Outline

q Thermodynamic model (Fluid Package)

selection
q New component registration
q Process model approximation
q Sub-flowsheets

Important tools in
process simulation

H83PS1 Process Simulation 1

H83PS1 Process Simulation 1

Lecture 3 - 1

Lecture 3 - 2

Fluid package-Know your

system
q The chosen fluid package will be used to estimate the

Thermodynamic model
selection

VLE/LLE of the system.

q Thermodynamic

packages

makes

system

of

equations relating the necessary experimental data and

the unknown VLE compositions, temperature and
pressure.
q Choosing the appropriate model for the system is one

of the most important steps in process simulation.

H83PS1 Process Simulation 1

Lecture 3 - 3

H83PS1 Process Simulation 1

Lecture 3 - 4

Vapor liquid equilibria

Model selection

Phase equilibria in multicomponent system

The fugacity of component in liquid and vapor
phases must be equal

f ia = f i b = .... = f ip

f iV = yi F i P

f i L = f iV

f i L = xig i f i 0

for i = 1,2,.... C for p phases

1. Ideal gas phase, ideal liquid phase

Fugacity coefficient=1, Activity coefft=1, and f0 is
the saturation pressure, Ps
2. Low pressure VLE problems
Assume ideal behavior for gas phase

yi P = xig i Pi s

and are the fugacity and activity coefficients

and f0 is the fugacity of the component at
standard state

yi F i P = xig i f i

3. High pressure VLE problems

yi F i P = g

xi i F is Pi s

H83PS1 Process Simulation 1

Lecture 3 - 5

EOS models

Vi ( P - Pi s )
exp

RT

Poynting correction

H83PS1 Process Simulation 1

Lecture 3 - 6

Non-ideal Liquid Mixtures

q To deal with non-idealities in the liquid phase,

q EOS models corrects the non-idealities

we need to account for the activity coefficients

in liquid state

in the gas phase

For one liquid phase systems, most of the relevant

q Best models for oil, gas and

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 nonideal mixtures especially with immiscible systems.

petrochemical applications.
Peng Robinson (PR) is generally a good

model for systems where it can be used.

Mainly applicable for non-polar or slightly

polar systems.
H83PS1 Process Simulation 1

Lecture 3 - 7

H83PS1 Process Simulation 1

Lecture 3 - 8

Fluid Package Choice

Useful thermo models

q Questions for Fluid Package Choice

q Are the components?
Polar
Non-Polar

q System Pressures?
P< 10 atm - ideal gas

q 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

Lecture 3 - 9

H83PS1 Process Simulation 1

Lecture 3 - 10

Thermo model selection

Useful thermo models

(Chen and Mathias, 2002)

H83PS1 Process Simulation 1

(Chen and Mathias, 2002)

Lecture 3 - 11

(Carlson, 1996)
H83PS1 Process Simulation 1

Lecture 3 - 12

Thermo model selection

Thermo model selection

(Carlson, 1996)
(Carlson, 1996)
H83PS1 Process Simulation 1

H83PS1 Process Simulation 1

Lecture 3 - 13

Lecture 3 - 14

Basic steps

Overview

q Apply Poynting correction and select the vapor

model (for activity coefficient models)

Setting up a fluid package

H83PS1 Process Simulation 1

Lecture 3 - 15

H83PS1 Process Simulation 1

Lecture 3 - 16

Parameters tab

Parameters tab

q Check whether the binary interaction parameters

q If the missing interaction parameters are available

are available. Depends on the selected property

model.

in literature, fill the values. Other wise, estimate

unknown interaction parameters.

Available in HYSYS

Missing- not available in HYSYS library

Use the appropriate set

Example of NRTL-different models have different parameters

H83PS1 Process Simulation 1

Use to predict
with models

Example of NRTL-different models have different parameters

H83PS1 Process Simulation 1

Lecture 3 - 17

Lecture 3 - 18

Tutorial-Sour gas absorption

Parameters tab
q IMPORTANT: The prediction models may not be

very accurate. So, always look for experimental

values if interaction parameters are not available in
HYSYS library.
q Suggested places to look for data/better or newer
models are scientific journals like fluid phase
equilibria, reference books and handbooks.
q The correct selection of fluid package and
availability of binary interaction parameters are the
key to build a good simulation model.

Condition:
T = 25oC
P = 3 bar
Component:
Water - 82 kgmole/hr

Condition:
T = -56oC
P = 1.5 bar
Components:
Propene = 57.53 kgmole/hr
HCl = 19.69 kgmole/hr

Condition:
T = 25oC
P = 1.5 atm

Absorber specification:
Top pressure: 1.3 bar
Bottom pressure 1.4 bar

q 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

q Compare the simulation results.

