Reactor Design (Chemical Reaction Engineering)

Chemical Reaction Engineering
Reactor Design
Jayant M. Modak
Department of Chemical Engineering
Indian Institute of Science, Bangalore
Chemical Reactor Design

Objectives
q
Technological
n
n
n
Maximum possible product in minimum time

Desired quantity in minimum time
Maximum possible product in desired time
Economic
n
Maximize profit
Chemical Reactor Design

Constraints
q
Market
n
n
Society/Legislative
n
n
Raw materials availability quality and quantity

Demand for the product
Safety
Pollution control
Technological
n
n
n
Thermodynamics
Stoichiometry
Kinetics
Chemical Reactor Design - Decisions

Type
q
of reactor
Tubular, Fixed Bed, Stirred tank, Fluidized bed
Mode
q
q
Mass Flow: Batch, Continuous, Semibatch

Energy: Isothermal, Adiabatic, Co/counter current
Process
q
Intensification
Combining more than one type of unit operation
Tubular reactor mass balance

C j
+ ( Flux j ) = R j
t z
C j
+ ( uC j + J j ) = R j
t z
M jC j + u M jC j + M j J j = M j R j
t j
j
z j
j
f
+ ( u f ) = 0
t x
Indian Institute of Science
Tubular reactor energy balance
1
(CTU ) +
FT H + A H j J j = Q
t
A z
j
C j
T
(CTU ) = (CT H P ) = H j + C jCPj

t
t
j
t j
t
F j
T
( FT H ) = H j + FjCPj
z
j
z j
z

J j
H j
+ J j
H jJ j = H j
z j
j
z j z
Tubular reactor energy balance

J j
C j 1 F j
+
+A
H j
= H j R j = H i ri
z j
j
t A z
i
T
T
+u
C jCPj
u
j
t
4
Q = U (Tr T )
dt
T
T
4
+ u + H i ri = U (Tr T )
C jCPj
u i
dt
j
t
Stirred tank reactor mass and energy balance
dN j
dt
= Fj 0 F je + R j
dT
= F j 0 ( H j 0 H je ) + V ( H i ) ri + AKU (Tr T )
N jCPj
j
i
j
dt
Fixed bed reactor mass balance
BC j ) + ( B Flux j ) = qmj
(
t
z
Cj
BC j ) + usC j Dej ,s f
(
t
z
z f
= qmj
T
T
2T
4
+ us
e 2 + qh = U (Tr T )
C jCPj
z
z
dt
j
t
( Dej,r , C j )
1 Y
rX
( X ,Y ) =
r
r
(e,r , T )
Psuedohomogenous model
qmj = R j
qh = H i ri
i
Heterogenous model external diffusion

qmj = K g (C j C js )gngAp = K g av (C j C js )
3
av = (1 B )
R
qh = h f av (T Ts )
K g av (C j C js ) = R j (C js , Ts )
h f av (T Ts ) = H i ri
i
Heterogenous model internal diffusion

'
C
1 2 '
j
r
D
ej
2
r r
r
'
'
'
= R j (C j , T )
'
T
1 2 '
'
r
H
r
ii
e
r 2 r
r i
qmj = Dej'
C 'j
r
av = R j ( C j )
r=R
qh = i ( H i ) ri
i
Non-isothermal reactors - PFR
2.0
1.5
Adiabatic
Isothermal
Concentration
1.0
0.5
0.0
10
20
30
40
350
Concentration
temperature
1
0
0.0
0.5
1.0
1.5
325
2.0
2.5
3.0
3.5
300
4.0
Time (min)
Concentration Temperature
Non-isothermal reactors - CSTR
340
320
300
2.0
1.5
1.0
0.5
0.0
0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 1.6 1.8 2.0
Residence time
Non-isothermal reactors - rate

8
r1
1/rate
6
4
2
0
0.0
0.5
1.0
1.5
2.0
C10-C1
Trajectories - Exothermic reaction

