HYSYS Chemical Reactions & Reactors

In HYSYS there are 2 basic reactor styles and several subgroups. In HYSYS Plant 2.2 there are the two ideal
reactor models of a CST and a P!. The CST model is a standard algebraic model that has been in simulation
pac"ages for a number of years. The #$%&s of the P! are a recent addition to simulation pac"ages and are solved
by dividing the volume into small segments and finding a se'uential solution for each volume. In these more recent
models( these reactors not only include energy balances( but pressure drop calculations are a standard feature for
pac"ed bed reactors.
)ithin each of these reactors there are subsets of how the reactants and products are modeled*
Complete the Tutorial located in the pdf manual*
++engnet,+apps+Hysys-$oc+.enu.pdf.
Then go to HYSYS Plant 2.2( Tutorials / 0pplications( Chapter 1 Chemicals Tutorial
#f relevance to this class are 2 sections of the HYSYS manuals* These manuals are in adobe pdf format and are
located in*
Chemical Reactions* HYSYS Plant 2.2( Simulation 2asis( Chapter 3 eactions. This presents the details on using
the eaction .anager to add reaction sets.
Chemical Reactors* HYSYS Plant 2.2( Steady4State .odeling( Chapter 5 eactors.
Special Note: HYSYS Reaction rates are given in units of volume of gas phase. !or e6ample to convert from
units of "gcat to volume of gas*
[ ]
[ ]
( )

=
=
=
,
"gcat s
mol
m s
mol
7
gas
c HYSYS
HYSYS
r r
r
r
Summary of Reactions in HYSYS
eaction Type $escription*
Conversion
Conversion8 9
2
2 , :
8 T C T C C X + + = ;
%'uilibrium
( ) T f K
eq
=
< e'uilibrium based on reaction stoichiometry. eq
K
predicted or specified
=ibbs minimi>ation of =ibbs free energy of all components
?inetic

S R rev B A f A
C C k C C k r + = where the reverse rate parameters must be
thermodynamically consistent and rate constants are given by ( ) RT E AT k
n
= e6p
Heterogeneous
Catalytic
Yang and Hougen form*

=
i
i i
s
S
r
R b
B
a
A
A
C K
K
C C
C C k
r

,
This form includes @angmuir4Hinshelwood( %ley4ideal and .ars4van ?revelen etc.
Simple ate

=
eq
S R
B A f A
K
C C
C C k r


in which
eq
K
is predicted from e'uilibrium data.
,
Reactor Types:
1) CSTR model reactors Well Mied Tan!"Type
HYSYS Reactor #ame Reaction Types $See a%o&e)
Conversion eactor
Conversion 9
2
2 , :
8 T C T C C X + + = ;
CST Simple ate( Heterogeneous Catalytic( ?inetic
%'uilibrium eactor
( ) T f K
eq
=
< e'uilibrium based on reaction stoichiometry. eq
K
predicted
from =ibbs !ree %nergy
eq
K
specified as a constant or from a table of values
=ibbs minimi>ation of =ibbs free energy of all specified components(
option ,; no the reaction stoichiometry is re'uired
option 2; reaction stoichiometry is given
') (lu) *lo+ Reactor* Simple ate( Heterogeneous Catalytic( ?inetic
2