HYSYS SIMULATION

Zin-Eddine Dadach
2010-2011

Objective of the course

The purpose of this course is to introduce the
use of HYSYS as a modeling and analysis tool in
the Unit Operations Laboratory of the chemical
engineering program.
HYSYS can help the students perform lengthy
calculations in a manner of a few seconds.
Hence, students can make parametric analysis
and other evaluations with ease and can provide
a more in depth analysis of the performance of
unit operations in the laboratory.

WHAT IS HYSYS ?

HYSYS is powerful software for simulation of

chemical plants and oil refineries.

HYSYS can:
Estimate physical properties and liquid-vapor
phase equilibrium.
Simulate many types of equipments including
pumps, compressors, tanks, columns and reactors
Perform Material and Energy balances.
Equipments design
Cost estimation

HYSYS and Thermodynamics

The most important factor in the simulation of

chemical processes is certainly the physical properties,
particularly phase equilibrium required for modeling
distillation, stripping, absorption and extraction.
1) Basis:
a) First we enter all the components present in the
plant
b) we then have to select a fluid package or an Equation
of state from HYSYS
2) Simulation:
We enter the conditions and compositions to define
the system.

HYSYS :System
In HYSYS, students should first define the system ( Like
in Thermodynamics course)
HYSYS will help the students:
Define the composition of the system ( select
components from the data base)
Introduce known properties of the system ( Pressure,
temperature, flow, % vapor,) until the system is
completely defined. ( Light bleu Dark bleu)
For example: the enthalpy of a system will be calculated
by HYSYS if the temperature and pressure are known.
Alternatively, a student will be able to predict the
temperature of a system if the enthalpy and pressure
are known.

Basics Of Steady-State
Process Simulation

HYSYS is one the most popular Process

Simulator with ASPEN PLUS, CHEMCAD and
PRO/II
In this course, we will study only The steady
state Simulation. ( No dynamic simulation)
It is used to determine the temperatures,
pressures and compositions and total flow
at steady state
They also perform material and energy
balances.
They simulate the sizes and costs of
process units.

Process Flowsheets

Process Flowsheet ( Figure 4.1 page

109)
Collection of icons to represent process
units
Arcs to represent the flow of materials to
and from units
Emphasizes the flow of materials and
energy in a chemical process

PROCESS SIMULATION
To convert from a process flowsheet to a
simulation flowsheet, we should replace the
process units with the appropriate simulation
units
For each simulation unit, a subroutine ( block
or model) is assigned to solve its equations
Each simulator has an extensive list of
subroutines to model or solve the process unit
equations.
Partial List of these subroutines are
represented in Table 4.1 pages 114-115

Simulation Flowsheets

Simulation Flowsheet:
( Figure 4.2c page 111)
Collection of simulation units to represent
computer programs ( Subroutines or
models) that simulate the process units
and arcs to flow of information among the
simulation units

Simulation Flowsheet
The arcs in simulation flowsheet represent
the transfer of flow rates, temperature,
pressure, enthalpy, entropy, and vapor
and liquid fractions for each stream
The stream names can be thought of as
the names of vectors that store stream
variables in a specific order ( example for
ASPEN page 112)

HYSYS SIMULATION
The icons in Figure 4.2c represent
simulation units For HYSYS
In Figure 4.2c, for HYSYS.Plant, the unit
names are in upper case and the model
names are tabulated separately in
boldface ( Page 111)

Example: Methanol Column

STARTING WITH HYSYS

INTRODUCTION
Before any simulation can occur, HYSYS
needs to undergo an initial setup.
During an initial setup or BASIS, you
should introduce:
The components that will be used

The

fluids package will be selected.

Starting a NEW CASE

Starting a New Case in HYSYS
Start HYSYS, and click on the New Case
button to open up the Simulation Basis
Manager which is where all of the
components and their properties can be
specified.

Add Components

To add components to the simulation, click on the Add button in

the Simulation Basis Manager.
Clicking on Add will bring up the Component List View which is a
list of all the components available in HYSYS.
Type in the name of the desired component in the Match window
and click on Add Pure to add it to the simulation.
Close the Component List View when all of the components are
selected.
Note: The Full Name/Synonym option makes finding components
the easiest. To enter components by HYSYSs simulation names, or
by chemical composition, select Sim Name or Formula
respectively.

