Fitria Yulistiani, ST., MT.

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 Reactors (1)
Reactors are the heart of any chemical processing plant, used to convert raw
materials into finished or intermediate products by chemical reaction

In HYSYS, reactors are categorized into two sections:

Ideal reactors: Plug-Flow Reactor (PFR) and Continuous Stirred-Tank
Reactor (CSTR)
Generalized reactors: Gibbs reactor, Equilibrium reactor, and Conversion
reactor

PFR assumes plug flow at any radial position, i.e. concentration of species is
the same at one axial point (for example, at reactor length of 1 meter, regardless
its radial position, i.e. at 0.5 meter radius from the center). Concentration of
reactants is gradually decreasing

CSTR assumes perfect mixing in all position of the reactor. Feed is

introduced to a stirred tank, and the concentration of reactants is instantly
decreasing to a specific point which is nearly the same as products concentration

PFR and CSTR is used when kinetics data are available

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 Reactors (2)
Gibbs reactor assumes maximum equilibrium yield (i.e. maximum products
yield) at specified temperature and pressure. This is often used when no
chemical reaction kinetics data, equilibrium data, and conversion data available,
and we are sure the species is reacting at maximum yield, such as in combustion
reaction

Equilibrium reactor assumes all species are at equilibrium (though, not

maximum equilibrium as in Gibbs reactor). This is used when equilibrium data
are available

Gibbs reactor may convert reactants which are should not be converted, so
equilibrium reactor can limit reaction by using specified K-value (equilibrium
constant), which may be assumed constant or temperature-dependent

Conversion reactor assumes species are reacting at specified percent

conversion. For example, 60% conversion of toluene means only 60% of toluene
is converted, 40% remaining will present in the product stream. This is used
when we want to design a reactor for specified conversion level, regardless of its
maximum equilibrium yield. Though, this is not a good choice for low equilibrium
yield reaction
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 Reactors (3)
HYSYS provides five (5) type of reaction available:
Conversion
Equilibrium
Heterogeneous Catalytic
Kinetic
Simple Rate

Conversion reaction is used in conversion reactor. We need to supply the

stoichiometry of the reaction and conversion level

Equilibrium reaction is used in equilibrium reactor. We need to supply the

stoichiometry of the reaction and K-value

Heterogeneous catalytic reaction is used in PFR and CSTR reactor. We need

to supply stoichiometry of the reaction and kinetic data (either forward,
reverse, or both)

Kinetic and simple rate reaction is used in PFR and CSTR reactor. We need to
supply stoichiometry of the reaction and kinetic data (kinetic and simple rate
has different kinetic expression)
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 Bangun sistem reaksi: TOLUENE + HYDROGEN BENZENE + METHANE
Jenis reaktor: PFR
Kinetika: rtoluene K Ptoluene Phydrogen
1 1

K = A exp(-EA/RT)
A = 1 . 106
E = 50000 kJ/kgmole

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 Reactors (4)
Let us create a system consisting of: toluene, hydrogen, benzene, and
methane, with Peng-Robinson Fluid Package

Create a kinetic reaction, add all components with stoichiometry coefficient as -

1, -1, 1, and 1 for toluene, hydrogen, benzene, and methane, respectively. This
means 1 mol of toluene is reacted with 1 mol of hydrogen to produce 1 mol of
benzene and 1 mol of methane

Overall reaction is expressed as: TOLUENE + HYDROGEN BENZENE +

METHANE
This is called HYDRODEALKYLATION OF TOLUENE to produce benzene

Kinetic reaction always has reaction order, i.e. relation between its
concentration or pressure vs. reaction rate (reaction speed, how fast the
components reacts). All reactions have forward order (i.e. TOLUENE +
HYDROGEN BENZENE + METHANE), but not all have reverse order (i.e.
BENZENE + METHANE TOLUENE + HYDROGEN). If we are sure that there
is no reverse reaction, supply zero (0) as reverse order value, and let us assume
this reaction is a 2nd order reaction (1st order to toluene and 1st order to
hydrogen)
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Reactors (5)
Each forward reactant of 1st order, and
both reverse reactant of 0th order

Balance Error: zero (0) means the

reaction stoichiometry is perfectly defined

Reaction Heat: negative means

exothermic (i.e. system releases heat), so
we may increase the product yield by
cooling the reactor

Basis: basis of the relation between

reaction rate and reaction component
Partial pressure:

rtoluene K Ptoluene Phydrogen

1 1

Molar concentration:

rtoluene K Ctoluene Chydrogen

1 1

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Reactors (6)
Base Component: often is the limiting
reactant (reactant which is 100%
consumed) or generally the reactant
which the reaction extent is calculated,
or main reactant

Reaction Phase: phase in which

reaction occur. For this reaction, select
VapourPhase as we are sure the
reaction is in vapor phase

Basis Units: units for basis (in this

system: pressure)

Rate Units: units for rate of reaction (in

this system: kgmole/m3-s

The units must be selected according

to the known kinetics data

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Reactors (7)
Enter the following data:
A = 1 . 106
E = 50000 kJ/kgmole

A is so-called collision frequency, while

E is activation energy

Collision frequency determines the

possibility of a atom or molecule to
collide with other atom or molecule

Activation energy determines the

energy demand for the system to react

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 Reactors (8)
Add reaction set

Add set to Fluid

Package

Add Rxn-1 to
reaction set Set-1

By defining a reaction set, we can add multiple reactions within one set, such as in main
reaction and side reaction

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 Reactors (9)
Create a stream TOLUENE with: 400oC, 5000 kPa, 10000 kg/h, pure toluene
Create a stream HYDROGEN with 400oC, 250 kg/h, pure hydrogen
Install valve at both streams with standard specification and size it
Install a mixer which mix both valve outlet, and specify Equalize All

By specifying Equalize All,

HYSYS sets one unknown
stream pressure by equalize it
with one known stream
pressure (i.e. hydrogen
pressure is equalized with
toluene pressure)

Dynamic mode needs

Equalize All specification as
two streams must be in same
pressure to be mixed

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 Reactors (10) - PFR
Install a PFR

Use pressure drop

calculation based on
Ergun equation, since we
do not have actual
pressure drop

Ergun equation is a
relationship between
pressure drop and
density of fluid and
particles, sphericity,
porosity, and diameter of
particles

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 Reactors (11) - PFR
Add a reaction set

Enter a reaction set

Enter catalyst particle

data (or use available
data instead if the data is
not available)

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 Reactors (12) - PFR
Specify two (2) of three (3) following: total volume, length, and diameter

Specify void
fraction (fraction
which is not
occupied by
catalyst)

Void fraction in
catalyzed reactor
usually ranges
from 0.1 to 0.4

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 Reaksi: Ethylbenzene Styrene + Hydrogen
Konversi E-benzene = 80%
Fluid Package: Peng Robinson
Aliran Feed (Umpan):
Komposisi E-Benzene 100%
F = 217 gmol/s
T = 880 K
P = 1,378 bar
Berapa panas reaksi jika reaktor berada pada kondisi isothermal?
Berapa temperatur keluaran reaktor jika reaktor berada pada kondisi
adiabatic?

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 Bagaimana pengaruh konversi e-benzene terhadap panas reaksi pada kondisi
isothermal temperatur konstan 250 oC?

Latihan
Bagaimana pengaruh temperatur inlet terhadap temperatur outlet pada
kondisi adiabatic dengan konversi 80%?

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Propylene Oxide + Water Propylene Glycol

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 Produk hasil reaksi harus dipisahkan terus menerus secara kontinyu. Kolom
distilasi