CHEE 4039 Advance Computational Methods: Module Outline

CHEE 4039 Advanced Computational Methods Q1 pg 1
CHEE 4039 Advance Computational Methods

Module Outline
It is a tutorial-based module assessed 100% by

coursework.
10 credits Spring Semester.
The module is designed to offer experience of advanced

software applications in chemical engineering, with
potential application to Undergraduate Design Projects
and Research Projects and MSc Research Projects.
Summary of Content
Advanced features of Aspen HYSYS using:
The optimiser for (a) a two-stage compressor (b) an

economic assessment of a refrigeration process;
The dynamics package to simulate (a) fluid flow in
tank (b) the control of a separator drum;
Property packages to simulate an absorption
refrigeration system (water-ammonia).
Learning Outcomes
US2m A comprehensive knowledge and understanding of mathematical
and computer models relevant to the chemical/environmental
engineering discipline, and an appreciation of their limitations.
E2m Ability to apply mathematical and computer based models for

solving problems in chemical/environmental engineering, and the ability
to assess the limitations of particular cases
E3m Ability to extract data pertinent to an unfamiliar problem, and apply

its solution using computer based engineering tools when appropriate.
Students must be able to handle advanced problems in fluids and solids
formation and processing
Students must be able to apply chemical/environmental engineering
methods to the analysis of complex systems within a structured approach
to safety, health and sustainability.
Module Activities
3 hours per week

Consist of examples problems, class activities and oral
assessments.
Weekly Schedule
Week No Lecture Topic
1 The optimiser tool in computer based engineering tools for two
stage compression system. (Q1)
2 The optimiser tool in computer based engineering tools for a
refrigeration system. (Q2)
3 Oral assessment and Report Writing for Q2
4 Simulation on dynamic behaviour of a process with control
5 system with 3 tanks in series. (Q3)
6 Simulation on dynamic behaviour of a process with a separator

drum system. (Q4)
7
9 Investigation on the thermodynamic behaviour of an absorption

refrigeration system (water-ammonia). (Q5)
10

H84 ACM Advance Computational Methods

Coursework Submission
Deadline for Coursework Submission: Wednesday 26th
April 2016
(please submit in electronic format to Moodle)
Kindly name your PDF file as follows:

H84ACM Coursework (Students name)
The weighting is
Optimiser Q2 30%
Dynamics Q4 40%
Refrigeration Q5 30%
HYSYS STEADY STATE

OPTIMIZER
Question 1
(A) HYSYS Steady-State Optimiser

Question 1 (not for submission)
Two-stage Compression
Nitrogen is to be compressed from 1 bar and 25C to 16
bar in two stages.
Find the optimum (to minimise compressor power) mid-
stage pressure with an inter-stage cooler reducing the
process stream to 40C with a negligible pressure drop.
Assume the polytropic efficiency of both compressors is
constant at 75%.
A few guides
Imagine the flowsheet two compressor with one cooler in the
middle.
Gather the information:

General: nitrogen, 1kmol/hr as the molar basis, thermodynamic
model of Peng Robinson.
Compressor 1: 1 bar and 25C, polytropic efficiency at 75% but
outlet pressure is unknown.
Cooler: outlet temperature 40C with no pressure drop.
Compressor 2: outlet pressure 16 bar, polytropic efficiency at
75%.
Objective function: Q1 is minimum with constraint of Q1=Q2.
Get the converged base case.

Set up your optimiser case study.
A few guides
Target: Find the optimum (to minimize compressor power)
mid-stage pressure, P2
Objective function: Q1 is minimum with constraint of Q1=Q2.
Nitrogen,
40C
1kmol/hr 16 bar
1 bar and 25C, P2 unknown
No
pressure
drop Polytropic efficiency at 75%
Polytropic efficiency at 75%

Click to open New Case
11
In the Simulation Basic Manager

, click Add.
1) Look for
Component List tab
2) Click Add
12
In the Component List, search Nitrogen and

click Add Pure to add it as the only component.
1) In the Component
List, type Nitrogen and
click Add
13
Click Fluid Pkgs tab and click Add
1) Click Fluid
Packages tab
2) Click Add
14
Choose Peng Robinson as the

Property Package
1) Choose Peng Robinson

as the
Property Package
15
CHEE 4039 Advanced Computational Methods
Click Simulation on the side tab to

go to Main Case
1) Click Simulation tab
16
Choose the first Compressor
1) Choose the first

Compressor
17
At Design-Connections tab, name

the streams and energy.
1) Name inlet as
1
2) Name
outlet as 2
3) Name
Energy as
18
Q1
At Design-Parameters tab, key in 75% of

polytropic efficiency, and choose centrifugal
mode with single curve input.
1) For polytropic
efficiency, enter the
value of 75
19
At worksheet-Conditions tab, key in the

T, P and molar flow of stream 1, and
predict a P for stream 2.
2) Predict
the pressure
for stream 2,
say 5 bar
1) Enter the given

information:
T=25 C
P=1 bar
Molar flow rate= 1 kmol/h
20
Double-click stream 1, go to
Worksheet-Compositions tab, key in mole
fraction of nitrogen as 1.
1) Double click
stream 1
1) Mole fraction of
Nitrogen =1
21
Add cooler to the main case and

name the streams and energy.
2) Select the Inlet

as 2
1) Add a cooler 4) Name Energy

as QC
3) Name outlet
as 3
22
Go to Design-Parameters tab, and

key in 0kPa as delta P.
1) Delta P is 0
23
Go to Worksheet-Conditions tab,
key in 40oC as the T for stream 3.
1) Go to
worksheet 2) Stream 3
tab T = 40 C
24
Add second compressor, name the streams