Example : Adding Benzene

Selecting Fluid Package

In the Simulation Basis Manager, click on

the Add button to specify a fluids
package.
Doing so will bring you to a list off all the
different equations of state HYSYS uses.
Pick the appropriate fluid package for the
system you wish to study.
To select the appropriate package,
double click on the text that is displayed.

Adding a Fluid Package

Fluids Package List

How to Select a Fluid Package

BASIS OF THE SIMULATION

The fluid package and the list components are
the BASIS of your simulation.
When the basis of the simulation has to be
changed, the Simulation Basis Manager needs
to be re-entered. Simply click on the icon
on the top toolbar to re-enter it.
If, during the simulation, you forget a
component or have a wrong one or you have
the wrong fluid package, you need to go back
to BASIS and make the corrections.

Working in the PFD

Entering Simulation:

Once the components, fluids package and applicable

reactions are selected, the Simulation is ready to be run.
Click on Enter Simulation Environment in the
Simulation Basis Manager window.

Accidentally Closing the PFD

Sometimes, you accidentally click the X on
the PFD.
To get it back, simply go to Tools >
PFDs
Make sure Case is selected,
Then click View

Material & Energy Streams

Placing Material Stream
Material Streams are used to transport the
material components from process units in
the simulation.
To place a material stream, click the Blue
arrow on the simulation toolbar and then
click somewhere on the turquoise
simulation window.

SELECTING A MATERIAL STREAM

Placing ENERGY Stream

Energy streams are used to specify how

much energy a process unit such as a
pump or compressor needs.
To place an energy stream, click on the
red arrow on the simulation toolbar, and
then place it on the simulation window.

SELECTING AN ENERGY STREAM

RENAMING STREAMS
In order to make the simulation easy to
follow, the streams need to be renamed.
Double click on the arrow to bring up the
properties window for stream 1.
To rename it, click on the tab next to
Stream Name and simply type in the
appropriate name for it.

SELECTING NAME OF STREAM

SELECTING PROCESS UNITS

To place process units, simply select them
from the Simulation Toolbar, and place
them on the PFD.
Note: If the cursor hovers over an item
on the toolbar, a text box appears; telling
which item is going to be selected.

EXAMPLE: SELECTING A
DISTILLATION COLUMN

Accidentally Closing the

Simulation Tool bar

Sometimes, people will accidentally click

the small X on the Simulation Toolbar. To
get it back click on the button to bring it
back.

DEFINE YOUR SYSTEM

In all chemical processes, a number of properties
or degrees of freedom must be specified.
To specify properties a stream, double click on
it to open up the specification menu. Select
the appropriate column and simply type in the
values of the specification.

Note: HYSYS allows you to enter in any unit

you wish. To specify the unit of the number
that is being entered in, simply click on the
arrow next to the unit to bring down a menu.
Simply select the desired unit to input

SELECTING PROPERTIES LIKE

TEMPERATURE, PRESSURE AND
MOLAR FLOW

SELECTING THE UNIT OF A FLOW

SELECTING A COMPOSITION

SYSTEM COMPLETELY DEFINED

When you selected enough variables to define

your system:
You see GREEN LIGHT IN THE PFD
HYSYS calculates for you the other variables.
The values in BLUE are your selected
parameters and can be changed.
The values in BLACK are the values
calculated by HYSYS and can not be
changed.

System defined and Green light

Workbook
To

get a more in-depth, printable view the

stream properties, HYSYS can create a
workbook.
To create a workbook, clicking Tools >
Workbooks will bring up the workbook
selector.
Double click on Case to bring up a
summary of all the properties on the
process and energy streams.

Add properties in Workbook

To add additional properties not displayed by

default, click on Workbook > Setup in the
main tool bar.
Once there, click on Add under the Variables
section and scroll down until the desired
property is located.
Close the Setup window and the workbook is
now updated with the desired properties.
Note: The Workbook option in the main
tool bar will only be present if the workbook is
open

Printing
To print the workbook, leave it open and
go to File > Print in the main toolbar.
If the entire workbook doesnt need to be
printed, click on the + and deselect the
undesired sections,
Then click Print.

