Lecture 2 (16-17) - Intro To HYSYS

Outline
q Modelling for:
Separation unit Shortcut distillation
Recycle loops
Heat Exchanger Network
Introduction to
HYSYS
H83PS1 Process Simulation 1
Lecture 2 - 1
Lecture 2 - 2
Purification of n-octane
The Onion model
Reactor
Do we need
to specify
this stream?
Separation &
recycle
q In Example 2, it is observed that there are
significant amount of n-octane present in the

distillate stream, it should be recovered as
product.
Heat exchange
network
Utilities
(Linnhoff et al., 1982;

Smith 1995, 2005)
Lecture 2 - 3
q Short Cut Distillation will be used for
purification purpose.
Short Cut
Distillation
Column
(Foo et al., 2005)
Lecture 2 - 4
Distillation column specification
Connecting streams
q Condenser type: Partial Condenser

q Light key: ethylene (0.0001 in bottom stream
q Heavy key: n-octane (0.0500 in distillate
stream)
q Column pressure:
v15 psia (condenser)
v25 psia (reboiler)
1) Double click
the column
2) Column name
may be changed
(optional)
5) Enter 4 for
Distillate
3) Select
stream 2 for
Inlet
q External reflux ratio (RR) = 1
4) Enter Q101 for

Condenser Duty
6) Enter Q102 for

Reboiler Duty
7) Enter 5 for
Bottom
Lecture 2 - 5
Set for partial condenser
Distillation specification
1) Click the
parameter tab
Vapour stream
emits from the
condenser
Change top product

to be vapour phase
(partial condenser)
Lecture 2 - 6
Lecture 2 - 7
3) Column pressure:
15 psia (condenser)
25 psia (reboiler)
2) Light key:
ethylene (0.0001 in
bottom stream
Heavy key:
n-octane (0.0500 in
distillate stream)
4) External reflux
ratio (RR) = 1
Lecture 2 - 8
Results : Workbook
Time for exercise!
Lecture 2 - 9
The Onion model
Introduction
q Reasons why recycle stream(s) is needed
(Felder & Rousseau, 2000):

Unconsumed reactants can be reused to
minimise fresh intake (chemical reaction rarely

proceeds to completion)
Catalyst recovery
Dilution of a process stream
Control of process variable
Circulation of a working fluid
Reactor
Separation &
recycle
Heat exchange
network
Utilities

Smith 1995, 2005)
Lecture 2 - 11
q Recycling is often the cause of unconverged
flowsheet simulation.
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Lecture 2 - 12
Types of recycle streams
Simulation of recycling system with SM
Material recycle
Tear recycle stream
r1
r2
Recycle stream
Heat recycle
Unit operation
in simulator
(Turton et al., 1998)
Lecture 2 - 13
Lecture 2 - 14
Standardise Specification
Simulation of recycling system with SM

q Basic algorithms in handling a recycle
stream:
Before the Equipment C is solved, some
estimation of stream r must be made a tear

stream occurs.
Provided information is supplied about Stream
r2, we can solve the flowsheet all the way to
Stream r1 by using sequential modular approach.
Compare Streams r1 and r2.
If r1 & r2 agree within some specified tolerance
we have a converge solution
Or else, r2 is modified & simulation is repeated
until convergence is obtained.
Lecture 2 - 15
Lets standardise
the specification for
key components:
Ethylene in
bottom: 0.0015
n-octane in
distillate: 0.2800
Lecture 2 - 16
Adding recycle & purge streams
Adjusting the stream pressure
Question: why a
purge is needed?
15 psia
90% recovery
20 psia
Procedures:
1. Add a stream splitting model (Tee)
2. To rotate the Tee by 270, click 3
3. Double click Tee, select Stream 4 for
inlet; and enter 6 & 7 for outlet
streams.
4. In the Parameters page, set 0.9 for the
flow ratio of stream 6.
5. Change the direction of stream 6 by typing
Y or 2
6. Save file as Example 5.
Stream splitter
model: Tee
Lecture 1 - 17
Adjusting for stream temperature
Procedures:
1. Add a Compressor.
2. Change the direction of the
Compressor: type Y
3. Double click the Compressor,
select Stream 6 for inlet; and
enter 8 for outlet & Q-103
for energy streams.
4. Change the direction of the
Stream 8: type 2
5. Double click stream 8 & specify
the outlet pressure as 20 psia.
Compressor
Lecture 2 - 18
Add a recycle unit
95.6C
93C
Cooler
Recycle unit this serves
as the convergence unit
Procedures:
1. Add a Cooler.
2. Change the direction of the Cooler:
right click/Transform/ Rotate by 180
3. Double click the Cooler, select
Stream 8 for inlet; and enter 9
for outlet & Q-104 for energy
streams.
4. In Parameter page, set Delta P as 0.
5. Double click stream 9 & specify the
outlet temperature as 93C.
Procedures:
1. Add a Recycle unit.
2. Change the direction of the Recycle: type
3
3. Double click the Recycle, select Stream
9 for inlet; and enter 10 for outlet.
Lecture 2 - 19
Lecture 2 - 20
Break Connection of Stream 1 and

