final products one-by-one as distillates (the direct sequence).
 Sequence separation points to remove, early in the sequence, those
components of greatest molar percentage in the feed.
 Sequence separation points in the order of decreasing relative
volatility so that the most difficult splits are made in the absence of
other components.
 Sequence separation points to leave last those separations that give
the highest purity products.
 Sequence separation points that favor near equimolar amounts of
distillate and bottoms in each column. The reboiler duty is not
excessive.

Class Exercise
Design a sequence of
ordinary distillation
columns to meet the
given specifications.

Class Exercise – Possible Solution
Guided by Heuristic 4,
the first column in
position to separate the
key components with the
greatest SF.
26
Relative volatilities for equal cost separators
Ref: Souders (1964)

Separation Trains - Summary
On completing this unit, you should:
 Be familiar with the more widely used industrial separation

methods and their basis for separation.
 Understand the concept of the separation factor and be able
to select appropriate separation methods for liquid mixtures.
 Understand how distillation columns are sequenced and how
to apply heuristics to narrow the search for a near-optimal
sequence.
 Be able to apply systematic B&B methods to determine an
optimal sequence of distillation-type separations..

CHE F314 Process Design Principles-I
Class Quiz-1
1 Write two main differences between a Commodity chemical and a Specialty chemical?
2 Explain the Henry’s law and write a mathematical form?
3. The evaporation of aqueous solution of sugar causes its molarity to

A. decrease B. increase
B. remain unchanged D. either (a) or (b); depends on the concentration of the solution
4 One mole of methane undergoes complete combustion in a stoichiometric amount of air. The reaction proceeds as
CH4+ 2O2→ CO2+ 2H2O. Both the reactants and products are in gas phase. ΔH°298 = - 730 kJ/mole of methane.
Mole fraction of water vapor in the product gases is about
A. 0.19 B. 0.33
C. 0.44 D. 0.67
5. In osmosis through a semi-permeable membrane, diffusion of the
A. solvent is from low concentration to high concentration region.
B. solvent is from high concentration to low concentration region.
C. solute takes place.
D. none of these.
6. Internal energy of a substance comprises of the __________ energy.

A. vibrational B. rotational
C. translational D. all (a), (b) & (c)
7. The molar composition of a gas is 10% H2, 10% O2, 30% CO2 and balance H2O. If 50% H2O condenses, the
final mole percent of H2 in the gas on a dry basis will be
A. 10% B. 5%
C. 18.18% D. 20%
8. Which of the following is the most suitable for extraction in a system having very low density difference?
A. Mixer-settler extractor B. Centrifugal extractor
C. Pulsed extractor D. Packed extraction tower
9. Raoult's law applies to the

A. all liquid solutions B. non-ideal solution only.
C. non-volatile solute. D. solvents.
10. Operating principle of cyclone separator is based on the action of __________ dust particles.
A. diffusion of B. centrifugal force on
C. gravitational force on D. electrostatic force on
11. Laminar flow of a Newtonian fluid ceases to exist, when the Reynolds number exceeds
A. 4000 B. 2100
C. 1500 D. 3000
12. The fluid property, due to which, mercury does not wet the glass is
A. surface tension B. viscosity
C. cohesion D. adhesion
13. Pick out the wrong statement.

A. Momentum transfer in laminar flow results from velocity gradient.
B. A fluid in equilibrium is not free from shear stress.
C. The viscosity of a non-Newtonian fluid is a function of temperature only.
D. both (b) and (c)
CHE F314 Process Design Principles-I
Class Quiz-1
14. Erosion and pits formation on the impeller of a centrifugal pump may be due to
A. cavitation. B. low speed of impeller.
C. its operation with delivery valve closed for considerable time after starting the pump.
D. off centering of pump with motor.
15. In a stabilized soap bubble, pressure inside it compared to external pressure is

A. more B. less
C. same D. unpredictable
16. The gasification reaction represented by, C + H2O = CO + H2, is a/an __________ reaction.
A. exothermic B. endothermic
C. catalytic D. autocatalytic
17. Short distance transportation of grain, gravel, sand, ash, asphalt etc. is done by using a __________ conveyor.
A. flight B. slat or drag
C. ribbon D. screw
18. If dp is the equivalent diameter of a non-spherical particle, Vp its volume and sp its surface area, then its
sphericity is Φs is defined by
A. Φs = 6 Vp/dp sp B. Φs = Vp/dp sp
C. Φs = 6 dp Sp/Vp D. Φs = dp Sp/Vp
19. Two particles are called to be equal settling, if they are having the same.
A. size. B. specific gravity.
C. terminal velocities in the same fluid & in the same field of force.
D. none of these.
20. Presence of __________ in a dry gaseous fuel does not contribute to its calorific value.
A. sulphur B. oxygen
C. hydrogen D. carbon
21 When incomplete combustion loss is high, the flue gas analysis shows large amount of
A. CO2 B. CO
C. O2 D. C
22. Entropy is a measure of the __________ of a system.