Class work #1
A

feed ( 20 lbmoles/hr) of a mixture

propane and n-butane containing
70% ( mass) propane at 20 atm,
using the Peng Robinson, find:
the dew point
the temperature when the vapor
fraction is 0.7

Class work #2
A feed ( 10 lbmoles/hr) of an
equimolar mixture of n-pentane and
n-hexane is at 10 atm , Using the
Peng Robinson, find:
the bubble point
the temperature when the liquid
fraction is 0.7

Class work #3
A feed containing 50 lb/hr of npentane and 140 lb/hr of n-hexane is
at 160 psia, using the PengRobinson, find the temperature to
have :

a) 30% liquid

b) at dew point

Flash-Separation
VAPOR-LIQUID EQUILIBRIUM

Flash separator from CD

This session is meant to introduce you to

the use of Hysys for Steady state
simulation.

Thermodynamics ( K values) and

introduction to separation from CD

FLASH CALCULATION
BY UNISIM

An important feature of flowsheet

simulators is the ability to determine
automatically the equilibrium phase
distribution among vapor, liquid, and/or
solids for each stream in the process by
performing a flash calculation, which
makes use of the equilibrium coefficients
( K values)

K VALUES

For example, vapor-liquid equilibrium

coefficient are defined by Kj= yj/xj

yj = mole fraction of species j in the vapor phase

xj = corresponding mole fraction in the liquid
phase at equilibrium

EXAMPLE
ACETONE + WATER MIXTURE

Initial Step

Insert water and acetone in the

component list

Choose the Antoine Package as the fluid

package

ENTER SIMULATION
Click on Enter Simulation Environment
Button.
This will put you in the PFD ( Process Flow
Diagram) mode.
You can create a flow-sheet on this
screen.
You will also see a menu-bar of available
unit operations on the right. ( Called the
Object Pallette).

SIMULATION
Click

on the Separator icon from this tool

bar and then bring your cursor to the PFD
area and click once to place this unit on
the flow-diagram.

OPEN THE SEPARATOR

double click on this new block ( V-100) to
open this object. This object has the
following tabs:
Design/Reactions/Rating/Worksheet/Dyna
mics.
Under Design, we have the menu choices:
Connections ( currently active as shown
above)/Parameters/User Variables/Notes.

SEPARATOR

Adiabatic/ Isothermal flash

In adiabatic flash No heat exchange

with the surroundings. Put the name of
the duty and the value zero (0) in the duty
of the separator

In isothermal flash Put a name for

separator duty and put the outlet
temperature equal to inlet temperature.

Example of adiabatic flash

Enter the pressure drop as 10 psia and the

Heat Duty as 0. This creates an Adiabatic
Flash.

FEED CONDITIONS

On the Worksheet tab and enter the feed

stream conditions.

FEED CONDITIONS & RESULTS

Case study on CD

FLASH CALCULATION

Class work #4
FLASH CALCULATION:
A feed of equimolar mixture of nC5 and
nC6 is at 1300F and 73.5 psia with a feed
of 1lbmole/hr.
The feed is flashed at 1200F and 13.23 psia.
Calculate the composition of the vapor and
liquid phase from the flash column

Class work #5

A Saturated vapor at 250 psia and 10,000 lb/hr contains

80% NH3 and 20% H2O.

The feed is cooled in a condenser where 5.8 106 BTU/hr

is removed from the feed and the pressure drop in the
cooler is zero.

