Important tools in

process simulation
H83PS1 Process Simulation 1 Other important topics 1
Other important topics 2
Outline
Thermodynamic model (Fluid Package)
selection
New component registration
Process model approximation
Sub-flowsheets
H83PS1 Process Simulation 1
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Thermodynamic model
selection
H83PS1 Process Simulation 1
Fluid package-Know your
system
The chosen fluid package will be used to estimate the
VLE/LLE of the system.
Thermodynamic packages makes a system of
equations relating the necessary experimental data and
the unknown VLE compositions, temperature and
pressure.
Choosing the appropriate model for the system is one
of the most important steps in process simulation.


Other important topics 4 H83PS1 Process Simulation 1
Vapor liquid equilibria
Phase equilibria in multicomponent system
The fugacity of component in liquid and vapor
phases must be equal




and are the fugacity and activity coefficients
and f
0
is the fugacity of the component at
standard state


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phases for for t
t | o
C i
f f
f f f
V
i
L
i
i i i
,.... 2 , 1
....
=
=
= = =
0
i i i
L
i
i i
V
i
f x f
P y f
=
u =
0
i i i i i
f x P y = u
H83PS1 Process Simulation 1
Model selection
1. Ideal gas phase, ideal liquid phase
Fugacity coefficient=1, Activity coefft=1, and f
0
is
the saturation pressure, P
s
2. Low pressure VLE problems
Assume ideal behavior for gas phase



3. High pressure VLE problems




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s
i i i i
P x P y =
(

u = u
RT
P P V
P x P y
s
i i
s
i
s
i i i i i
) (
exp
Poynting correction
H83PS1 Process Simulation 1
EOS models
EOS models corrects the non-idealities
in the gas phase
Best models for oil, gas and
petrochemical applications.
PR is generally a good model for systems
where it can be used.
Mainly applicable for non-polar or slightly
polar systems.

Other important topics 7 H83PS1 Process Simulation 1
Non-ideal Liquid Mixtures
To deal with non-idealities in the liquid phase,
we need to account for the activity coefficients
in liquid state
For one liquid phase systems, most of the relevant
activity models should work (Margules, WILSON
etc). NRTL or UNIQAC will not provide any
additional advantage. Generally Wilson is suggested
for such systems.
For multiple liquid phase systems, use activity
models that can handle multiple phases (eg. NRTL,
UNIQAC). NRTL is recommended for strongly non-
ideal mixtures especially with immiscible systems.

Other important topics 8 H83PS1 Process Simulation 1
Fluid Package Choice
Questions for Fluid Package Choice
Are the components?
Polar
Non-Polar
System Pressures?
P< 10 atm - ideal gas
Interaction Parameters Available?
The most complex model need not be the most
accurate for the system.
Look for the available interaction parameters.
H83PS1 Process Simulation 1 Other important topics 9
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Useful thermo models
(Chen and Mathias, 2002)
H83PS1 Process Simulation 1
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Useful thermo models
(Chen and Mathias, 2002)
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Thermo model selection
(Carlson, 1996)
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Thermo model selection
(Carlson, 1996)
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Thermo model selection
(Carlson, 1996)
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Setting up a fluid package
H83PS1 Process Simulation 1
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Basic steps
Apply Poynting correction and select the vapor
model (for activity coefficient models)

16 H83PS1 Process Simulation 1
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Parameters tab
Check whether the binary interaction parameters
are available. Depends on the selected property
model.

17
Example of NRTL-different models have different parameters
Available in HYSYS
Use the appropriate set
H83PS1 Process Simulation 1
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Parameters tab
If the missing interaction parameters are available
in literature, fill the values. Other wise, estimate
unknown interaction parameters.
18
Example of NRTL-different models have different parameters
Missing- not available in HYSYS library
Use to predict
with models
H83PS1 Process Simulation 1
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Parameters tab
IMPORTANT: The prediction models may not be
very accurate. So, always look for experimental
values if interaction parameters are not available in
HYSYS library.
Suggested places to look for data/better or newer
models are scientific journals like fluid phase
equilibria, reference books and handbooks.
The correct selection of fluid package and
availability of binary interaction parameters are the
key to build a good simulation model.