A. disorder B. orderly behavior
C. temperature changes only D. none of these
23. Equilibrium constant decreases as the temperature

A. increases, for an exothermic reaction. B. decreases, for an exothermic reaction.
C. increases, for an endothermic reaction. D. none of these.
24. No work is done by the system, when a reaction occurs at constant
A. volume B. temperature
C. pressure D. none of these
25. Consider the following statements:
In a shell and tube heat exchanger, baffles are provided on the shell side to
1. prevent the stagnation of the shell side fluid
2. improve heat transfer
3. provide support for tubes
4. prevent fouling of tubes
Of these statements
(a) 1,2, 3 and 4 are correct (b) 1 and 2 is incorrect
(c) 1,2 and 3 is correct (d) 1 and 4 is correct
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NAME: SAHIL DEEPAK VASISHTHA
ID: 2018B2A10782H
PDP Assignment 2
1. A reaction system consists of the following series and parallel reactions
Select the operating temperature that favors the production of component C.
Use Arrhenius Law (k =k 0 exp(-E/RT)) and the Gas constant R is given as

8.3144621 J K-1mol-1. The pre exponential factor and activation energy for the
reactions are tabulated as follows:
Rxtn K 0 (m6/kmol2 E(kJ/kmol)
s)
1 7.0 x 10+8 85,800
2 3.6 x 10+6 74,100
3 5.7 x 10+9 94,500
4 0.1 x 10+8 74,400
Ans1)
 I have used a temperature range of 0K to 1000K.

 The red line (LnK 1 ) is above the other 3 and hence indicates the favor of
the reaction in this case, i.e. A+B->C+D.
 After plotting the graph, at these intersection points, the inverse of ‘X’ at
those points, will give us the required temperature range which favors the
formation/production of the ‘C’ component.
 After I calculated the X-inverse values, I got an approximate temperature
range of: 325.0024K to 500.99K. It is in this given range that the reaction
with ‘K 1 ’ is favored.
2. A reaction is considered in a distillation column, in which components A and

B are reactants and the components C and D are products. The relative
volatilities (α) of all components with respect to component D are as follows,
α A/D = 1.5 α B/D = 2.5
α C/D = 1.15 α D/D = 1.0
Based on the above information, complete the figure by filling the component
feed and product streams in the reactive distillation column.
C
D
Ans2)
3. Compare Vapor Pressures of Hydrogen, Methane, Ethylene and Ethane in
Aspen Plus®
Ans.
CHE F314 -- PDP-1 Tutorial Test-1 06/09/2021
1) In organic chemical processes it is common for sizable flammable chemicals to accumulate in air
or oxygen with the possibility of ignition or even explosion. The flammability limits for many of the
organic vapors at 25oC and 1 atm are found experimentally for the pure substances.
If the solution containing Methyl alcohol, Methyl acetate and Methyl chloride, what are the
upper flammability limit(UFL) and lower flammability limit(LFL) of vapor in the air?. (2 points)
Flammability limits of pure components are as follows
Compound LFL (%) UFL (%) Composition(yi)
Methyl alcohol 6 36 0.10
Methyl Acetate 3.1 16 0.30
Methyl Chloride 8.1 17.4 0.40

CHE F314 -- PDP-1 Tutorial Test-1 06/09/2021
2) A petrochemical complex decided to go ahead with the Vinyl Chloride Monomer (VCM)
manufacturing based on “Thermal Cracking of Dichloroethane from Oxychlorination of Ethylene”.
Production of 100 Kmol/hr VCM is a two step procedure as given below,
C 2 H 4  2HCl  0.5O 2  C 2 H 4 Cl 2  H 2 O Oxychlorination

C 2 H 4 Cl 2  C 2 H 3Cl  HCl Thermal Cracking (Pyrolysis)
____________________________________________________
C 2 H 4  HCl  0.5O 2  C 2 H 3Cl  H 2 O (Overall)
95 % conversion of C2H4 to produce C2H4Cl2 in oxychlorination reaction, and the 65% conversion of
C2H4Cl2 to produce vinyl chloride.
Develop a block flow sheet till the distribution of chemicals with all recycling streams for this
reaction mechanism, and indicate molar flow rates of each component? (6 points)
CHE F314 PDP-1 Tutorial-1 08/09/2021
1) The mixture containing Methyl alcohol, Methyl acetate and Methyl chloride, what are the upper
flammability limit(UFL) and lower flammability limit(LFL) of vapor mixture in the air?.
Flammability limits of pure components are as follows. (2 M)
Compound LFL (%) UFL (%) Composition (%)
Methyl alcohol 6 36 30
Methyl Acetate 3.1 16 10
Methyl Chloride 8.1 17.4 15
Ethyl alcohol 10 40 25
2) For the production of chemical D, a two stage reaction network as shown in the figure needs
further development for process synthesis. Conversion of A in reactor-1 is 70 %, and the
conversion of C in reactor-2 is 80%. The Selectivity of C towards the formation of E is 10%.
Develop flow sheet that represents distribution of chemicals with molar flow rates? (6 M)
PDP-1 Tutorial -2 13/09/2021
Q1) Styrene can be produced by the reactions,