The feed then is flashed through a valve and a flash

drum where the pressure drop in the valve is 150 psia

Calculate the composition of the liquid and gas phase of

the flash drum

HEAT EXCHANGERS

From CD
Overview
Theory

Adiabatic heat exchanger

For an adiabatic heat exchanger (no heat
transferred with environment), there are
three equations for the duty Q, i.e. the
rate of heat exchange between the two
process streams:
Q = Nps (Hps,in Hps.out )
(1)
Q = Nus (Hus.out Hus,in )
(2)
Q = U.A.F.Tavg
(3)

Q is the rate of heat exchange (e.g., in kJ/h)

N is the flow-rate of stream (e.g, in kmol/h)
H is the specific enthalpy of stream (kJ/kmol)
U is the overall heat transfer coefficient
(kJ/m2.K)
A is the heat exchange area (m2)
F is the correction factor for the deviation from
co-current or countercurrent flow
See, for example, Figure 11-4 in Perry's)

NEED only the duty Q

CHOOSE

HEATER OR COOLER

Define the conditions of the stream before

and after the heat exchanger and the duty
Q is calculated by HYSYS.

CD

HEAT REQUIREMENT MODEL

Energy balance around the heat

exchanger

SHELL

AND TUBES HEAT

EXCHANGER MODEL

HEAT EXCHANGER DESIGN:

END POINT MODEL
"The End Point model treats the heat curves for
both Heat Exchanger sides as linear.
For simple problems where there is no phase
change and Cp is relatively constant
The main assumptions of the model are:
Overall heat transfer coefficient, U is constant
Specific heats of both shell and tube side
streams are constant

HEAT EXCHANGER DESIGN:

WEIGHTED MODEL

The Weighted model is an excellent model to deal with

non-linear heat curve problems such as the phase
change of pure components in one or both Heat
Exchanger sides.
With the Weighted model, the heating curves are broken
into intervals, and an energy balance is performed along
each interval. A LMTD and UA are calculated for each
interval in the heat curve, and summed to calculate the
overall exchanger UA.
The Weighted model is available only for counter-current
exchangers, and is essentially an energy and material
balance model. The geometry configurations which
affect the Ft correction factor are not taken into
consideration in this model.

CD

SHELL AND TUBES HEAT EXCHANGERS

CLASS WORK

TUTORIALS FROM CD

DISTILLATION BY UNISIM

yi / xi

yj / xj

Relative volatility :

(P, T )
y y ( P, T )
x x ( P, T )

Necessary for defining a column:

Operating

pressure of condenser
Operating pressure of reboiler
Reflux Ratio
Number of trays
Feed Tray

Shortcut theory for multicomponent

distillation
I) Define light and heavy keys
Example for DeC3 with feed components
ethane, propane, butane, pentane and
hexane
The light key could be propane
The heavy key could be butane
WE have binary-like distillation

Fenske-Underwood-Gilliland
To obtain initial estimates for multicomponent
distillation we use FUG equation
Relative volatility: Difficulty involved to separate
2 components
y /x
K

ij

Nmin

N m in

yj / xj

Kj

( xLK / xHK ) Distillate

( xLK / xHK ) Bottom

) x / KLx (

) x / KLx (

et allitsiD KH
m ott oB KH

ni m N

Its customary to use a geometric average of the

distillate and bottom streams

mean ( LK HK ) D * ( LK HK ) B

This value of is introduced in the previous equation

UNERWOOD EQUATIONS TO
CALCULATE Rmin
n

xFi
1 q

i 1 1 / LK _ HK
xDi
1 Rmin
1 /
LK HK

HK LK

STEP 1 = CALCULATE
n

xFi
1 q

i 1 1 / i HK

H evap

q= thermal state of the feed

Feed
q
Supercooled
1<q
Liquid-vapor
o<q<1
Superheated
q<0

= Latent heat of evaporation

Hevap= Heat necessary to evaporate the feed

DETERMINE A VALUE FOR ONCE q

IS DETERMINED
n

xFi
1 q

i 1 1 / i HK

H evap

STEP2 = CALCULATE RMIN

n

xFi
1 q

i 1 1 / i HK
n

xDi
1 Rmin

i 1 1 / i HK

HK LK
R 1.75 Rmin

ACTUAL NUMBER OF TRAYS

For known Nmin and Rmin Use EDULJEE equation

:

N N min
R Rmin 0.5688
0.75{1 (
)
}
N 1
R 1

OPTIMAL FEED TRAY

Kirkbride equation:
Calculate x in the first equation and substitute
in the second equation to estimate NF

F D ( xF ) HK ( xB ) LK 2 0.206
X (
.
.{
})
D ( xF ) LK ( xD ) HK
NX
NF
1 X

REACTORS IN HYSYS
1)

2)

CONVERSION
EQUILIBRIUM
3) KINETIC

STARTING POINT

ADD THE REACTION IN THE BASIS

BEFORE YOU ENTER SIMULATION
Go to Basis and select Reaction
Package
Select the reaction tab ( Conversion,
equilibrium, Kinetic,) of the Simulation
Basis Manager and click on Add
Reaction.

