Learn Aspen Plus in 24 Hours 2e

A Modular Approach to Teaching Process Simulation

Mario Eden Thomas A. Adams II

Auburn University McMaster University
Department of Chemical Engineering Professor, Chemical Engineering
Department Chair
Joe T. and Billie Carole McMillan Professor Moving to NTNU Starting Fall 2022
(Norwegian University of Science and Technology)

July 2022
About Us: Tom
• Professor, McMaster University
• Moving to NTNU starting Fall 2022
• Research: Chemical process design, modelling, and simulation
• Education:
• B.S. Chemical Engineering (Michigan State)
• B.S. Computer Science (Michigan State)
• PhD Chemical and Biomolecular Engineering (UPenn, Warren D. Seider)
• Key Relevant Courses Taught:
• Process Modelling and Simulation (2011-2022)
• 3rd Year Course
• “Pre-Design”
• Aspen Plus user since 1999.
About Us: Mario
• Professor and Chair, Auburn University
• Research: Chemical process/product synthesis/design
• Education:
• M.S. Chemical Engineering (Technical University of Denmark, DTU)
• Ph.D. Chemical Engineering (DTU, Rafiqul Gani)
• Key Relevant Courses Taught:
• Process Synthesis, Simulation, and Optimization
• Process Design Practice
• 4th Year Courses,
• Two Course Capstone Design Sequence
• Aspen Plus user since 2001.
Today’s Workshop
1. Modelling and Simulation in
Chem Eng Education
2. Overview of the book Learn
Aspen Plus in 24 Hours 2nd Ed
3. Workshop – Try it out!!!
4. Incorporate into Curriculum
5. Future Developments

Full agenda in Workshop Drive

Workshop Materials

Shortcut URL: PSEcommunity.org/workshop

Modelling and Simulation in
Education
Recent CAChE Survey Results
• CAChE: survey about dynamic • 52% are using Aspen Hysys for
modelling & simulation for dynamic modelling
undergrads • Most departments do not want to
expand dynamic modelling any
• 24 responses (different
further, reasons given included:
departments)
• Lack of time in curriculum
• Key takeaways • Too little programming and
• All respondents indicated they use mathematical modelling in curriculum
mathematical modelling to some • What does it mean for us:
degree • Steady state simulations highly
• Most departments are using relevant
steady-state models and simulation • Move to dynamics not popular
software to some degree (like
Aspen Plus or Hysys) • So education in steady state
simulations is a reasonable standard
Modelling and Simulation at Auburn
2nd year, 2nd year, 3rd year, 3rd year, 4th year, 4th year,
Term 1 Term 2 Term 1 Term 2 Term 1 Term 2

Mass & More Reactor Process Tech Electives:

Fluid Mech
Energy Bal’s Thermo Design Control
* Big data
* Supply chain
* Risk mgmt
Coding Heat & Process * Optimization
(1st year) CHE Thermo Mass Separations Economics * ……
Matlab Transfer & Safety

NEW

Numerical Statistics Process

Math Process
Methods in & Comp. Sim/Opt
Modeling & Design
CHE Problem Aspen
Analysis
Solving
McMaster Approach – Modelling from Day 1
2nd year, 2nd year, 3rd year, 3rd year, 4th year, 4th year,
Term 1 Term 2 Term 1 Term 2 Term 1 Term 2
Advanced
Mass & Reactors
Mass & Separations Reactor Process
Energy Bal’s
Energy Bal’s Design Optimization
II & Thermo
I Advanced
Lite
More Separations
Thermo Big Data
Digital
Numerical Process Models. MV
Process
Methods & Fluid Flow Control Stats. PCA,
Control
Models Heat PLS, ANN
Transfer Energy
Systems
Statistics Conceptual Engineering
& Latent Process Economics, Process
Variable Design. Operability, Design
Methods Aspen Safety
Ways to integrate: Algorithmic thinking
2nd year, 2nd year, Get them started on modelling
Term 1 Term 2 concepts early. Ideas:

Mass & • Focus on mathematical problem

Mass &
Energy Bal’s
Energy Bal’s formulation as opposed
I
II & Thermo
procedure
Lite

• Numerical methods to solve

Numerical
mathematically formulated
Methods & Fluid Flow
Models problems.
Avoid green engineering
paper solutions • Basic engineering skills: describe
Provide tools for • Real problems aren’t so
physical phenomena with
algorithmic solution early conveniently defined
• Analytical solution rarely mathematical models
• Matlab, Excel solvers
• Programming Skills possible in practice
• Can use LAP24 early chapters in
introductory courses
Integrate: 1st Principles and Data-driven modeling
3rd year, Connect unit operations to
mathematical models. Reinforces:
Term 1
1. First principles understanding of
Separations what is going on with a unit

Teaches first principles 2. Demystifies future unit ops

and first principles modeling
More
models
Thermo

3. Add concepts of data-driven /

Heat empirical models
Transfer
Revisit same ideas but with
statistical and data-driven models. Statistics
4. Building blocks for flowsheet
• Revisit most critical fundamental & Latent simulations!
chem eng principles Variable
• High student demand Methods Can use LAP24 middle chapters
throughout middle courses
 Now, add Systems thinking
Now by this point, there’s time to incorporate 3rd year,
Term 2
• Flowsheet synthesis and design

• Big picture understandings of the profession Reactor

Design
(why do these units exist? Why do you
choose one vs. another?)

• Optimization-based design and decision- Process

making (units, flowsheets, etc) Control

• Life cycle analysis

Conceptual
Process
• Can use all LAP24 book Design.
Aspen
Design Course #2
4th year,
Term 1
Second Design Course Incorporates Advanced
• Engineering Economics (cash flow, etc) Reactors
• Process Safety
Advanced
• Operability Separations
• Troubleshooting
Digital
• Scheduling Process
• Superstructure Optimization Control
• Flexibility / Flexible Designs Energy
Systems
Traditional design courses would have Engineering
simulations here for the first time. Economics,
Operability,
Safety
Final Design Course
The traditional capstone course
4th year,
• Industrial, open ended problems Term 2
• Industrial mentors Process
Optimization
• Students may incorporate GAMS / big data approaches from parallel courses

• Already have all technical skills, students strictly focus on defining & solving. Big Data
Models. MV
Stats. PCA,
• Students choose their theme based on their specialty: PLS, ANN
• Water/Energy Technology
• PSE
• Biochem/Biomed “Process
• Polymers Design”
Introduction to Aspen Plus
Steady State Chemical Process Modelling
Chemical Process Flowsheet Simulator
The main flowsheet
consists of streams and
blocks

Users build flowsheets

through a visual
interface

A library contains
models for many
different kinds of
chemical process units
 Simple Example: A Flash Drum (steady state)
Users enter known
stream data and model
parameters into forms.

This flash drum model ▪ Mass Balances The physical properties database contains
contains equations for: ▪ Energy Balances data and correlations for:
▪ Fugacity Balances ▪ Physical properties of chemicals
▪ Pressure Drop ▪ Binary VLE Models
Example Solution
Sequential Modular Flowsheeting
Heat Duty 3. The output streams When the simulation is
leaving a block are the executed, the flowsheet
Vapor
unknowns solver looks for blocks
Flash that have enough input
Liquid
Drum Liquid Product information to solve.
Pump
Splitter Recycle
Then a model-specific
1. All stream
subroutine is run in
information leading
order to compute the
into a block must be 2. All degrees of
freedom for the steady-state outputs. It
known.
block must be does not use a general
specified. equation solver (by
default).
Sequential Modular Flowsheeting (2)
Heat Duty
Vapor
Flash
Liquid
Drum Liquid Product
Pump
Splitter Recycle

What if we know what we want downstream but we don’t know the feed
conditions or block settings to get it?

Special tools for that. Sophisticated guess-and-check.

Sequential Modular Flowsheeting (3)
Heat Duty
Vapor
Flash
Liquid
Drum Liquid Product
Pump
Splitter

Recycle

What if there is recycle?