Reactor
Add a Mixer to connect the recycle
1) Click Break Connection
Mixer
3) Double click the Reactor,

select Streams 11 for inlet.
2)Move the cursor to

stream 1 and left click
when appears
Procedures:
1. Add a Mixer.
2. Double click the Mixer, select Streams 10
& 1 for inlet; enter 11 for outlet.
Lecture 2 - 21
Lecture 2 - 22
Final Result
Please save all your simulation files

for possible future use!
Product
streams
Lecture 2 - 23
Lecture 2 - 24
Self Exercise - Ethyl Chloride production

Ethylchloride can be manufactured by the gas-phase reaction of HCl with ethylene over a
copper chloride catalyst: C2H4 + HCl C2H5Cl
Simulate the process using Aspen HYSYS. Assume ideal separation (use a flash for
separation).
What is the product flowrate in this case?
R
25oC
W = 10
kmol/h
Modelling of recycle system

FEED
1 atm
25oC
100 kmol/h
50% HCl
48% C2H4
2% N2
S2
90% C2H4
conversion
Catalytic reactor
P = 0
Isothermal
S3
Flash column
(Ideal separation)
S4
1 atm
6oC
P
Question: What is the
flowrate of C2H5Cl?
Lecture 2 - 25
Exercise 1 isomerisation process
Lecture 2 - 26
Mass balance equations

q Given the following variables:
mi ,j = molar flowrate of Component i in Stream j
X = reactor conversion
ri = fractional recovery of Component i
q Mass balance equations for each unit may be written as:
Mixer:
q In an isomerisation process, component A is converted to
component B.
q The mixture from the reactor is separated into relatively
pure A (which is recycled) & relatively pure product B.
q No by-products are formed and the reactor performance can
be characterised by its conversion.
q The performance of the separator is characterised by the
recovery of A to the recycled stream (rA) and recovery of B
to the product (rB).
(Smith, 2005)
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Lecture 2 - 27
mA,2 = mA,1 + mA,5

mB,2 = mB,1 + mB,5
Reactor:
mA,3 = mA,2(1 X)
mB,3 = mB,2 + XmA,2
Separator:
mA,4 = mA,3(1 rA)

mA,5 = rAmA,3
mB,4 = rBmB,3
mB,5 = mB,3(1 rB)
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Lecture 2 - 28
Strategy with SM approach
Data given
q Given the following values:
mA,1 = 100 kmol; mB,1 = 0 kmol
X = 0.7
rA = 0.95; rB = 0.95
q Assume the flowrate of component A and B in the recycled
q Calculation sequence in SM: .

q However, problem is encountered at the mixer, as the
flowrate & composition of the recycle are unknown.

q Strategy using SM approach:
Tear the recycle streams

Add a recycle convergence unit/solver in the tear stream.
Estimate the component molar flowrates of the tear stream. This
allows the material balance in the reactor and separator to be solved,