H83PS1 Process Simulation 1

Lecture 3 - 19

H83PS1 Process Simulation 1

Lecture 3 - 20

Sour gas absorption results

Remember the basic steps

Sequence of input steps for a
simulation problem

Basic computational elements in

process simulator

Select chemical components 1

SRK result

Component database

Thermodynamic
model solver

Flowsheet builder

Unit operation block

builder

Data output
generator

Flowsheet solver

NRTL result

Quite a huge difference!!!

Select thermodynamic model 2

3

Select units and select feed

stream properties

Select equipment parameters 5

Select output display options 6

* Other commonly found features: file control

options, eng units options, data regression, etc.
H83PS1 Process Simulation 1

Input topology of flowsheet

Select convergence criteria and

7
run simulation

(Turton et al., 1998)

H83PS1 Process Simulation 1

Lecture 3 - 21

Lecture 3 - 22

Hypothetical components
(1) To create components
not available in Hysys
(hypothetical
component)

New component
registration

(2) Click to create

and edit hypos

(3) Click to create

a New Hypo

(4) Rename
as Sulphur

H83PS1 Process Simulation 1

Lecture 3 - 23

H83PS1 Process Simulation 1

Lecture 3 - 24

Hypothetical components

Notes on hypo component

q Essential properties that may be used to

estimate other unknown properties:

(1) Click to open

Hypotheticals Manager

Specific boiling point @ specific density

Molecular weight

q HYSYS will generate other properties once

(2) Under the Settings tab,

select Sulphur_Component and
close the Hypotheticals Manager

the above are provided.

q However, it is important to include as many
properties as possible in order to generate a
reliable model.

H83PS1 Process Simulation 1

Property estimation
(1) Include only MW (256.53)
& density (2000 kg/m3)

H83PS1 Process Simulation 1

Lecture 3 - 25

Property estimation
Data from literature
for comparison with
HYSYS-estimated
data:
Tc = 1903.64 F (1039.8 C)
Pc = 2631.71psia (18145 kPa)
Vc = 2.5309 ft3/lbmol
(0.158 m3/kgmol)
Acentricity = 0.2461

(2) Click to estimate

unknown properties

(1) Key in these

literature data:
Tc = 1903.64 F (1039.8 C)
Pc = 2631.71psia (18145 kPa)
Vc = 2.5309 ft3/lbmol
(0.158 m3/kgmol)
Acentricity = 0.2461

(3) Change the normal

boiling point (444.6C) to
re-estimate the properties

(2) Re-estimate unknown

properties again

H83PS1 Process Simulation 1

Lecture 3 - 26

Lecture 3 - 27

(3) Double click on

Sulphur to view
properties
H83PS1 Process Simulation 1

Lecture 3 - 28

Pseudo components
q There are many complex mixtures that

contain hundreds of components.

q Pseudo components represent different
components of similar nature and
represented by the average of different
properties.
q HYPO components can be used to represent
pseudo components.

H83PS1 Process Simulation 1

Lecture 3 - 29

Try out there yourself

H83PS1 Process Simulation 1

Lecture 3 - 30

Tutorial 10 Cooling of sulphur

Add hypo comp to the flowsheet

q Thermo model: Peng-Robinson

q Feed stream: 100 kg/h of sulphur 50 C & 1 bar

q Cooler specification: Delta P = 0
Specify temp of
outlet stream (30C)
in order to calculate
the heat duty

Add hypo comp to the

flowsheet

H83PS1 Process Simulation 1

Lecture 3 - 31

H83PS1 Process Simulation 1

Lecture 3 - 32

User defined models

Time for exercise

H83PS1 Process Simulation 1

Lecture 3 - 34

Membrane separation

How to model these systems?

Membrane system

H83PS1 Process Simulation 1

Lecture 3 - 33

Stripping column

Wastewater
with NH3

Stripping air
with NH3 to
regeneration

Feed
Stripping
air
Wastewater
without NH3

Flux

Permeate

Retentate
H83PS1 Process Simulation 1

Lecture 3 - 35

H83PS1 Process Simulation 1

Lecture 3 - 36

User-defined models in HYSYS

User-defined models in HYSYS

Import user
models under
Custom tab
(2) Create Type

(3) Rename

H83PS1 Process Simulation 1

H83PS1 Process Simulation 1

Lecture 3 - 37

Lecture 3 - 38

Tutorial 11 Component Splitter

User-defined models in HYSYS

q Thermo model: UNIQUAC

q Feed stream:
Flowrate: 90 kg/h of ethanol; 10 kg/h of water
Temp: 95C; pressure: 1 bar
q Specification for Comp Splitter:
Parameter:
vCalculate Equal Temperatures
vEqualize All Stream Pressures

Split:
User coding is
required!
H83PS1 Process Simulation 1

vTop stream: 0.99 for ethanol

vBottom stream: 1.00 for water
Lecture 3 - 39

H83PS1 Process Simulation 1

Lecture 3 - 40

Tutorial 11 Component Splitter

Some notes to remember

Right click empty

section, select Add
Workbook Table/
Composition

q This is an ideal separation system (e.g.

membrane separation) for ethanol & water.

q The model does not make any sense if this is
to approximate a distillation column (where
the model is originally built for).