Special tools for that too. More sophisticated guess-and-check.

Aspen Plus vs. Other Competing Software
Our ratings, as appropriate for an Aspen Aspen
undergraduate course setting Plus HYSYS Pro/II ProMax gProms COCO
Cost of academic licenses * * * * * Free
Installation on student computers No No No ? ? Yes
Extensive property / chemicals database Best Best Good Ok Ok Poor
Extensive unit operation models Best Best Good Ok Good Poor
Commercially relevant Yes Yes Yes Yes Yes Limited
Ease of use, Ease of Teaching Not Easy Not Easy Easier Easier Hard Ok
Connectivity with Microsoft Excel Yes Yes Yes Yes Yes Yes
Capital cost estimation Yes Yes No No No No
Heat exchanger network optimization Yes Yes No No No No
Extendible to dynamic simulation Good Best Good No Best No
Market Share / Popularity Most Good Good Some Good Little
Launch Aspen Plus Now
See Agenda / Handouts for How
• Use lab computer (faster)
• If not enough available, you can use your own device with a virtual
connection (more complicated).

• Detailed instructions in Agenda document on the workshop drive

Shortcut URL: PSEcommunity.org/workshop
About the Book
Learn Aspen Plus in 24 Hours
Learn Aspen Plus in 24 Hours – 2nd Edition
• Textbook development partially funded by
Computer Aids for Chemical Engineering
Corporation (CAChE Corp).
• Twelve 2-Hour Tutorials (plus 4 bonus!)
• Based on computer lab modules developed
at McMaster University
• Ten years of development
• Student and instructor feedback from multiple
universities
• Reader and community feedback for 2nd
Edition
Table of Contents
1. Getting Started Basics with the software
2. Physical Property Models Retrieving data. VLE.
3. Problem Solving Tools Design Specs, Sensitivity Analysis
4. Heat Exchangers HEATER, HEATX
5. Equilibrium-Based Distillation DistWU, RadFrac (equilibrium mode)
6. Advanced Problem Solving Tools Utilities, Optimization
7. Chemical Reactor Models All the different reactor types
8. Rate-Based Distillation Models RadFrac (rate-based mode)
Table of Contents
9. Custom Models, Excel CALC blocks. Excel automation
10. Capital Cost Estimation Aspen Capital Cost Estimator
11. Heat Exchanger Networks Aspen Energy Analyzer (Optimiz.)
12. Electrolytes & CO2 Capture (new!) Complex & Complete Flowsheets
B1. Solids Processes Solids Models
B2. Parallel Computing & Python (new!) Aspen Multi-Case, Particle
. Swarm Optim., Latin Hypercubes
B3. Batch Operations (new!) BatchSep and Batch Process.
B4. Choosing the Right Packages (new!) Most requested chapter!
Chemical Engineering Examples Covered
• Alkane Purification • Nuclear Power Systems
• Artificial Flavor Synthesis • Partial Oxidation of Methane
• Autothermal Methane Reforming • Pressure Swing Distillation
• Batch Distillation • Specialty Chemical Production
• Biofuel Purification • Steam Power Plants
• Chemical Looping • Ternary & Quaternary VLE
• CO2 Capture with MDEA
• Dividing Wall Columns
• Hydrogen Production
• Hydrodesulfurization of Naphtha
• Methanol Production
Introductory Material
Module Objectives in Bullets
Quickly see what is covered
in each module

Prerequisite Knowledge
Links to videos and websites to get pre-
requisite theory knowledge
Reviews knowledge from first 1.5 years of
chem. eng. curricula

How can you use this knowledge?