and energy at Design-Connections tab.
2) Select the Inlet

as 3
1) Add the second

compressor
4) Name 3) Name
Energy as outlet as 4
Q2
25
At Design-Parameters tab, key in 75% of

polytropic efficiency, choose centrifugal
mode with single curve option.
1) Polytropic
efficiency =75
26
At Worksheet-Conditions tab,
key in 1600kPa as the P for stream 4.
1) Go to
worksheet 2) Stream 4
tab Pressure is 16
bar
27
Optimizer
To find the operating conditions which minimize or maximize an
Objective Function
Primary Variables
These are flowsheet variables whose values are manipulated in order to
minimize (or maximize) the objective function.
You set the upper and lower bounds for the primary variables, which are
used to set the search range.
Objective Function
This is the function which is to be minimized or maximized.
The function has to be defined within the Spreadsheet.
This allows the user a great deal of flexibility in defining the function.
Constraint Functions
Inequality and equality functions are defined in the Spreadsheet.
In solving the Objective Function, the Optimizer must also meet any
constraints that are defined by the user.
Optimizer
Target: Find the optimum (to minimize compressor power)
mid-stage pressure, P2
Primary Variables: Mid-stage pressure, P2
Objective function: To minimize Q1
Constraint Functions: Q1=Q2
Nitrogen,
1kmol/hr 40C
16 bar
1 bar and 25C, P2 unknown
No
pressure
drop Polytropic efficiency at 75%
Polytropic efficiency at 75%

Go to Home tab, and choose

Optimizer
2) Click Optimizer
1) Go to
Home tab
30
At Configuration tab, choose

Original as the Data Model.
1) Leave it as
Original
31
At Variables page, click Add to select the

Primary Variable (midstage P=P of stream 2)
1) Go to Variable
tab
3) Select the
pressure of stream
2
2) Click Add
32
Key in the low and high bound pressures and

click Spreadsheet at the left-bottom side of this page
1) Low bound 2) High bound
pressure, say 1.5 pressure, say 15
bar bar
3) Click
Spreadsheet
33
At Optimizer Spreadsheet, click

Add Import
1) Click Add
Import
34
Choose P of stream 2 as the

first variable, name it as A1 cell.
1) First variable :
P of stream 2
2) Name it as A1
35
Import second variable

(power of Q1) as A2 cell
1) Second
variable : Power
of Q1
2) Name it as A2
36
Continue to import the

3rd variable (Q2-power) as A3 cell
1) Third variable :
Power of Q2
2) Name it as A3
37
Close the Optimizer Spreadsheet

page when all three variables are imported
1) Close it when
all are done
38
At Functions tab, choose A2 cell as the

minimize parameter, set the Constraints
Functions (A2=A3) with default Penalty Value as 1.
1) Go to Function
tab
3) Select =
2) Select 4) Select A3
A2
39
Go to Monitor tab and click

Start the calculation.
1) Go to Monitor
tab
2) Click Start
40
40
The results of iteration will appear

after finished calculations. The optimum
mid-stage P is 410.9kPa after 8th iterations.
1) Optimum P of
stream 2
41
At Function tab, you can observe that Q1=Q2

, which is 1.7113 kW
1) Go to Function
tab 1) Optimum P of
stream 2
2) Q1=Q2=1.7113 kW
42
Your tasks
a) What if there is no inter-stage cooling?
b) What if your objective function is changed to minimize Q
in which Q=Q1+Q2?
Instruction: Complete two tasks as above and explain to

the instructor your observed behavior/results.

CHEE 4039 Advance Computational Methods: Module Outline

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CHEE 4039 Advanced Computational Methods Q1 pg 1

CHEE 4039 Advance Computational Methods

It is a tutorial-based module assessed 100% by

10 credits Spring Semester.

The module is designed to offer experience of advanced

Advanced features of Aspen HYSYS using:

The optimiser for (a) a two-stage compressor (b) an

E2m Ability to apply mathematical and computer based models for

E3m Ability to extract data pertinent to an unfamiliar problem, and apply

3 hours per week

6 Simulation on dynamic behaviour of a process with a separator

8 Oral assessment and Report Writing for Q4

9 Investigation on the thermodynamic behaviour of an absorption

12 Oral assessment and Report Writing for Q5

H84 ACM Advance Computational Methods

Kindly name your PDF file as follows:

HYSYS STEADY STATE

(A) HYSYS Steady-State Optimiser

Gather the information:

Get the converged base case.

Polytropic efficiency at 75%

Click to open New Case

In the Simulation Basic Manager

In the Component List, search Nitrogen and

Click Fluid Pkgs tab and click Add

Choose Peng Robinson as the

1) Choose Peng Robinson

Click Simulation on the side tab to

1) Click Simulation tab

Choose the first Compressor

1) Choose the first

At Design-Connections tab, name

At Design-Parameters tab, key in 75% of

At worksheet-Conditions tab, key in the

1) Enter the given

Add cooler to the main case and

2) Select the Inlet

1) Add a cooler 4) Name Energy

Go to Design-Parameters tab, and

Add second compressor, name the streams

2) Select the Inlet

1) Add the second

At Design-Parameters tab, key in 75% of

Polytropic efficiency at 75%

Go to Home tab, and choose

At Configuration tab, choose

At Variables page, click Add to select the

Key in the low and high bound pressures and

At Optimizer Spreadsheet, click

Choose P of stream 2 as the

Import second variable

Continue to import the

Close the Optimizer Spreadsheet

At Functions tab, choose A2 cell as the

Go to Monitor tab and click

The results of iteration will appear

At Function tab, you can observe that Q1=Q2

Instruction: Complete two tasks as above and explain to

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