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Trickle-Bed
Catalytic hydro-desulfurization
Catalytic hydrogenation
Catalytic hydrocracking
Fischer-Tropsch
Coal liquefaction
CSTR Slurry
Hydrogenation of acetone
Bubble-Slurry Column
Addition of HBr to alpha olefins for the manufacture of alkyl
bromide.
The intra-particle
diffusion
resistance is very
high.
Comparatively low
Heat and mass
transfer rates
Catalyst
replacement is
relatively hard and
requires shut
down.
Multi-phase Reactors- Advantages and
Disadvantages
Advantages Disadvantages
Catalytic
Fluidized-bed
Reactor
Erosion by abrasion of
particles can be serious.
Particle attrition
Three-phase Reactors- Advantages and
Disadvantages
Advantages Disadvantages
Trickle-
Bed
Reactor
Temperature control is
difficult for highly exothermic
reactions
Ease of heat
recovery and
temperature
control.
Ease of catalyst
supply and
regeneration
process.
Low intra-particle
resistance.
High external
Mass transfer rate
(Gas-liquid and
Liquid Solid)
Axial mixing is
very high
Catalyst
separation may
require filtration.
- Thiele Modulus
1
st
order reaction rate:
Spherical Pellet
Cylindrical Pellet
Slab Pellet
)
3
1
3 (
1
Coth
De p kSa
R
/
3
De p kSa
R
/
2
De p kSa L /
Catalytic Fixed-Bed Reactor - Design Model
Mass Balance around the catalyst
Gas-Phase component mass balance (Plug Flow model)
Gas-Phase component mass balance (Dispersion model)
Energy Model
i net S G i c c R i C C a k ) ( ) ( ) (
0 . 0 ) ( ) ( i S G i c c
Gi
G C C a k
dz
dC
U
0 . 0 ) ( ) (
2
2
i S G i c c
Gi
G
Gi
G C C a k
dz
dC
U
z d
C d
i D
) ( ) ( Ta T UA j H Rj
dz
dT
Cp U R G G G +
Catalytic Gas-Fluidized Bed Reactor- Design Model
Bulk Gas Phase( Bubble Phase):
Plug Flow:-
With Axial Dispersion:
Intermediate(Cloud- Wake) Phase:
Catalyst (Emulsion) Phase:
Energy Balance:
) (
ic ib BC
ib
b
C C K
dZ
dC
U
) (
2
2
ic ib BC
ib
b
ib
ga
C C K
dZ
dC
U
dZ
C d
D
) ( ) ( ) (
ie i c C E e i C loud P ha s c i c i b B C
C C K R C C K +
hase iEmulsionP e ie ic CE
R C C K ) ( ) (
) ( * *
Re
1
actor ambient j
NR
j
pg b g
T T a U Hr Rj
dZ
dT
C U +
Catalytic Liquid -Fluidized Bed Reactor-Design Model
Liquid-phase component balance:
Plug Flow:-
(1)
Dispersion:-
(2)
Catalyst (Emulsion) Phase:
(3)
Energy Balance:-
(4)
) (
iS iL L
iL
L
C C K
dZ
dC
U
) (
2
2
iS iL L
iL
L
iL
La
C C K
dZ
dC
U
dZ
C d
D
hase iCatalystP iS iL L
R C C K ) ( ) (
) ( * *
Re
1
actor ambient j
NR
j
pL L L
T T a U Hr Rj
dZ
dT
C U +
Gas-Liquid Agitated Tank- Design Model
Gas-phase Component Mass Balance:
or
(1)
Liquid-phase Volatile-Component Mass Balance:
(2)
Liquid-phase Non-Volatile-Component Mass Balance:
(3)
Energy Balance:
0 ) / ( * * ) )( / ( + Li