1.0
Isothermal
0.8
Xeq
0.6
Adiabatic
0.4
0.2
0.0
300 320 340 360 380 400
T
Trajectories - Endothermic reaction

1.0
0.8
Xeq
0.6
Adiabatic
Isothermal
0.4
0.2
0.0
300 320 340 360 380 400
T
Optimal temperature trajectories

10
0.1
0.01
0.0
0.2
0.4
0.6
100
1.0
0.8
conversion
10
1/rate
Rate
1
0.1
0.01
0.0
0.2
0.4
0.6
conversion
0.8
1.0
Optimal temperature
Extent
500
0.9
450
0.8
400
0.7
350
0.6
300
0.5
250
0.4
200
0.3
150
0.2
100
0.1
50
450
500
550
600
650
700
Temperature K
Thermal cracking of ethane in tubular reactor
Ethylene demands polyethylene, ethylene oxide,

ethylene glycol 20 million tons per annum
Main Reaction C2 H6 C2 H4 + H2
increase in
number of moles so steam as inert
Endothermic reaction - H 34.5 kcal/mol, high
temperature for high equilibrium conversions,
increasing temperatures along the length of the
reactor
2C2 H6 C3 H8 + CH 4
Side reactions
higher
conversion yield of side products higher
Yield conversion diagram for ethane cracking
Ethane cracking reactor

Typical operating condn
L = 95 m
G = 68.68 kg/m2/s
P inlet 2.99 atm, outlet 1.2 atm
T inlet 680, outlet 820 C
Production 10000 tons/coil
Balances
mass
energy
d t2
= Rj
dz
4
dF j
dT
1
=
dz F jC pj
j
d t2
( H i )ri
q( z ) d t +
4 i
dp 2 f

du
2
momentum = +
u
+
u
f
f
dz d t rb i
dz
RT F j
F' 1
j
u=
=
A A
p
Simulation of ethane reactor
Hydrogenation of oil
Major demand margarine, shortenings, vanaspati
Vegetable oils mixture of triglycerides - glycerol

and fatty acids
Fatty acids saturated (S) , monosaturated (cis, R1

and trans, R2) and diunsaturated (B). Hydrogenation
to reduce odor or color, improve stability and
increase melting point.
Product requirements some polyunsaturated

(health) and R2 ( consistency and higher melting
points)
Reactions
r1 r4 C , r5 r6 CH 2
1/ 2
H2
implies selectivity of monounsaturates over

saturates proportional to (CH2)1/2
Yield conversion diagrams
Balances
mass
dC j
= Rj
j = B, R1 , R2 , M
dt
k Lav CH 2 , g CH 2 ,s = RH 2 C j , CH 2 ,s
dCH 2 ,b
= k L a v C H 2 , g C H 2 ,b k S a S C H 2 ,b C H 2 , s
dt
0 = k S aS CH 2 ,b CH 2 ,s + RH 2
1
1
1
=
+
k L av k L av k S a S
Stirred tank batch reactor

Desired conversion
batch time
Desired production rate
and batch time
volume
Based on volume
internal design
Cooling load
Q = V ( Hi )ri = AKU (T Tr )
i
Ammonia synthesis
Major
demand Fertilizer, chemicals,

explosives, polyamides, pharmaceuticals;
150 million tons per annum
Main reaction
1
3
N 2 + H 2 ! NH 3 , !H 298 K = "45.7 kJ / mol "1
2
2
High
pressure, low temperatures

favorable
Catalytic reaction iron, promoted
ruthenium
Ammonia synthesis equilibrium
1.0
1.0
(A)
P = 300 atm
0.8
0.7
0.6
200
0.5
100
0.4
50
0.3
0.2
10
3
0.1
1
0.0
500
T = 473 K
(B)
0.9
Ammonia Mol fraction
Ammonia Mol fraction
0.9
523
0.8
0.7
573
0.6
623
0.5
673
0.4
0.3
723
0.2
773
0.1
0.0
600
700
800
Temperature (K)
900
100
200
300
Pressure (Atm)
Ammonia synthesis - balances