What are the kinds of problems you can solve
by using these tools?
Visuals: Over 240 Screen Captures and Figures
Flowsheets

Understanding Program
Form Data Entry Output
Theory and Problem Solving Solutions are
provided visually

Real chemical
engineering
problems

Some theory,
but not too
much
Advanced Stuff
Aspen
Capital Cost
Estimator
(formerly
Icarus)

Aspen Energy
Analyzer (Heat
Exchanger
network
synthesis)
High Performance Computing!
Automation with
Python
(parallel computing)

Particle Swarm
Aspen Multi-Case Optimization
(parallel computing) (parallel
computing)
How to Order for your Courses
• Links on page 2 of digital agenda
• PSEcommunity.org/LAP24
• USA: Amazon, Barns & Noble
• Bookstores: order from McGraw-
Hill Education directly
• ISBN: 1264266650
• ISBN-13: 9781264266654
• Access Engineering
• Free to your students if your library
subscribes
• I am paid per page view! ☺
3. Workshop
Time to try it!
• Novice Users, try Tutorial 1
• Experienced users, try Tutorial 3
• We’ll come around the room, help and answer questions.

• Sample tutorial files available on Workshop Drive

Shortcut URL: PSEcommunity.org/workshop
Using in Undergraduate Courses
Integrating into One Courses
▪ Example: Design or Pre-Design courses.
▪ Recommended Use: One 2-hour computer lab session per week
▪ 1 competent instructor/TA per 20-25 students is enough, more is better
▪ Pick and choose tutorials that coordinate with your schedule
▪ Tutorial 1 can actually happen before first day of lecture!
▪ Students should work individually, but ok to talk to neighbors
▪ Lecture Complement:
▪ Not Recommended: Using lecture time to prepare students for the tutorial
▪ Recommended: Using lecture time to go beyond the book
▪ Example for unit ops / design: The models under the hood of each block and how they link
to real equipment.
▪ Example for modelling course: Sequential modular flowsheeting, algorithms, etc.
 Tutorial Assessment Strategies
Strategy Disadvantages Advantages
Requiring students to • Someone has to grade it • An “Easy” way to earn points.
answer the questions in the • Auto-grading is too unforgiving • … all the answers are in the
text and having them Student feedback: back of the book, sorry…
graded • Created high anxiety situation
• Students not focusing on digesting the
material, only trying to get the points

Writing your own questions • All of the above, plus: • An “Easy” way to earn points.
that change from year to • Someone has to change it every year. • Year-to-year answer copying
year (Example, changing not possible
flows, temperatures, etc)
No assessment—tutorials • In-lab attendance was very poor • Easy on the instructor
are purely optional • Overall learning was very poor • Low anxiety for the students
No assessment—points for • Bottom 5-10% of students did not finish • Easy on the instructor
attendance worth small the material within two hours • Low anxiety for the students
amount of total course • Some students wanted to be assessed • Very high attendance
grade
Covid Impact Notes!!!
Tutorial Completion and Attenance
• 95% completion/attendance pre-covid (in-person)
• 90% completion, ~30% attendance mid-covid (virtual, 2021)
• 91% completion/attendance post-covid (in person, 2022)

Interaction
• Student interactions during virtual tutorials was very minimal
• Students reported having too much anxiety to show screens or ask
questions to Teams chat / breakout room etc.
• About 70% preferred to do it on their own time and send the
completed files to the TA to receive credit
My Method of Overall Assessment
• Students have a two-hour lab
test toward the end of the Tier 1 • Push the buttons on a
course 10/50 points straightforward example
• Need students to prove
Tier 2 • String a few models together
individually they can use Aspen
Plus to solve problems • Solve basic problem without
20/50 points advanced tools
• They know its coming from day
one so they know they have to Tier 3
keep up • Solve a meaningful problem
30/50 points that requires basic tools
• All 100+ students take at the
same time
Tier 4 • Expand on Tier 3 for a more
• Use 5-Tier Strategy complex problem
• Students get points for highest 40/50 points • Requires advanced tools
tier completed • Expand on Tier 4
Tier 5
• Complex combination of
50/50 points advanced tools
 Tiered Test Strategy
Disadvantages Advantages
Have to teach students about Weaker students can focus on demonstrating at the level
the tiered structure, how to they know, rather than hoping for partial credit
take it wisely