Component
splitter

H83PS1 Process Simulation 1

Lecture 3 - 41

H83PS1 Process Simulation 1

Lecture 3 - 42

Tutorial stripping (for practice)

Time for exercise

q 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.
q A stripping operation is used to remove the
dissolved VCM by a low pressure steam.

H83PS1 Process Simulation 1

Lecture 3 - 43

H83PS1 Process Simulation 1

Lecture 3 - 44

Tutorial instructions
q Register PVC as a hypo component (look for

physical properties yourself).

q Water stream condition:
Water flowrate: 4600 kg/h

Sub-flowsheets

PVC flowrate: 2700 kg/h

VCM flowrate: 380 kg/h
T = 50C; P = 1.1 bar

q Inlet steam specification: 400 kg/h; 1.1 bar,

120C
q 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

Lecture 3 - 45

H83PS1 Process Simulation 1

Lecture 3 - 46

Potential applications

Sub-flowsheets
q HYSYS has a multi-flowsheet architecture.

q Deal with a large flowsheet.

q A big flowsheet can be split up into smaller

q Incorporate multiple fluid packages for

sub-flowsheets.
q Each sub-flowsheet has its own streams,
operations, PFD and an independent fluid
package.
q The column in HYSYS is a sub-flowsheet
where independent operations are possible

H83PS1 Process Simulation 1

different sections.

Lecture 3 - 47

H83PS1 Process Simulation 1

Lecture 3 - 48

MCB separation process

Challenges

q Separation of HCl, MCB and Benzene.

Component

HCl
Benzene
MCB

Flow rate
(lbmol/hr)

Condition

10
40
50

800F

q Flash column

- Gas phase operation at 270 0F

- Gas and liquid phase are non-ideal

q Incorporate multiple fluid packages for

37 psia

q Flash column to separate vapor and liquid at 2700F

with a pressure drop of 5 psi.

q Combination of absorption and distillation to separate
MCB and Benzene.

H83PS1 Process Simulation 1

different sections.
q Absorption column
- Gas phase operation at 270 0F
- The liquid phase non-ideality is more significant

H83PS1 Process Simulation 1

Lecture 3 - 49

Final flowsheet

Lecture 3 - 50

Approach
q Form a template for flash column
q Insert the template to the main

flowsheet
q Use different fluid packages in flash
column and absorption column
q Chlorobenzene is used to absorb the

solvents.
H83PS1 Process Simulation 1

Lecture 3 - 51

H83PS1 Process Simulation 1

Lecture 3 - 52

Convert a whole
flowsheet

Templates

q Access the customize and select convert to

q A template is a special type of HYSYS case

template button.

that can be inserted as a sub-flowsheet into

other HYSYS design cases
q To create a template
Convert a whole flowsheet into a template
Create a new template
Convert part of a flowsheet into a template

H83PS1 Process Simulation 1

Lecture 3 - 53

H83PS1 Process Simulation 1

Lecture 3 - 54

Covert part of a
flowsheet

Create a new flowsheet

q From file menu, select new then template

q On PFD, select all the unit ops and streams

q Build a regular flowsheet

you want to capture

q Select move into subflowsheet

q When you save simulation save as .tpl. The

Template

flow sheet will be saved as a template

H83PS1 Process Simulation 1

Lecture 3 - 55

H83PS1 Process Simulation 1

Lecture 3 - 56

Installing a template in
a simulation

Installing a template in
a simulation

q Open the flowsheet

q Once the template is installed as a new sub-

q Click on blank subflowsheet icon on the object

palette and pick read an existing template and select

the template we just saved.

flowsheet, any subsequent changes will only

affect the new flowsheet.

For going back to

main flowsheet

To install template

H83PS1 Process Simulation 1

Lecture 3 - 57

Connections tab

Lecture 3 - 58

Connections tab

q Here, enter the feed and product connections

q Feed connections are the material or energy

between sub and main flowsheets

H83PS1 Process Simulation 1

H83PS1 Process Simulation 1

streams into the sub flowsheet and products

are out of the sub-flowsheet.
q Internal streams are streams in the subflowsheet and external streams are in the main
flowsheets.

Lecture 3 - 59

H83PS1 Process Simulation 1

Lecture 3 - 60