& provide the molar flowrates for the recycle stream.
The calculated and estimated values of the tear stream are compared
to test whether errors are within a specified tolerance.
stream (stream 5) as follow:

mA,5 = 50 kmol
mB,5 = 5 kmol
q Setting at the recycle convergence unit/solver iteration
stops when the scaled residue is smaller than a specified

tolerance (1 x 10-5 for this case). Scaled residue is given as:
Scaled residue =
Calculated value - estimated value

Estimated value
(Smith, 2005)
(Smith, 2005)
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Lecture 2 - 29
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Lecture 2- 30
Recycle simulation with spreadsheet
Time for exercise!
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Lecture 2 - 31
Lecture 2 - 32
Strategy to converge recycle loops
1. Analyse the flowsheet
q Few simple steps to converge recycle
systems faster & easier regardless of the no

of equipment modules and streams:
Determine if any recycle

stream exist.
1. Analyse your flowsheet

2. Provide estimates for recycle streams
3. Simplify your flowsheet
4. Avoid over-specifying mass balance

5. Check for trapped material
6. Increase number of iterations
q Lets visit them one by one

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(WinSim, 2002)
Lecture 2 - 33
1. Analyse the flowsheet
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Lecture 2 - 34
2. Provide estimates for recycle streams

q Once recycle streams (or tear
q The feed streams condition is given.

q If we calculate the flowsheet straight through
(from Units 16), which stream(s) do we need

to specify in order to complete the calculation?
q What if we change the calculation sequence to
start with Unit 4?
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Lecture 2 - 35
streams) are determined, enter

estimates for its T, P, flowrate &
composition for each recycle
stream.
q Example 1: Stream 3 has the same
composition & flowrate as the
feed stream. We should have a
good guess for its T & P, since it
is the outlet from a heat
Example 1
exchanger.
q Example 2: Instead of estimating
the recycle stream, we may also
guess the reactor inlet stream.
Example 2
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Lecture 2 - 36
3. Simplify the flowsheet
3. Simplify the flowsheet
q Substitute Short Cut Distillation for rigorous
q In the 1st trial to determine if a process is
distillation columns.
q If a rigorous distillation column is in the
flowsheet, converge it as a stand-alone unit first.
q Decouple heat recycle(s) use utility exchanger
to simplify the problem first
feasible, there is no need to include every valve,

utility stream flowrates, etc.
q A flash unit with recycle requires multiple
iterations before it is solved simplified to get
the same answer with no recycle.
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Lecture 2 - 37
Lecture 2 - 38
Which is the best option ?
q Stream splitting model is frequently used to
set the rate of a purge/recycle stream.

q Example: setting a flowrate for Stream 8
may prevent the recycle from converging
unless you happen to make a lucky guess.
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Lecture 2 - 39
q Set the flowrate of the recycle stream (S9)
GOOD
q Set the flow fraction of the recycle stream (S9)BETTER
q Set the flow fraction of the product stream (S8) BEST
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Lecture 2 - 40

q In a distillation train, specifying product rate
for each columns may be over constraining the

overall mass balance for the flowsheet.
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Lecture 2 - 41
q Components in the
middle boiling range

are building up in the
system (does not exit
the flowsheet).
q In the example
flowsheet, water is
trapped.
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Lecture 2 - 42
6. Too few iterations
q When you have an unconverged recycle loop,
q Many flowsheets will converge easily within
check the material balance summary first to see

which components have the largest error.
q Which direction is the error making more
flow or less leaving the process than entering?
q Review the recycle convergence history for the
last few iterations:
Are the flowrates and errors oscillating?
5 to 10 iterations.
q If you have a recycle loop, which is
unconverged after 10 iterations but is
approaching convergence, be sure to update
the recycle stream guesses for T, P, flowrate
and composition.
Is there a steady increase/decrease of the
unconverged components?
It may be necessary to change process conditions or
change the location of 1 or more product draw-offs.
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Lecture 2 - 43
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Lecture 2 - 44
Some notes about Recycle model
Convergence setting in Recycle model