19 H83PS1 Process Simulation 1
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Tutorial-Sour gas absorption
Tasks:
1. Simulate the process using NRTL model
2. Re-do the simulation with estimated interaction parameters
3. Discard the NRTL model & re-simulate the file using SRK
model
Compare the simulation results.
Condition:
T = -56
o
C
P = 1.5 bar
Components:
Propene = 57.53 kgmole/hr
HCl = 19.69 kgmole/hr
Condition:
T = 25
o
C
P = 1.5 atm
Condition:
T = 25
o
C
P = 3 bar
Component:
Water - 82 kgmole/hr
Absorber specification:
Top pressure: 1.3 bar
Bottom pressure 1.4 bar
H83PS1 Process Simulation 1
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Sour gas absorption results
NRTL result
SRK result
Quite a huge difference!!!
H83PS1 Process Simulation 1
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Remember the basic steps
Input topology of flowsheet
3
Select thermodynamic model
2
Select convergence criteria and
run simulation
7
6
Select output display options
Sequence of input steps for a
simulation problem
Basic computational elements in
process simulator
Component database
1
Thermodynamic
model solver
2
Flowsheet builder
3
Unit operation block
builder
4
Data output
generator
5
Flowsheet solver
6
Select chemical components 1
Select units and select feed
stream properties
4
Select equipment parameters
5
(Turton et al., 1998)
* Other commonly found features: file control
options, eng units options, data regression, etc.
H83PS1 Process Simulation 1
Time for exercise
H83PS1 Process Simulation 1 Other important topics 23
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New component
registration
H83PS1 Process Simulation 1
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Hypothetical components
H83PS1 Process Simulation 1
(1) To create components
not available in Hysys
(hypothetical
component)
(2) Click to create
and edit hypos
(3) Click to create
a New Hypo
(4) Rename
as Sulphur
Other important topics 26
Hypothetical components
H83PS1 Process Simulation 1
(1) Click to open
Hypotheticals Manager
(2) Under the Settings tab,
select Sulphur_Component and
close the Hypotheticals Manager
Other important topics 27
Notes on hypo component
Essential properties that may be used to
estimate other unknown properties:
Specific boiling point @ specific density
Molecular weight
HYSYS will generate other properties once
the above are provided.
However, it is important to include as many
properties as possible in order to generate a
reliable model.
H83PS1 Process Simulation 1
Other important topics 28
Property estimation
Data from literature
for comparison with
HYSYS-estimated
data:
T
c
= 1903.64 F (1039.8 C)
P
c
= 2631.71psia (18145 kPa)
V
c
= 2.5309 ft
3
/lbmol
(0.158 m
3
/kgmol)
Acentricity = 0.2461
H83PS1 Process Simulation 1
(1) Include only MW (256.53)
& density (2000 kg/m
3
)
(2) Click to estimate
unknown properties
(3) Change the normal
boiling point (444.6C) to
re-estimate the properties
Other important topics 29
Property estimation
(2) Re-estimate unknown
properties again
H83PS1 Process Simulation 1
(1) Key in these
literature data:
T
c
= 1903.64 F (1039.8 C)
P
c
= 2631.71psia (18145 kPa)
V
c
= 2.5309 ft
3
/lbmol
(0.158 m
3
/kgmol)
Acentricity = 0.2461
(3) Double click on
Sulphur to view
properties
Other important topics 30
Pseudo components
H83PS1 Process Simulation 1
There are many complex mixtures that
contain hundreds of components.
Pseudo components represent different
components of similar nature and
represented by the average of different
properties.
HYPO components can be used to represent
pseudo components.
Try out there yourself
Other important topics 32
Add hypo comp to the flowsheet
H83PS1 Process Simulation 1
Add hypo comp to the
flowsheet
Other important topics 33
Tutorial 10 Cooling of sulphur
Thermo model: Peng-Robinson
Feed stream: 100 kg/h of sulphur 50 C & 1 bar
Cooler specification: Delta P = 0

