Soran University

Faculty of Engineering
Department of chemical Engineering

TYPE OF RECTION IN ASPEN HYSYS

Prepared by: Aram Nasih

Hemn Ibrahim
Yusf nuri
Dlawar mahmud

Supervisor by : Ms.Khadijeh
Q1/ Describe 'conversion reaction' with example and determine type of reactor used
for this reaction in Hysys (ARAM NASIH) :

Conversion reaction : A conversion reaction is the simplest type in HYSYS. A conversion reaction
operates on a stoichiometric basis and will run until either the limiting reagent is exhausted or until the
specified conversion has been achieved. These reactions do not function well with other reactions occurring
simultaneously and should be used exclusively with other conversion reactions (Reactions in HYSYS).
When specifying the conversion fraction it is important to use the percent form rather than the decimal
form; meaning input 50 rather than .5 for half conversion.

Example on conversion reaction by hysys :

step 1 :
Step 2 :

Step 3 :
Step 4 :

Step 4 :
Step 5 :

Step 6 :
Step 7 :
Step 8 :

Step 9 :
Step 10 :
Step 11 :

About which type reactor used in reaction :

Two commonly used reactors are the CSTR (continuous stirred tank reactor) and the PFR (plug flow reactor).
These reactors provide enough residence time for the reaction to take place with satisfactory conversion. In
such reactors, the reaction rate expression must be known determined. But I used the CSTR (continuous
stirred tank reactor) in my reaction which I did in aspen HYSYS.
Q 2/ Describe 'heterogeneous catalytic reaction' with example and determine type of
reactor used for this reaction in Hysys (YUSF NURI) :

A homogeneous catalyst is any catalyst that is present in the same phase as the reactant molecules. There
are numerous examples of homogeneous catalysts. The alkene but-2-ene can exist as one of two
isomers: cis where the methyl groups are located on the same side of the double bond, and trans where
the methyl groups are located on opposite sides of the double bond ( “Isomerization of But-2-ene”). To
convert (isomerize) between the two structures, the carbon-carbon double bond must be broken and the
molecule must rotate. This process has a relatively high activation energy of approximately 264 kJ/mol
and is therefore fairly slow to occur at room temperature. the type of heterogeneous reactor Is CSTR &
PFR. Used in HYSYS.

HYSYS Chemical Reactions & Reactors :

Reaction Type Description:
Conversion Conversion% ( X % = C0 + C1T + C 2T 2 )
Equilibrium K eq = f (T ) ; equilibrium based on reaction stoichiometry. K eq predicted or
specified
Gibbs minimization of Gibbs free energy of all components
Kinetic rA = −k f C A C B + k rev C R C S where the reverse rate parameters must be
thermodynamically consistent and rate constants are given by
k = AT n exp(− E RT )
Heterogeneou Yang and Hougen form:
s Catalytic  CrCs 
k  C Aa C Bb − R S 
− rA =  
K
1 +  K i Ci i
This form includes Langmuir-Hinshelwood, Eley-Rideal and Mars-van Krevelen
etc.
Simple Rate  CC 
rA = −k f  C A C B − R S  in which K eq is predicted from equilibrium data.
 K eq 
 

Reactor Types:
1) CSTR model reactors – Well Mixed Tank-Type
HYSYS Reactor Name Reaction Types (See above)
Conversion Reactor Conversion ( X % = C0 + C1T + C 2T 2 )
CSTR Simple Rate, Heterogeneous Catalytic, Kinetic
Equilibrium Reactor K eq = f (T ) ; equilibrium based on reaction stoichiometry. K eq
predicted from Gibbs Free Energy
K eq specified as a constant or from a table of values
Gibbs minimization of Gibbs free energy of all specified components,
option 1) no the reaction stoichiometry is required
option 2) reaction stoichiometry is given

2) Plug Flow Reactor: Simple Rate, Heterogeneous Catalytic, Kinetic

Q 3/ Describe 'equilibrium reaction' with example and determine type of reactor used
for this reaction in Hysys (DLAWAR MAHMUD) :

A chemical reaction is usually written in a way that suggests it proceeds in one direction, the direction in
which we read, but all chemical reactions are reversible, and both the forward and reverse reaction occur to
one degree or another depending on conditions. In a chemical equilibrium, the forward and reverse reactions
occur at equal rates, and the concentrations of products and reactants remain constant. If we run a reaction in
a closed system so that the products cannot escape, we often find the reaction does not give a 100% yield of
products. Instead, some reactants remain after the concentrations stop changing. At this point, when there is
no further change in concentrations of reactants and products, we say the reaction is at equilibrium. A mixture
of reactants and products is found at equilibrium.

For example, when we place a sample of dinitrogen tetroxide (N2O4, a colorless gas) in a glass tube, it forms
nitrogen dioxide (NO2, a brown gas) by the reaction

N2O4(g)⇌2NO2(g)N2O4(g)⇌2NO2(g)

The color becomes darker as N2O4 is converted to NO2. When the system reaches equilibrium, both N2O4 and
NO2 are present.
About the example we are doing by HYSYS :

Learn to simulate an equilibrium reactor in Aspen HYSYS. Ammonia production system (corresponds to 1
mole of nitrogen reacts with 3 moles of hydrogen to produce 2 mole of ammonia) is chosen for the simulation.
The system is then examined based on pressure and temperature conditions. Since, the system is exothermic
in nature, the increase in pressure leads to increase in % conversion, and increase in temperature leads to
decrease in % conversion of nitrogen to ammonia. Let’s do it by hysys step by step :
The reaction is N2 + 3H2 2NH3
About the type of reactor we are used this :
The Gibbs Reactor (like the one in Aspen) is unique among the reactors in that you are not required to enter
a reaction set for it to work. The Gibbs reactor works by finding the equilibrium state with the lowest Gibbs
Free Energy.
Q 4 / Describe 'kinetic reaction' with example and determine type of reactor used for
this reaction in Hysys (HEMN IBRAHIM)

All three of the remaining reaction types can be considered kinetic, in that they deal with an expression for
the rate of the reaction. Differentiating between the three becomes simply a matter of formulation. 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 pre-exponential
factors, A and A' (which are basically all of the constants lumped out front). The basis functions are not just
functions of the Base Component (which you set on the Basis ,but are the products of the concentrations (or
partial pressures, etc.) of any of the reactants or products to whatever power (negative numbers and decimals
are fine). For example, it just so happens that for the reaction

CO + Cl2 --> COCl2

the rate law might be rCO = k[CO][Cl2]3/2

You actually enter the form of the basis functions on the first page, Stoichiometry, of the reaction window.
In the columns to the right of the one in which you enter the stoichiometric coefficients, you must enter the
forward and reverse order. The HYSYS default is to assume an elementary reaction the stoichiometry
parallels the order. Therefore for this reaction you would leave the forward order of CO at 1 and enter 1.5 for
the forward order of Cl2. Though it is assumed there is no reverse reaction, you might, if you chose, leave a
1 for the reverse order of the COCl2. As long as you did not enter a value for the reverse E and A, no reverse
reaction would take place.

About example we have an example in kinetic reaction :

About the type of reactor which I used in hysys it’s the CSTR as same in the above picture.