dC j
= R j (C j ,T )
mass
us
energy
dT 4U
f us c p
=
(Tr T ) + ( H ) r
dz dt
catalyst
dz
1 d 2 dCi'
'
'
r
D
=
R
C
,
T
)
ie
i( i
2
r dr
dr
1 d 2 dT '
r e
= H r
2
r dr
dr
Reactor simulation
0.7
0.5
N2
0.4
H2
0.3
NH3
temperature
mol fraction
0.6
0.2
0.1
0.0
Length (m)
860
840
820
800
780
760
740
720
700
680
Length (m)
120
100
rate at bulk conditions

observed rate
rate
80
60
40
20
0
0
Length (m)
Optimal temperature
Extent
500
0.9
450
0.8
400
0.7
350
0.6
300
0.5
250
0.4
200
0.3
150
0.2
100
0.1
50
450
500
550
600
650
700
Temperature K
Fixed bed reactors
Ammonia Multibed reactor
Conversion
1.0
r=0
r/ T=0
Reactor 1
Reactor 2
Reactor 3
0.8
0.6
0.4
0.2
0.0
400
500
600
700
800
900
Temperature
Fixed bed reactors
Ammonia Autothermal
250
200
150
1000
Ttop-T1L
Ttop-Tfeed
900
473
491
513
523
578
623
800
Tfeed K
300
100
50
0
400
700
600
500
500
600
700
Ttop
800
900
1000
400
400
500
600
700
800
900
1000
Ttop K
Ammonia Autothermal
800
0.8
700
r=0
r/ T=0
0.7
650
600
Conversion
Conversion
750
reactor
heat exchanger
550
0.6
0.5
0.4
0.3
0.2
0.1
500
0
Length
0.0
600
650
700
750
800
850
900
Temperature
Process intensification
Strategy
of reduction in physical size of a

chemical plant while achieving given
objective
30 40 years old concept, reinvented in last
decade due to intense competition, scarce
resources and stricter environmental norms
Multifunctional reactive systems several
functions are designed to occur
simultaneously.
Major drive in refining and petrochemicals
sector
Catalyst particle in reacting media
Type A at catalyst level

Type B at interphase
transport level
Type C at intra-reactor
level separations/heat
transfer
Type D inter-reactor
level by combining two
reactor operation with
solids recirculation.
Type A Example bifunctional catalysis

Catalytic
reforming to increase the octane
number
Conversion of parafins, cyclo parafins and
napthenes to aromatics and branced
paraffins.
Reactions involved dehydrogenation,
cyclization and isomerization
Pt/SiO2 catalyst
Type B Example Gas induction reactors

STATOR
GAS- LIQUID
DISPERSION
DRAFT TUBE
GAS ENTRANCE
DRAFT TUBE
SELF INDUCING
IMPELLER
STATOR
GAS -LIQUID
DISPERSION
DISPERSING
IMPELLER
SUSPENDING
IMPELLER
Type C Intra-reactor operation

Energy
transfer reaction in heat exchanger

Momentum transfer radial flow reactors
Mass transfer reactive- distillation,
absorption
Type C Momentum transfer

High
gas flow rates ammonia synthesis,

styrene from ethylbenzene, flue gas
treatments
Type C Mass transfer

Enhance
conversion in equilibrium limited

reaction, prevent undesirable reaction,
increase rate of product inhibited reactions
Type C Energy transfer

CH 4 + 2O2 CO2 + 2 H 2O
H = 803 kJ / mol
0.30
0.25
Temperature
H = 206 kJ / mol
0.20
Flue gas
Process
0.15
0.10
0.05
0.00
0
Length
840
Temperature
CH 4 + H 2O CO + 3H 2
800
Flue gas
Process
760
720
680
640
0
Length
Type C Example styrene synthesis
Design considerations and safety
Multiplicity in stirred tank reactor
Explosion in batch reactor
Runaway/Hot spot in tubular reactor
Runaway/Hot spot in tubular reactor