Ethylbenzene  Styrene + H2 (Main reaction)
Ethylbenzene  Benzene + Ethylene (Side reaction)
Ethylbenzene +H2  Toulene + CH4 (Side reaction)
All the reactions take place at 1000 oF and 25 psia. The present market rates per mole of chemical
involved are given: Ethylbenzene = $15.75, Styrene= $21.88, Benzene= $9.04, Toulene = $8.96,
Ethylene = $2.10, Hydrogen = $3.10 and Methane = $3.2. We want to produce 400 mol/hr of
Styrene. If x is the equilibrium conversion of Ethylbenzene to Styrene, distribution of Benzene and
Toulene are given by
Mol. Benzene
 0.333x  0.215x 2  2.547x 3 (1)
Mol. Styrene
Mol. Toluene
 0.084x  0.264x 2  2.638x 3 (2)
Mol. Styrene
A) Develop a flow sheet for the production of Styrene with the equilibrium conversion x equal to
0.2. Is the process is profitable
B) How much is the profit per day for the equilibrium conversion x equal to 0.2?
Tutorial- PDP-1 on Ideal reactors
1) The reaction A+BP with kinetic rates
–rA=500 CA CB is carried in tubular reactor (V = 0.1 L and V  0.05 L/min and CA,in=
CB,in=0.01 mole/L, What is the fractional conversion of reactant A?
2) Determine the activation energy and frequency factor from the following data
K .001 0.05
min-1
T (K) 273 373
3) A reaction A+2B C+D is a liquid phase with k = 0.0017 m3/(kmol min) at 188 oC with E=
11273 cal/mol. Initial entering concentrations are C Ain = 1.8 kmol/m3 and CBin = 6.6 kmol/m3
a) For elementary reaction, write the rate law –rA as the function of conversion
b) What is the initial rate at X=0
at 188 oC –rA =________
at 300 oC –rA =________
c) What is the rate at X=0.9
at 188 oC –rA =________
at 300 oC –rA =________
d) What would be the CSTR and PFR volumes for 90% conversion of A with V   2 L / min
4)

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Revised: Nov 9, 2012

Get Started Guide for New Users of Aspen Plus® V8.0

 Learn to create a new Aspen Plus simulation

 Aspen Plus V8.0

 How to launch Aspen Plus UI

4. Aspen Plus Solution

4.21. The flowsheet will look like the screenshot below.

4.37. Add a stream coming from the top of the column.

4.39. The flowsheet will look like the screenshot below.

4.44. The flowsheet will look like the screenshot below.

Isomerization in a batch reactor with Aspen Plus® V8.0

1st order reaction kinetics

(1 - 0.9) = 10.01 min

Aspen Plus Solution:

You can change the time unit

The required reaction time to

4.21. Optional calculation in Aspen Plus

Q1) Styrene can be produced by the reactions,

Select the operating temperature that favors the production of component C.

Task for assignment

Tabulated results of flash 2:

Practice the DSTWU model for ordinary distillation.

Task for assignment

Problem Statement: A feed mixture, consisting of 60 mole % ethanol and 40 mole %

ANS2) Main Flow sheet:

Task for assignment

Practice the DSTWU model for ordinary distillation.

Task for assignment

CHE F314 PROCESS DESIGN PRINCIPLES I

Dr. Vikranth Kumar Surasani

Department of Chemical Engineering

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-2

Ref: Seider, Seader and Lewin (1999), Chapter 1

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-3

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-4

• Often, design problems result from the explorations of chemists,

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-5

A typical primitive problem statement is as follows:

“An opportunity has arisen to satisfy a new demand for VC monomer

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-6

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-7

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-8

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-9

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-10

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-11

• SRI Design Reports

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-13

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-14

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-15

• Handling of toxic wastes

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-17

• Example Disaster 1 – Flixborough: 1st June 1974

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-18

• Flixborough - What can we learn?

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-19

• Example Disaster 2 – Bhopal: 3rd December 1984

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-20

• Example Disaster 3 – Challenger: 28th January 1986

CHE F314 Process Design Principles-1, BITS, Pilani-Hyderabad Campus P-21