Can be tricky to make a Stronger students can jump directly to the middle of the
tiered test test
Virtual versions required Grading significantly easier: grade highest tier submission
much more time (technical and only more if needed
issues)
Virtual versions subject to Good when time constrained: time spent on critical
improper collaboration thinking rather than racing through a simulation
Lower student anxiety
Feedback is consistently positive with this method
 Tiered Test Example Tier 3
DESIGN A DISTILLATION COLUMN
Design a distillation column that separates a mixture of
Tier 1 50 mol% n-hexane, 50 mol% n-heptane (total flow of 100
kmol/hr at 1.5 bar and 25°C) into 98 mol% pure n-hexane
FIND THE OUTPUTS OF USING A PUMP
and 98 mol% pure n-heptane. The target distillate and
Determine the amount of electricity it takes to pump
bottoms purities should be achieved within 0.01 mol%,
100 kmol/hr of an equimolar mixture of n-hexane and
n-heptane from 25°C and 1 bar to 1.5 bar, using
Tier 4
default efficiency settings. Also, report the
temperature of the liquid after pumping. TIER 3 + HEATING/COOLING/PUMPS. UTILITY COSTS.
Complete Tier 3, and add heat and pressure management
Tier 2 system to get distillation and bottoms products to
MODEL A COMBUSTION REACTION storage conditions (35°C, 1.5 bar). Compute total utility
Suppose 25 kmol/hr of methane and 1000 kmol/hr of costs in each category in $/hr.
air (both at 25°C and 1 bar) are combusted in an
adiabatic combustion chamber to 100% completion. Tier 5
Then suppose the hot exhaust gases are used to heat TIER 4 + ADD ECONOMIZER AND OPTIMIZE SYSTEM .
up a 100 kmol/hr of an equimolar mixture of n-hexane Complete Tier 4, Then, improve upon the process de-sign
and n-heptane (also at 25°C and 1 bar), which by using an economizer. Use Aspen Plus to find the
completely vapourizes it and superheats it. The cooled optimum heat duty of that economizer, which is the heat
exhaust gases leave at 250°C. Find the temperature of duty which makes the total utility costs the lowest. The
the hexane/heptane mixture after it is heated. approach temperature in the economizer should not be
smaller than 5°C.
Experiential Learning
Working with the students in the labs
Engaging Students for Problem Solving
STEP 1: Ask questions to assess their knowledge level.
STEP 2: Ask questions to get them to the next level. Then go to next student.
Completely unprepared for the material
No understanding of the problem itself
Missed
lectures, No understanding of the solution
Cannot Missing pieces of solution
tutorials, etc.
understand strategy
No idea Small errors /
Has no what it is
where to missing data
chance to asking. Some idea
begin to
get up to but cannot
solve this “Knows what
speed today articulate full
problem to do” but
solution
something
“isn’t
working”.
What to do at Level 1 (Completely unprepared)
Completely unprepared for the material
No understanding of the problem itself
▪ Currently in the lab / tutorial:
Missed
lectures, No understanding of the solution
▪ Politely
tutorials, etc.
Cannotadvise the student to do
Missing piecessome
of solution
understand
Has no
specific preparation
what it is
No idea (reading,
strategyetc.) so they
Small errors /
chance tocan get ready where
get asking. to to
tackle
begin to solve
the
Some tutorial.
idea missing data
up to▪speed but cannot
today
Direct them to the
this “Prerequisite
problem
articulate
Knowledge”
full
“Knows what
to do” but
section and have them watch solution the linked
something
videos “isn’t
▪ You will be happy to help when they are
working”.

ready
What to do at Level 2 (Don’t understand problem)

Completely unprepared for the material

No understanding of the problem itself
▪ Try to re-explain
Cannot
problem in
No understanding a different
of the solution way
Missing pieces of solution
▪ Talk about what kinds
understand
No idea
of solutions
strategy it requires
Small errors /
(Ex: “The problemwhere
what it is is asking
to which
Some idea
heatmissing data
asking.
exchanger designbeginis more
to solveprofitable. What kind
this problem
but cannot
“Knows what
of numbers might be important articulate
forfull
that?”)
to do” but
solution
▪ Ask them to consider a simple version something of the
“isn’t
problem and then build upon that (Ex:working”. “How
would I know if a single heat exchanger
requires a lot of energy?”)
▪ Ask: “Are there phrases or terms that you
specifically do not understand?”
What to do at Level 3 (Don’t understand solution)