800
0.012
0.015
0.016
0.0175
0.0176
0.0181
0.015
0.010
temperature
partial pressure
0.020
0.005
0.000
0.0
0.2
0.4
0.6
0.8
Length
1.0
1.2
1.4
0.012
0.015
0.016
0.0175
0.0176
0.0181
700
600
0.0
0.2
0.4
0.6
0.8
1.0
1.2
1.4
Length
Runaway/Hotspot in tubular reactors
Partial pressure
0.020
Sensitive
0.016
0.012
0.008
Insensitive
0.004
610
620
630
640
650
660
temperature
q < p2 / 4
1,2 = 1, 2
'' < 0
q > p2 / 4
1,2 = i
<0
q = p2 / 4
q=det (A)
q > p2 / 4
1,2 = i
>0
p=tr (A)
q < p /4
1,2 = 1, 2 > 0
2
q < p2 / 4
1,2 = 1, 2
1 > 0, 1 > 2
Stability analysis
A
state X=0 is said to be stable when given

e>0, there exists a d>0 (0<d<e) such that if ||X
(0)||<d then ||X(t)|| < e for all t>0
A state X=0 is said to be asymptotically
attractive when given m>0, such that if ||X(0)||
<m then lim (t) ||X(t)|| =0
A state is asymptotically stable when stable
and asymptotically attractive.
A state is marginally stable when stable but
not asymptotically attractive
Examples
x2 ( y x ) + y5
dx
=
dt 1 + x 2 + y 2 + ( x 2 + y 2 )2
dx
=y
dt
dy
= x
dt
y2 ( y 2x)
dy
=
dt 1 + x 2 + y 2 + ( x 2 + y 2 )2
1.0
0.8
0.6
0.4
0.2
0.0
0.0
0.2
0.4
0.6
0.8
1.0
1.2
1.0
0.8
0.6
0.4
0.2
0.0
-0.2
-0.4
-0.6
-0.8
-1.0
-1.2
-1.2-1.0-0.8-0.6-0.4-0.2 0.0 0.2 0.4 0.6 0.8 1.0 1.2
Two dimensional system - Eigen values