Five different reactions

There are currently five different types of
reaction that may be simulated in HYSYS
and a number of reactor types that they
may be used with (and one special reactor
that does not require any equations).
The five reaction types are as follows:

Conversion Reaction

This reaction type does not require any

thermodynamic knowledge. You must input the
stoichiometry and the percentage of
conversion of the basis reactant.

The reaction will proceed until either the

specified conversion has been reached or a
limiting reagent has been exhausted.

Conversion reactions cannot be used with Plug

Flow Reactors or CSTRs. In general, they should
only be used in Conversion Reactors.

Equilibrium Reactions

Equilibrium reactions require that you

know some sort of relation between the
reaction's equilibrium constant, Keq,
and temperature. You may specify Keq
in a number of ways:

EQUILIBRIUM REACTIONS
1) As a constant. Enter either Keq or
Ln(Keq)
2) As a function of Temperature. You
specify A-D in the equation :
Ln(Keq) = A + B/T + C*Ln(T) + D*T

Equilibrium Reactions
3) As tabular data of Keq vs. T

4) Have HYSYS determine Keq from the Ideal Gas

Gibbs Free Energy Coefficients. This is similar to,
but not exactly like what you get by attaching
any equilibrium reaction to a Gibbs Reactor
(which just takes the stoichiometry).
5) You may also search for the reaction among the
pre-defined reactions in the HYSYS library
(reached from the Library Page of the
Equilibrium Reaction window)

Kinetic Reactions

All three of the remaining reaction types

can be considered kinetic, in that they
deal with an expression for the rate of the
reaction.

KINETIC REACTIONS
In

this first and simplest form, the rate equation

is the one to the left
The first term on the right hand side refers to
the forward reaction, the second term to the
optional backward reaction.
The

k's are the reaction constants for which you

must enter on the Parameters Page the
activation energies, E and E', and the preexponential factors, A and A' (which are basically
all of the constants lumped out front).

ADDING REACTIONS

Adding reaction

EX: adding an Equilibrium reaction

Entering the reaction

1.
2.

3.

4.
5.

When the Reaction window appears:

select the components which are present
during the reaction, and enter their
Stoichiometric Coefficient.
Keep in mind that the reactant must have a
negative coefficient and products must have
positive coefficient
Click Balance to check the guesses.
Notice status of the reaction goes from not
ready to ready. Close the window.

EX: Conversion reaction

Click on Basis Tab

Enter the specifications of the reaction:

Example: for conversion reaction. Enter

the percentage of conversion

ADDING THE REACTION SET

Click on Add Set and then add Rxn

1 to the Active List.

Final Step :ADDING TO FP

Click Add to FP, make sure that fluid

package is selected and click Add Set to
Fluid Package.
Now the simulation is setup.
Click on Enter Simulation Environment
to go to the PFD and start the
simulation.

Three kinds of reactors

Conversion Reactors
Equilibrium Reactors
Kinetic Reactors

CONVERSION REACTOR

WHEN TO USE IT?

WHEN YOU HAVE A REACTION WITH
STOCHIOMETRY
WHEN YOU HAVE A CONVERSION
A CONVERSION REACTOR CANNOT BE A
PLUG FLOW OR A CSTR REACTOR
THEY ARE CALLED CONVERSION
REACTORS

Example of case study

A stream of pure methane at 400 bar and

87 C and flowing at 32 kg/hr enters in a
reactor, where it undergoes combustion.
There is excess air in the reactor and the
conversion is 95%.

INITIAL STEP
Start a new case in HYSYS
Select methane, oxygen, nitrogen, water,
and carbon dioxide as the components.
Since these components are all gasses,
select the Peng-Robinson fluid package.
Select the reaction tab of the Simulation
Basis Manager and click on Add
Reaction.