o
i
o
L R
i
o
i
i
G
C H P a K E V P P RT Q
0 ) / ( * * ) ( / Li
o
L R
i
o
i
i
T gas
C H Poi a K E V P P P F
0 * ) / ( * * ) ( + +
R inet
Li
o
i
o
L R
Li
o
Li
i
L
V R C H P a K E V C C Q
0 * ) ( +
R inet
Li
o
Li
i
L
V R C C Q
0 ) ( *
)] * ( * [ )] ( 3 / ) ( 2 / ) ( [
3 3 2 2
+
+ +
To Ta A U
R HR V To Ti To Ti To Ti F j
j R i i i
i
i
Three-Phase Gas-Liquid Catalytic Reactor- Design Model
(Trickle-Bed, Fixed-upflow Bubble-Bed, Bubble Slurry Bed,
3-Phase Fluidized Bed)
Non-Volatile Liquid-phase mass balance:
Volatile Liquid-phase mass balance:
Boundary Conditions:
At Z=0
At Z=L
Gas-phase mass balance:
Component mass balance around the catalyst:
0 . 0 ) ( ) ( , ,
,
2
,
2
, i S i L i c c
i L
L
i L
i L C C a K
dz
dC
U
dz
C d
D
0 . 0 ) ( ) ( ) ( ) ( , , ,
, ,
2
,
2
, + i S i L i c c i L
i g
i g L
i L
L
i L
i L C C a K C
Hi
C
a K
dz
dC
U
dz
C d
D
) ( , ,
,
, i L
i
i L L
i L
i L C C U
dz
dC
D
0
,
dz
dC i L
0 . 0 ) ( ) ( ,
, ,
i L
i
i g
i g L
i g
g C
H
C
a K
dz
dC
U
0 . 0 ) ( ) ( ,
, ,
i L
i
i g
i g L
i g
g C
H
C
a K
dz
dC
U
Three-Phase Gas-Liquid Catalytic Reactor- Design
Model (CSTR Slurry)
Non-Volatile Component Liquid-phase mass balance:
(1)
Non-Volatile Component Liquid-phase mass balance:
(2)
Gas-phase mass balance:
(3)
Component mass balance around the catalyst:
(4)
0 . 0 ) ( ) ( ) ( , , , , i S i L
o
i c c R i L
o
i L
i
L C C a k V C C Q
0 . 0 ) ( ) ( ) ( ) ( ) ( , , ,
,
, , + i S i L
o
i c c R i L
o i g
o
i g L R i L
o
i L
i
L C C a k V C
Hi
C
a K V C C Q
0 . 0 ) ) ( ) ( ,
,
( , , i L
o i G
o
i g L R i G
o
i G
i
G C
Hi
C
a k V C C Q
) ( ) ( ) ( , , i R i S i L
o
i c c R r V C C a K V
ReaCat Start up screen
Reaction Reaction Phase Menu
Reactor Type Reactor Type Menu
Inlet Temperature and
Pressure, Energy
Model Selection
Physical Properties
of Components
Reaction Stoichiometry
Rate Law
Reaction Rate Constant
Reactor Specifications
Run
REACTION
Reaction Phase
Menu
REACTOR TYPE
Reactor Type Menu
Global Options
Physical Properties
Reaction Stoichiometry
Reaction Rate
Rate Constant
Reactor Specifications
Feed Composition Input
Heat Transfer Data for Non-isothermal cases
Graphical Output of the ReaCat Program
Reactor Flow-Sheeting
ReaCat, Test Cases
Catalytic Gas Fluidized Bed
Multiple reaction system for the production of Phthalic Anhydride from naphthalene.
Fluidization Engineering; Kunii and Levenspiel.(1991, Butterworth- Heinman, P 298)
Literature ReaCat (1) ReaCat (2) ReaCat(2)
Plug Flow Plug Flow Plug Flow Dispersion
Conversion 97% 94.93 % 85.49% 81.26%
(1) Experimental bubble diameter values has been used by the program
(2) The correlation of Horio and Nonaka (1984) has been used to find the bubble
diameter.