2 T + D = 0
T
T2
1,2 =
D
2
4
D=determinant(A)
T /4-D=0
Unstable
focus
Stable
focus
Unstable
node
Stable
node
0
T=trace(A)
Unstable node
= 0.1 D = 0.00971, T = 0.988
45
Unstable
node
Stable
node
0
T=trace(A)
0.08
35
0.06
30
beta
alpha
Unstable
focus
Stable
focus
0.10
40
25
20
0.04
0.02
15
0.00
10
-50
= 0.0099,0.9782
D=determinant(A)
T /4-D=0
50
100
150
200
250
300
350
Time
-50
50
100
150
200
250
300
350
Time
0.10
0.08
beta
0.06
0.04
0.02
0.00
10
20
30
40
50
alpha
D=determinant(A)
Unstable focus
= 0.5 D = 0.248, T = 0.751
= 0.3756 0.3276i
350
T=trace(A)
2.0
200
150
beta
alpha
Unstable
node
Stable
node
2.5
250
100
50
1.5
1.0
0.5
0.0
-50
-50 0 50100150200250300350400450500550600650700750
50
100
Time
2.5
2.0
beta
1.5
1.0
0.5
0.0
-10
10
alpha
150
200
250
300
350
Time
3.0
beta
Unstable
focus
Stable
focus
3.0
300
-50
T /4-D=0
20
30
10
8
6
4
2
0
-2
-4
-6
-8
-10
linearized process
real process
10 12 14 16 18 20
alpha
Stable focus
= 2.0 D = 3.99, T = 2.98 = -1.4900 1.3288i
Unstable
node
Stable
node
0
T=trace(A)
2.0
0.75
1.9
0.70
1.8
0.65
beta
alpha
Unstable
focus
Stable
focus
2.1
0.80
0.60
1.7
0.55
1.6
0.50
1.5
0.45
-50
D=determinant(A)
T /4-D=0
50
100
150
200
250
300
1.4
-50
350
50
100
Time
150
200
250
300
350
10
Time
2.1
0.3
2.0
1.9
0.2
alpha
beta
1.8
1.7
1.6
1.5
1.4
0.45
0.1
0.0
0.50
0.55
0.60
0.65
alpha
0.70
0.75
0.80
-2
alpha
Stable node
D=determinant(A)
= 2.5 D = 6.23, T = -5.21
= -3.3614, -1.8525
T /4-D=0
Unstable
focus
Stable
focus
Unstable
node
Stable
node
0
T=trace(A)
2.5
0.65
2.4
0.60
beta
alpha
2.3
0.55
0.50
2.1
2.0
0.45
1.9
0.40
-50
2.2
50
100
150
200
250
300
Time
350
1.8
-50
50
100
150
200
250
300
350
Time
2.5
2.4
beta
2.3
2.2
2.1
2.0
1.9
1.8
0.40
0.45
0.50
0.55
0.60
0.65
alpha
Limit cycle
= 1.005
1.6
Unstable
focus
Stable
focus
Unstable
node
Stable
node
0
T=trace(A)
1.5
1.4
1.4
1.3
1.2
beta
1.2
alpha
= 1.003i
D = 1.01, T = 0
D=determinant(A)
T /4-D=0
1.0
1.1
1.0
0.9
0.8
0.8
0.6
-50
0.7
0
50
100
150
200
250
300
350
Time
-50
50
100
150
200
250
300
350
Time
1.5
1.4
1.3
beta
1.2
1.1
1.0
0.9
0.8
0.7
0.6
0.8
1.0
1.2
1.4
1.6
alpha
Adiabatic CSTR
Heat generation
Heat removal
=60 s
=10 s
= 100 s
100
rate
80
60
40
20
0
1.0
10
Steady
state
Eigenvalue
s
0.8
0.08996,
0.61698
0.6
1.6710-2 ,
8.6810-3
0.4957
3.4
1.6710-2
7.0510-3
0.7628
5.2318
1.7410-2
1.6610-2
0.4
conversion
temperature 2
0.2
0.0
40
80
120
160
200
temperature
conversion
Adiabatic CSTR steady state multiplicity
residence time
Adiabatic CSTR phase plane, transient

14
12
Temperature
10
8
6
4
2
0
0.0
0.2
0.4
0.6
0.8
1.0
Conversion
Non-ideal flow, mixing and reactions
If, we know precisely what is happening within the

vessel, thus, if we have a complete velocity distribution
map for the fluid in the vessel, then we should, in
principle, be able to predict the behavior of a vessel as a
reactor. Unfortunately, this approach is impractical, even
in today s computer age. Levenspiel, Chemical
Reaction Engineering, 1999.
Mobil Adds Million-Dollar Benefits by Using Flow

Simulation to Optimize Refinery Units, Greg Muldowney,
Mobil Technology Company, 2007
CFD modeling of bioreactors

Bioreactor
performance: interactive relation

between biosystem and physical environment
q
Biotic phase: complex machinary inside cell and

its regulation by external environment
Abiotic phase: multiphase system with complex
interactions of mass, momentum and energy
leading to environmental gradients in space and
time
Anaerobic digestion
Complex polymers
Fermentative B.
HYDROLYSIS
and
ACIDOGENESIS
Monomers
20
76
Acidogenic B.
Volatils fatty acids

(VFA), alcohols, ...
ACETOGENESIS
Acetogenic B.
Acetate
METHANOGENESIS
72
52
24
CO2 + H2
Homoacetogenic B.
Hydrogenophilic B.
Acetoclastic B.
CH4 + CO2
28
CH +H O
4 Science
2
Indian Institute of
CFD modeling of anaerobic bioreactor
Biogas out
1
1.2
0.15
Gas
0.15
Leafy biomass Treated water out
Waste water in
y
1.4
water
Results & Discussion
Vector plot for liquid velocity (m/s)