Specify temp of
outlet stream (30C)
in order to calculate
the heat duty
H83PS1 Process Simulation 1
Time for exercise
H83PS1 Process Simulation 1 Other important topics 34
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User defined models
H83PS1 Process Simulation 1
Other important topics 36
How to model these systems?
Stripping column
Stripping
air
Wastewater
with NH
3
Wastewater
without NH
3
Stripping air
with NH
3
to
regeneration
Membrane system
H83PS1 Process Simulation 1
Other important topics 37
Membrane separation
Permeate
Feed
Retentate
Flux
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User-defined models in HYSYS
Import user
models under
Custom tab
H83PS1 Process Simulation 1
(2) Create Type
(3) Rename
Other important topics 39
User-defined models in HYSYS
H83PS1 Process Simulation 1
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User-defined models in HYSYS
H83PS1 Process Simulation 1
User coding is
required!
Other important topics 41
Tutorial 11 Component Splitter
H83PS1 Process Simulation 1
Thermo model: UNIQUAC
Feed stream:
Flowrate: 90 kg/h of ethanol; 10 kg/h of water
Temp: 95C; pressure: 1 bar
Specification for Comp Splitter:
Parameter:
Calculate Equal Temperatures
Equalize All Stream Pressures
Split:
Top stream: 0.99 for ethanol
Bottom stream: 1.00 for water
Other important topics 42
Tutorial 11 Component Splitter
Component
splitter
Right click empty
section, select Add
Workbook Table/
Composition
H83PS1 Process Simulation 1
Other important topics 43
Some notes to remember
This is an ideal separation system (e.g.
membrane separation) for ethanol & water.
The model does not make any sense if this is
to approximate a distillation column (where
the model is originally built for).
H83PS1 Process Simulation 1
Time for exercise
H83PS1 Process Simulation 1 Other important topics 44
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Tutorial stripping (for practice)
In a polymer plant that produces polyvinyl
chloride (PVC) from vinyl chloride monomer
(VCM), liquid effluent from the polymerisation
reactor consist of PVC, wastewater and some
unconverted VCM.
A stripping operation is used to remove the
dissolved VCM by a low pressure steam.
H83PS1 Process Simulation 1
Other important topics 46
Tutorial instructions
Register PVC as a hypo component (look for
physical properties yourself).
Water stream condition:
Water flowrate: 4600 kg/h
PVC flowrate: 2700 kg/h
VCM flowrate: 380 kg/h
T = 50C; P = 1.1 bar
Inlet steam specification: 400 kg/h; 1.1 bar,
120C
Task: remove VCM from the water stream so
that the clean water stream will contain less
than 0.5 wt% of VCM.
H83PS1 Process Simulation 1
Other important topics 47
Sub-flowsheets
H83PS1 Process Simulation 1
Sub-flowsheets
HYSYS has a multi-flowsheet architecture.
A big flowsheet can be split up into smaller
sub-flowsheets.
Each sub-flowsheet has its own streams,
operations, PFD and an independent fluid
package.
The column in HYSYS is a sub-flowsheet
where independent operations are possible
Other important topics Lecture 2 - 48 H83PS1 Process Simulation 1
Potential applications
Deal with a large flowsheet.
Incorporate multiple fluid packages for
different sections.

Other important topics Lecture 2 - 49 H83PS1 Process Simulation 1
MCB separation process
Separation of HCl, MCB and Benzene.




Flash column to separate vapor and liquid at 270
0
F
with a pressure drop of 5 psi.
Combination of absorption and distillation to separate
MCB and Benzene.


Component Flow rate
(lbmol/hr)
Condition

HCl
Benzene
MCB

10
40
50

80
0
F

37 psia
Other important topics Lecture 2 - 50 H83PS1 Process Simulation 1
Challenges
Flash column
- Gas phase operation at 270
0
F
- Gas and liquid phase are non-ideal
Incorporate multiple fluid packages for
different sections.
Absorption column
- Gas phase operation at 270
0
F
- The liquid phase non-ideality is more significant


Other important topics Lecture 2 - 51 H83PS1 Process Simulation 1
Final flowsheet






Chlorobenzene is used to absorb the
solvents.
Other important topics Lecture 2 - 52 H83PS1 Process Simulation 1
Approach
Form a template for flash column
Insert the template to the main
flowsheet
Use different fluid packages in flash
column and absorption column


Other important topics Lecture 2 - 53 H83PS1 Process Simulation 1
Templates
A template is a special type of HYSYS case
that can be inserted as a sub-flowsheet into
other HYSYS design cases
To create a template
Convert a whole flowsheet into a template
Create a new template
Convert part of a flowsheet into a template
Other important topics Lecture 2 - 54 H83PS1 Process Simulation 1
Convert a whole
flowsheet
Access the customize and select convert to
template button.

Other important topics Lecture 2 - 55 H83PS1 Process Simulation 1
Create a new flowsheet
From file menu, select new then template
Build a regular flowsheet
Access the main properties (simulation-main
properties) and set convert to template.
When you save simulation, it will be saved as
a template

Other important topics Lecture 2 - 56 H83PS1 Process Simulation 1
Covert part of a
flowsheet
On PFD, select all the unit ops and streams
you want to capture
Select move into subflowsheet
Template
Other important topics Lecture 2 - 57 H83PS1 Process Simulation 1
Installing a template in
a simulation
Open the flowsheet
Click on blank subflowsheet icon on the object
palette and pick read an existing template and select
the template we just saved.

To install template
Other important topics Lecture 2 - 58 H83PS1 Process Simulation 1
Installing a template in
a simulation
Once the template is installed as a new sub-
flowsheet, any subsequent changes will only
affect the new flowsheet.

Other important topics
For going back to
main flowsheet
Lecture 2 - 59 H83PS1 Process Simulation 1
Connections tab
Here, enter the feed and product connections
between sub and main flowsheets
Other important topics Lecture 2 - 60 H83PS1 Process Simulation 1
Connections tab
Feed connections are the material or energy
streams into the sub flowsheet and products
are out of the sub-flowsheet.
Internal streams are streams in the sub-
flowsheet and external streams are in the main
flowsheets.
Other important topics Lecture 2 - 61 H83PS1 Process Simulation 1
Try out there yourself