ReaCat, Test Cases
Continuous Gas-Liquid Stirred Tank Reactor
Liquid phase oxidation of o-xylene into o-methylbenzoic acid
by means of air.
Chemical Reactor Analysis and Design; G.F.Froment and
K.B. Bischoff (1979)
Literature ReaCat
Conversion 83.39% 83.95%
ReaCat, Test Cases
Trickle-Bed
Liquid-phase oxidation of formic acid in the presence of CuO.ZnO
catalyst; Baldi et. Al. 1974, Goto and Smith (1975)
Experimental ReaCat (plug flow) ReaCat (Dispersion)
Conversion 88.5 % 91.0% 89.8 %
ReaCat, Test Cases
Continuous Catalytic Gas-Liquid Slurry Stirred Tank
Reactor
Hydrogenation of Aniline to Cyclohexylamine (Supported Nickel
catalyst)
(Govindrao and Murthy, 1975; Ramachandran and Chaudari 1983 p.
303
Literature ReaCat
Reactor Volume 98 Liter 99 Liter
(46 % conversion of Aniline)
ReaCat, Test Cases
Semi-Batch Catalytic Gas-Liquid Slurry Stirred Tank Reactor
Butynediol Synthesis by the reaction of gaseous acetylene with
aqueous formaldehyde in the presence of copper acetylide catalysts.
; Kale et. Al (1981)
Experimental ReaCat (1) ReaCat (2)
Conversion 62 % 61.0% 68.5 %
1) Adsorption at catalyst surface is taken into account by the program
2) No adsorption effects
Sulfuric Acid Production by Contact Process
SO
2
+ O
2
SO
3
1
1
1
]
1
,
_
+ + +
2 / 1
2 2
3
1
2
3 2
'
2 / 1
2 1
'
2 / 1
2
'
2
'
2
O
P
SO
P
P
K
SO
P
SO
DP
SO
CP
O
BP A
O
P
So
P
SO
r
Where,
P
SO2
, P
O2
,P
SO3
= Interfacial Partial Pressures of SO
2
, O
2
and SO
3
(atm)
P' denotes partial pressures of SO2 and O2 at zero
conversion under total pressure at the point in the
reactor(atm)
K
P
= Thermodynamic Equilibrium Constant, atm
-1/2
Log
10
K
P
= 5129/T 4.869 T in
o
K
Constants A,B,C,D are functions of temperature.
Parameters and Operating Conditions for the Sulfuric
Acid Contact Process
Inlet Temperature 787
o
F
Inlet Pressure 19.4 Psia
Viscosity 0.09 lb/ft.hr
Reactor Dimensions:
Diameter 2.453 ft
Length 44 ft
Volumetric Flow Rate ( SCFM) 5439.174
Inlet Partial Pressures (Psia):
S0
2
11.08
O
2
7.958
SO
3
0.362
Catalyst Properties:
Density 33.8 lb/ft3
Particle Diameter 0.0405 ft
Bed Voidage 0.45
Graph of Temperature v/s Tube Length for Contact
Process
Graph of Concentration v/s Tube Length for Contact
Process
Graph of Conversion v/s Tube Length for the Contact
Process
SO
2
Conversion v/s Inlet Temperature
0
0.1
0.2
0.3
0.4
0.5
0.6
700 750 800 850 900 950 1000
INLET TEMPERATURE (F)
S
O
2
C
O
N
V
E
R
S
I
O
N
CONVERSION
SO
2
Conversion v/s Inlet Flowrate
0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
3000 3500 4000 4500 5000 5500 6000
INLET FLOWRATE (SCFM)
S
O
2
C
O
N
V
E
R
S
I
O
N
conversion
CONCLUSION
CONCLUSION
A Package for multi-phase catalytic and non-catalytic
reactors has been developed which demonstrates the
capability to handle complex Material and Energy Balances
and associated correlations.
Features to Be Added:-