Variables
Vapour Fraction
Temperature
Pressure
Flow
q Most simulators (e.g. Aspen Plus, ChemCad,
DESIGN II, PRO/II) will not show the

convergence unit in the flowsheet. However,
the tear stream concept applies in all
sequential modular softwares.
q Exceptional for HYSYS, where recycle
convergence unit(s) are positioned by the
user and appear explicitly in the flowsheet.
(Seider et al., 2003)
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Lecture 2 - 45
Nested vs. simultaneous options
Enthalpy
Composition
Entropy
Internal tolerance
0.01
0.01 C
0.01 kPa
0.001 kmol/s
(relative tolerance)
1.00 kJ/s
0.0001
0.01
q The sensitivities values (that the users enter) serve as a multiplier
for HYSYS internal convergence tolerances (default setting).

q Example: the internal tolerance for T is 0.01 and the default
multiplier is 10 absolute tolerance used by the Recycle
convergence algorithm = 0.01 x 10 = 0.1. Therefore, the assumed T
and the calculated T must be within 0.1C of each other if the
Recycle is to converge.
q A multiplier of 10 is recommended for most calculations.
q Values <10 are more stringent; i.e., the smaller the multiplier, the
tighter the convergence tolerance.
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Lecture 2 - 46
Common convergence methods
q Nested option (default):

Recycle being called
whenever it is
encountered during the
calculations.
Use when there is single
recycle operation, or
multiple recycles which
are not connected.
q Simultaneous option:
All recycles to be invoked at the same time once all
recycle streams have been calculated.
Use when there are multiple inter-connected
recycles.
substitution & Wegstein methods.

q Direct substitution an initial value is estimated, the
calculated value then becomes the value for next iteration.
q Wegstein method accelerates the convergence of iteration.
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Lecture 2 - 47
Direct substitution
(approach used in
Tutorial 5)
Wegstein method
q All recycle convergence in simulators implement direct
Lecture 2 - 48
Wegstein acceleration
q The direct substitution iterations are
linearised.
q A straight line equation is written for
2 iterations:
G(x) = ax + b
G (xk ) - G (xk -1 )
where a = slope of the line = xk - xk -1
G(xk) & G(xk-1) = calculated values for
iteration k & k-1; xk & xk-1 = estimated
values for iteration k & k-1.
q The intersection is required with the equation: G(xk-1) = xk-1
q Substitute & rearrange the equations yield:
xk -1 =
a
1
xk G ( xk )
a -1
a -1
q Substitute Q = a/(a 1) gives:
xk-1 = Qxk + (1 Q) G(xk)
q Significant of Q:
Q = 0, direct substitution
is used.
Q < 0, acceleration is used
0 < Q < 1, damping
occurs.
q Typically, Q is bound between -20 & 0 to ensure
stability & reasonable rate of convergence.

q Other acceleration methods may be used when
equations being solved are highly non-linear & interdependent, e.g. dominant-eigencvalue, NewtonRaphson, Broydens quasi-Newton methods.
(Seider et al., 2003)
(Smith, 2005)
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Lecture 2 - 49
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Lecture 2 - 50
Contd example from Exercise 1
q HYSYS determines the actual acceleration
(Q) to apply based on the amount of change

between successive iterations. The values for
Qmax & Qmin set bounds on the amount of
acceleration applied.
q Tips: If the recycle is oscillating, a slightly
larger value for Qmax can be used to damp
the direct replacement.
q If Wegstein method is applied after 2
iterations:
42.7500- 40.6838
= 0.2850
50- 42.7500
a = slope = _________
a
= -0.3986
a
-1
Q = _________
Qx + (1 - Q )G (x
k
xk +1 = __________
___ k
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Lecture 2 - 51
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) = -0.3986 (42 .75 ) + (1 + 0.3986 )(40 .6838 ) = 39.8602

kmol
Lecture 2 - 52
The Onion model
Simulation of heat exchanger

network
Reactor
Separation &
recycle
Heat exchange
network
Utilities
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Smith 1995, 2005)
Lecture 2 - 54
Heat recovery potential
Open up your n-Octane exercise:
Heater
1.Move the
fresh feed
stream here
2. Set the inlet stream