(with Packed bed)
Contour plot for liquid velocity (m/s)

(with Packed bed)
PIV experiments
Experimental verification
Contours of X-direction mean velocity (inlet NRe=7660) (a)experimental and (b ) Simulation

results without packed bed
Experimental verification
Contours of X-direction mean velocity (inlet NRe=500) (a)experimental and (b ) Simulation

results with packed bed
Improving the performance
Residence time distributions

Exit
q
age distribution E(t)dt
Fraction of material in exit stream which has age

between t and t+dt
Cumulative
q
Fraction of material in exit stream with age less

than t
Internal
q
residence time distribution, F(t)
age distribution, I(t)dt
Fraction of material within vessel which has age

between
t and t+dt
t
dF (t )
F (t ) = E (t ')dt ' or
= E (t ),
dt
0
V
1 F (t ) = I (t )
F'
Means and moments of distribution

Mean
residence time
t = tE (t )dt
E (t )dt ' = tE (t )dt
Variance
( )
= t t E (t )dt
2
Skewness
( )
s = t t E (t )dt
3
3/ 2
Example
1.0
0.20
0.8
F(t)
E(t)
0.15
0.10
0.05
0.00
0.6
0.4
0.2
10
12
0.0
14
0.20
0.8
0.15
0.6
0.10
0.05
0.00
12
14
t E(t)
I(t)
10
0.4
0.2
10
12
14
0.0
10
12
14
Experimental determination of RTD

Convolution
integral
Ce (t ) = Co (t t ') E (t ')dt = Co (t ') E (t t ')dt

Pulse
input
E (t ) = Ce (t )
C (t ) dt
e
Step
input
F (t ) = Ce (t ) C0
Determination of RTD from model

CSTR
1
E (t ) = exp ( t )
PFR
E (t ) = (t ), F (t ) = H (t )
PFR-CSTR
or CSTR-PFR
0
t <p
E (t ) = 1
t p
exp
t p
s
s
RTD and reactions

kinetics
of the reaction
the RTD of fluid in the reactor
the earliness or lateness of fluid mixing in the
reactor
whether the fluid is a micro or macro fluid
Example second order reaction

CSTR-PF
PF-CSTR
PF
CSTR
PF(=4)
CSTR(=4 )
1.0
C/C0
0.8
0.6
0.4
0.2
0.0
10
k C0
Macro- and Micromixing

Macromixing
distribution of residence times
in the reactor
Micromixing description of how molecules
of different ages interaction with each other
q
Complete segregation all molecules of same

age group remain together until they exit the
reactor
Complete micromixing molecules of different
age group are completely mixed
the
earliness or lateness of fluid mixing in the

reactor
whether the fluid is a micro or macro fluid
Zero parameter models

Complete
segregation
Cs = C (t ) E (t )dt
0
Model
dC
= R(C ) C (0) = C0
dt
Cs = C (t ) E (t )dt
0
dCs
= C (t ) E (t ) Cs (0) = 0
dt
z
t=
t ( 0, ) z ( 0,1)
z 1
dC
R (C )
=
dz (1 z )2
dC dC dz
2 dc
=
= (1 z )
dt dz dt
dz
dCs E ( z 1 z )
=
C
2
dz
(1 z )
Zero parameter models

Maxiumum
mixedness
dC
E ( )
= R(C ) (C10 C )
d
1 F ( )
C ( = 0) = C10
Example second order reaction

1.0
maximum mixedness
complete segregation
2 CSTRs
C/C0
0.8
0.4
maximum mixedness
complete segregation
2 CSTRs
0.6
0.2
0.4
0.2
0.0
0.01
0.0
0.1
10
100
1000
10
100
1000
k C0
Example mass transfer and reaction

0.6
1.0
CAe
0.4
0.3
0.2
maximum mixedness
segregated flow
0.1
0.0
10
100
r( m)
1000
10000
Concentration
0.5
0.8
CA (r=1m)
CB
CA (r=100m)
0.6
CB
0.4
0.2
0.0
0
10
One parameter models