Completely unprepared for the material

No understanding of the problem itself
No understanding of the solution
Missing pieces of solution
▪ Start the conversation:
No idea
“What ideas have you
strategy
Small errors /
thought about sowhere
far?”to Some idea missing data
Ask: “What do thinkbeginatocorrect
solve
▪ butanswer
cannot might
this problem “Knows what
articulate full
look like?“ (Ex: Temperature solution
between 50-65°C)
to do” but
something
▪ Ask: “What are some of the key concepts “isn’t
that
you think you need for this problem? (example, working”.
mass balances, integrate an equation, etc.)
▪ Can you explain knowledge gaps quickly?
▪ If not: point them to resources for those
▪ Get them to articulate the solution strategy
What to do at Level 4 (Small Strategy Gaps)
Completely unprepared for the material
No understanding of the problem itself
No understanding of the solution
Missing pieces of solution
strategy
Small errors /
Some idea missing data
Ok to clue them in more at thisbut
stage.
cannot
far?” full “Knows
▪ Ask: “What have you tried soarticulate what
to do” but
▪ Focus on the specific knowledge gaps something
solution

▪ Do they just need a quick reminder? “isn’t

working”.
▪ Ask them to come up with some strategy
options and give their thoughts on each
(offer some yourself)
▪ Ask them to draw out all the steps involved
What to do at Level 5 (Small Data Gaps)
Completely unprepared for the material
No understanding of the problem itself
No understanding of the solution
Missing pieces of solution
strategy
Small errors /
missing data
“Knows what
Can be simple and direct at this stage. to do” but
▪ “Oh, that’s in the Pressures tab of the form”
something
▪ “Oh, you just need the fprintf function“isn’t
for that.”
working”.
▪ Ask: “Any idea of which step you went wrong?”
▪ Suggest tests they can do to identify the error.
“Do a mass bal. around each box until
something’s off”
Remember
• Students learn so much more when they connect the dots themselves
• If you are just a data source for answers, they will never stop asking
you…
• Your TAs can do this instead of you if you train them to follow this
strategy.
Tips: Engaging Students in Tutorials and Labs
• Good to present a short overview of today’s lab at the beginning.
• No one asking questions for long periods? Don’t just sit there!
• Are students collaborating in a group? Actively listen.
• Are they totally on the wrong track? Ask some starter questions to get them righted.
• Did a student come up with a good idea? Encourage them to explore that idea?
• Are students arguing over competing ideas? Moderate an intelligent discussion.
• “So, how are you trying to solve this problem?”
• “What success have you had so far in solving this problem?”
• “What are your ideas so far?”
• Beware Time Burglars → Students who try to monopolize all your/TA’s
time
• Spend 1-2 minutes per student at a time. Then break and leave.
• If no hands go up then you can go back to that student again.
Online Community and Resources
Join our Online Community!
Resource for PSE Education
and Research
LAPSE: Repository for Materials, Models, etc
• PSEcommunity.org/LAPSE
• Articles, Presentations, and
Course Materials
Aspen Plus Simulation Examples
http://PSEcommunity.org/LAP24
http://PSEcommunity.org/lapse/keyword/116
Related Community Initiatives (1)
https://www.seas.upenn.edu/~cbe400/aspen/ • Videos of how to use Aspen Plus
• Contains theory for each model
• Equations
• Mass & Energy Balances
• “What is a pump?”
• Goes well with my book and his!
Related Community Initiatives (2)
• https://cache.org/teaching-resources-center
Curated links to resources, grouped by topic
Related Community Initiatives (3)
https://learncheme.com/screencasts/computing/
YouTube videos on using Aspen Plus
A little older (2014) but still useful