Add Reaction

CONVERSION REACTION

Since this is a conversion reaction, select

it from the list.

stoichiometry

Select all of the components that are

present for the combustion of methane,
and enter in guesses for their
stoichiometric coefficients, keeping in
mind that the reactants, methane and air,
must have negative coefficients. Then
click Balance to correct the coefficient
guesses

STOICHIOMETRY

Percentage of conversion

Now the conversion needs to be

specified. Click the basis tab, and enter
in 95 under Co.
Take note that the conversion has to be
in percentage form, not decimal form.
The reaction now goes from Not Ready
to Ready.

NOTE
You will see a conversion equation below
the component windows that looks like
Conversion (%) = Co + C1*T + C2*T^2;
Here the conversion is just a straight 95%
conversion so only a Co is needed,
However, if there was a 1st &/or 2nd
order temperature dependent conversion
values for C1 and C2 would need to be
added.

Reaction is ready

Click on Add Set and add Rxn 1

to the Active List.

Add reaction to fluid package

Click Add to FP, make sure that PP:

Peng-Robinsion is selected and click Add
Set to Fluid Package.

Connecting the reactor

Double click on the Conversion Reactor

to bring up its connection menu.

CLASS WORK #1

STYRENE IS MADE BY DEHYDROGENATION OF

ETHYL-BENZENE FOLLOWING THE REACTION:
C6H5-C2H5 C6H5=C2 H3 + H2

THE FEED ( 217 GMOLES/S) AT 880K AND

1.378 BARS ENTERS THE REACTOR
o IF WE WANT TO CONVERT 80% OF ETHYLBENZENE, FIND THE FLOWRATES AND
COMPOSITION OF THE PRODUCTS
o

CLASS WORK #2:FROM CD

2 moles of Hydrogen react with 1 mole
monoxide carbon to produce methanol
We assume 70% conversion of monoxide
carbon in an ISOTHERMAL REACTOR
The feed has a temperature 300C, a
molar flow 70 kgmole/hr and a pressure of
10000KPa

Class work #3

Combustion of methane with air with

95% conversion of methane
Methane enters the reactor at 400 bar,
87 C, and has a flow rate of 37 kg/hr.
Oxygen enters the reactor at 1 atm, 25
C, and is in excess with the methane.

EQUILIBRIUM REACTOR

WHEN TO USE IT?

WHEN YOU KNOW THE RELATIONSHIP BETWEEN THE

EQUILIBRIUM CONSTANT KEQ AND TEMPERATURE
YOU MAY SPECIFY KEQ IN DIFFERENT WAYS:

KEQ IS A CONSTANT: ENTER EITHER KEQ OR LN ( KEQ)

AS A FUNCTION OF TEMPERATURE:
LN( KEQ)= A + B/T + C.LN (T) + D.T ( T IN KELVIN)
A TABULAR DATA OF KEQ VS TEMERATURE ( HYSYS)
HAVE HYSYS DETERMINE KEQ FROM THE IDEAL GAS GIBBS FREE
ENERGY COEFFICIENTS YOU HAVE GIBBS REACTOR
SEARCH IN HYSYS LIBRARY FOR PREDEFINED REACTIONS

EQUILIBRIUM REACTORS
EQUILIBRIUM REACTOR CANNOT BE A
PLUG FLOW OR CSTR REACTOR
THEY ARE CALED EQUILIBRIUM
REACTORS
GIBBS REACTOR IS USED WHEN K IS
BASED ON THE IDEAL GAS FREE ENERGY
COEFFICIENTS,

EXAMPLE
Equilibrium Reactors
A 100 kg-mol/hr feed containing 50 mol%
Nitrogen and 50 mol% Hydrogen entering
at 1 atm and 50 C is to undergo an
equilibrium reaction to produce ammonia.

INITIAL STEP

Select Nitrogen, Hydrogen, and

Ammonia as the components.
Since these components are all gasses,
select the Peng-Robinson fluid package.
Select the reaction tab of the Simulation
Basis Manager and click on Add
Reaction.