Tanks
in - series
N N t n1
nt
E (t ) =
exp

( N 1)! N

2 =
1
N
One parameter models

Axial
dispersion model
1
1
= 1 (1 e Pe )
Pe Pe
RTD
1.4
10
1.2
1
0.8
1
2
3
4
4
2
0.6
3
2
0.4
0.2
0.0
dispersion model
500
E(t)
E(t)
1.0
0
0.0
0.5
40
1.0
1.5
2.0
Transient in PFR
t
0
0.25
0.5
0.75
1.0
0.8
:
:
0.6
2.5
0.4
0.2
0.0
0.0
0.2
0.4
0.6
0.8
1.0
Compartment models
1.0
1.0
0.8
0.8
0.6
YieldB
ConversionA
Example
1 CSTR
2 CSTR
0.4
0.6
0.4
0.2
0.2
0.0
0.0
1 CSTR
2 CSTR
0.2
0.4
0.6
0.8
1.0
0.0
0.0
0.2
0.4
0.6
0.8
1.0
Rate contours reversible reaction

1
0
0.9
0.8
0.7
0.1
0
0.5
0.4
0.1
0.3
0 .1
0.2
1
0.1
0.1
110 0
100
10
'
0.6
0
300
310
320
330
340
350
360
370
380
100
0.1 101 0
390
400
Temperature
Fludized bed catalytic convertors
Fluidised bed reactor
Solid volume fraction

Reactor Design (Chemical Reaction Engineering)

Uploaded by

Document Information

Copyright

Available Formats

Share this document

Share or Embed Document

Sharing Options

Did you find this document useful?

Is this content inappropriate?

Copyright:

Available Formats

Reactor Design (Chemical Reaction Engineering)

Uploaded by

Copyright:

Available Formats

Chemical Reaction Engineering

Chemical Reactor Design

Maximum possible product in minimum time

Chemical Reactor Design

Raw materials availability quality and quantity

Chemical Reactor Design - Decisions

Tubular, Fixed Bed, Stirred tank, Fluidized bed

Mass Flow: Batch, Continuous, Semibatch

Combining more than one type of unit operation

Tubular reactor mass balance

Indian Institute of Science

Tubular reactor energy balance

(CTU ) = (CT H P ) = H j + C jCPj

Indian Institute of Science

Tubular reactor energy balance

Indian Institute of Science

Stirred tank reactor mass and energy balance

Indian Institute of Science

Fixed bed reactor mass balance

Indian Institute of Science

Heterogenous model external diffusion

Indian Institute of Science

Heterogenous model internal diffusion

Indian Institute of Science

Non-isothermal reactors - PFR

Indian Institute of Science

Non-isothermal reactors - CSTR

Non-isothermal reactors - rate

Indian Institute of Science

Trajectories - Exothermic reaction

Indian Institute of Science

Trajectories - Endothermic reaction

Optimal temperature trajectories

Indian Institute of Science

Thermal cracking of ethane in tubular reactor

Ethylene demands polyethylene, ethylene oxide,

Yield conversion diagram for ethane cracking

Indian Institute of Science

Ethane cracking reactor

Indian Institute of Science

Simulation of ethane reactor

Major demand margarine, shortenings, vanaspati

Vegetable oils mixture of triglycerides - glycerol

Fatty acids saturated (S) , monosaturated (cis, R1

Product requirements some polyunsaturated

implies selectivity of monounsaturates over

Yield conversion diagrams

Stirred tank batch reactor

demand Fertilizer, chemicals,

pressure, low temperatures

Ammonia synthesis equilibrium

Ammonia Mol fraction

Ammonia Mol fraction

Indian Institute of Science

Ammonia synthesis - balances

Indian Institute of Science

rate at bulk conditions

Indian Institute of Science

Indian Institute of Science

Fixed bed reactors

Indian Institute of Science

Ammonia Multibed reactor

Indian Institute of Science

Fixed bed reactors