temp to 30C.
3. Disconnect the
stream from the mixer
(click Break
Connection).
1. Lets standardise
the specification for
key components:
Ethylene in
bottom: 0.0015
n-octane in
distillate: 0.3500
Lecture 2 - 55
6. Heat removed from the

cooler (~27 MJ/h) can
be matched to the
energy needed by the
heater (~131 MJ/h).
2. Add a Heater & rotate it by 90.
3. Connect Stream 1 & energy
stream Q-105 to the heater.
Connect its outlet to the mixer.
4. Set the heater outlet temp to
93C & DP to 0.
5. Observe the heat load needed.
Lecture 2 - 56
Final heat integrated flowsheet
Remember what we have learnt before

Tear recycle stream
r1
Simulation starts
from here
r2
Recycle stream
However, both streams

are unknown!
Can we solve this without a Recycle convergence unit?
Unit operation
in simulator
(Turton et al., 1998)
Lecture 2 - 57
Tear stream
Lecture 2 - 58
Tear stream
Heat
exchanger
3. Add a new
imaginary
inlet stream to
the heater.
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Specify the imaginary stream to

match the specification of Stream 1
via Define from Other Stream.
Note: pressure & composition are
more critical than temp (due to the
existance of the heater)
1. Delete the cooler (E-100) & its

energy stream. Replace it with a
Heat Exchanger (rotate it by
typing Y) & reconnect the recycle
stream to the tube side. Set DP =
0 for both shell & tube sides.
2. Disconnect raw material stream
from the heater. Connect it to the
shell side of the heat exchanger
(add an outlet stream too).
Lecture 2 - 59
The imaginary
stream is exactly
the same as the
inlet stream
Lecture 2 - 60
Workbook results
Final flowsheet
1. Remove the imaginary inlet

stream of the heater.
2. Connect the shell outlet of the
heat exchanger to the heater.
Lecture 2 - 61
Do not just take the

computers word as it is, GIGO
principle applies to all
computer softwares!!!
Lecture 2 - 62

Lecture 2 (16-17) - Intro To HYSYS

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Outline

H83PS1 Process Simulation 1

H83PS1 Process Simulation 1

The Onion model

q In Example 2, it is observed that there are

significant amount of n-octane present in the

(Linnhoff et al., 1982;

q Short Cut Distillation will be used for

(Foo et al., 2005)

H83PS1 Process Simulation 1

Distillation column specification

q Condenser type: Partial Condenser

q External reflux ratio (RR) = 1

4) Enter Q101 for

6) Enter Q102 for

H83PS1 Process Simulation 1

Set for partial condenser

Change top product

H83PS1 Process Simulation 1

H83PS1 Process Simulation 1

Time for exercise!

H83PS1 Process Simulation 1

The Onion model

(Felder & Rousseau, 2000):

minimise fresh intake (chemical reaction rarely

(Linnhoff et al., 1982;

q Recycling is often the cause of unconverged

H83PS1 Process Simulation 1

Types of recycle streams

Simulation of recycling system with SM

H83PS1 Process Simulation 1

Simulation of recycling system with SM

Before the Equipment C is solved, some

estimation of stream r must be made a tear

H83PS1 Process Simulation 1

Adding recycle & purge streams

Adjusting the stream pressure

H83PS1 Process Simulation 1

Adjusting for stream temperature

H83PS1 Process Simulation 1

Add a recycle unit

H83PS1 Process Simulation 1

Break Connection of Stream 1 and

Add a Mixer to connect the recycle

1) Click Break Connection

3) Double click the Reactor,

2)Move the cursor to

H83PS1 Process Simulation 1

H83PS1 Process Simulation 1

Please save all your simulation files

H83PS1 Process Simulation 1

H83PS1 Process Simulation 1

Self Exercise - Ethyl Chloride production

Modelling of recycle system

H83PS1 Process Simulation 1

H83PS1 Process Simulation 1

Exercise 1 isomerisation process

Mass balance equations

q In an isomerisation process, component A is converted to

H83PS1 Process Simulation 1

mA,2 = mA,1 + mA,5

mA,4 = mA,3(1 rA)

H83PS1 Process Simulation 1