Adding Reaction

Stoichiometry

When the Equilibrium Reaction window

pops up, select the components which
are present during the reaction, and
enter in guesses for their Stoichiometric
Coefficient.
Keep in mind that the reactants,
Nitrogen and Hydrogen, must have a
negative coefficient. Click Balance to
check the guesses.

Keq=Equilibrium Constant
If Keq is a fixed number
If the Equilibrium Constant Keq is known it
can be entered into HYSYS directly by
selecting the Fixed Keq option. Then
select the Keq tab. Once there enter in
the Keq constant directly in, and the
reaction is ready.

If a Ln(Keq) equation is known

If a temperature dependant Ln(Keq)

equation is known, itcan be entered into
HYSYS as well. Select Ln(Keq) and then
select the Keq tab. Once there enter in
the equation constants can be entered in
to the A, B, C etc tabs as shown in the
equation to the right.

TABULATED VALUES

FROM HYSYS LIBRARY

If the reaction is in HYSYS's Reaction Library
HYSYS has tabulated equilibrium data for several
common equilibrium reactions.
When setting up an equilibrium reaction, always check to
see if the reaction is in the reaction library, as it is the
most accurate method of solving.
To use a reaction from the equilibrium library, select the
Keq vs. T table option, and then select the Library tab.
Once there, scroll through the list of reactions and check
to see if it is there. If it is there, select it and press Add
Library Reaction

Adding reaction to active list

Adding set to FP

GIBBS REACTORS

GIBBS REACROR IS AN EQUILIBRIUM

REACTOR USING GIBBS FREE ENERGY

Class Work

A feed containing 3 kgmol/hr Ethane and

1.5 kgmol/hr water entering at 1 atm and
3500C is to be cracked into Ethylene and
Hydrogen using a Gibbs reactor.

SOLUTION

Initial Setup
Start a new case in HYSYS
Select Water, Ethylene/Ethene, Ethane, and
Hydrogen as the components.
Since these components are gasses at high
temperatures, select the SRK fluid package.
Select the reaction tab of the Simulation Basis
Manager and click on Add Reaction.

Adding Reaction

Feed Specifications

Specify the feed stream. It is at 1 atm,

350 C, has a ethene molar flow rate of
3 kg-mols/hr, and a water molar flow
rate of 1.5 kg-mols/hr.

Selecting reaction type

Since Gibbs reactions are Equilibrium

reactions, select Equilibrium from the
menu

Adding stochiometry
1.

2.

3.

When the Equilibrium Reaction window pops

up, select the components which are present
during the reaction, and enter in guesses for
their Stoichiometric Coefficient.
Keep in mind that the reactant, Ethane, must
have a negative coefficient. Click Balance to
check the guesses. Notice status of the
reaction goes from not ready to ready.
Close the window.

Adding stochiometry

Add your reaction SET

Click on Add Set and then add Rxn

1 to the Active List.

Add Set to Fluid Package

Click Add to FP, make sure that PP:

SRK is selected and click Add Set to
Fluid Package.

Adding the Feed to PFD

Place the feed ( material Stream)

Gibbs Reactor

Double click on the Gibbs Reactor to

bring up its connection menu.
Connect the Feed to inlet and add the
liquid and vapor streams to their
appropriate locations.

Adding the reactor

Connections of Gibbs Reactor

NOTE

Check the Reactions tab, and as long as

Gibbs Reactions Only is selected, no
further specifications are necessary.

FEED SPECIFICATIONS

Specify the feed stream. It is at 1 atm,

350 C, has a ethane molar flow rate of 3
kg-mols/hr, and a water molar flow rate of
1.5 kg-mols/hr

Cracking reactions

For cracking reactions, temperatures

around 1000 C are needed.

Class work
A feed containing 3 kg/mol-hr Ethane and
1.5 kg-mol/hr water enters a Gibbs
reactor at 1 atm and 350C and is to be
cracked into ethylene and hydrogen (
WATER DOES NOT REACT).
Use SRK equation of state
The problem here is to determine the
reactor temperature for a desired
conversion.

KINETIC REACTORS
PLUG FLOW
CSTR
LANGMUIR HINSHELWOOD