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S,S&L Chapter 7
Terry A. Ring
ChE
Reactor Types
Ideal
PFR
CSTR
Real
Unique design geometries and therefore RTD
Multiphase
Various regimes of momentum, mass and
heat transfer
Reactor Cost
Reactor is
PRF
Pressure vessel
CSTR
Storage tank with mixer
Pressure vessel
Hydrostatic head gives the pressure to design for
Reactor Cost
PFR
Reactor Volume (various L and D) from reactor
kinetics
hoop-stress formula for wall thickness:
t
PR
tc
SE 0.6 P
Reactor Cost
Pressure Vessel Material of Construction
gives metal
Mass of vessel = metal (VC+2VHead)
Vc = DL
VHead from tables that are based upon D
Cp= FMCv(W)
dC j
dt
k (T ) Ci i
i 1
EA
k (T ) ko exp(
/)
RT
PFR no backmixing
Used to Size the Reactor
Xk
dX
V Fko
rk
0
Fko X k
V
rk
Outlet Conversion is used for flow sheet
mass and heat balances
Bulk FluidCAb
1. External
Diffusion
Rate = kC(CAb
CAS)
External Surface
CAs
of Catalyst Pellet
2. Defined by an
Effectiveness
Factor
Internal
Surface
of Catalyst
3. Surface
Pellet
Adsorption
A + S <-> A.S
Catalyst
Surface
7 . Diffusion of
products
from pore
mouth to
bulk
6 . Diffusion of
products
from interior to
pore
mouth
A B
5. Surface Desorptio
4. Surface Reaction
B. S <-> B + S
Catalytic Reactors
Various Mechanisms depending on rate limiting step
Surface Reaction Limiting
Surface Adsorption Limiting
Surface Desorption Limiting
Combinations
Langmuir-Hinschelwood Mechanism
H2 + C7H8 (T) CH4 + C6H6(B)
rT
k pT p H 2
1 1.39 p B 1.04 pT
(SR Limiting)
Enzyme Catalysis
Enzyme Kinetics
rs
k1k3C H 2O C E C S
k1C S k 2 k3C H 2O
S= substrate (reactant)
E= Enzyme (catalyst)
Problems
Managing Heat effects
Optimization
Make the most product from the least reactant
Maximize Selectivity
Number of moles of desired product formed per mole of
undesirable product formed
Reaction Dies
Endothermic
Preventing Explosions
Preventing Stalling
Temperature Effects
On Equilibrium
On Kinetics
ai activity of component I
o
Grxn
a Rr aSs
K eq a a exp
,
a A aB
RT
i = activity coefficient of i
Vi =Partial Molar Volume of i
o
d ln K eq H rxn
2
dT
RT
Le Chateliers
Principle
1. Levenspiel , O. (1999), Chemical Reaction Engineering,
John Wiley and Sons , 3 rd ed.
Unfavorable Equilibrium
Cooling
Q = UA Tlm
Adiabatic
Q = UA T
dC j
dt
k (T ) Cii
EA
k (T ) ko exp
RT
i 1
PFR no backmixing
Used to Size the Reactor
Xk
dX
V Fko
rk
0
Fko X k
V
rk
Outlet Conversion is used for flow sheet
mass and heat balances
Unfavorable Equilibrium
Fko X k
V
rk
Q = UA T
Temperature Profiles in a
Reactor
Exothermic Reaction
Recycle
Reaction Dies
Endothermic
Preventing Explosions
Preventing Stalling
Inter-stage Cooler
Lowers Temp.
Exothermic Equilibria
Lowers Temp
Lowers Conversion
Exothermic Equilibria
Maximize Selectivity
Number of moles of desired product formed per mole of
undesirable product formed
Overview
Parallel Reactions
A+BR (desired)
AS
Series Reactions
ABC(desired)D
Independent Reactions
AB (desired)
CD+E
Examples
Ethylene Oxide Synthesis
CH2=CH2 + 3O22CO2 + 2H2O
O
CH2=CH2 + O2CH2-CH2(desired)
Examples
Diethanolamine Synthesis
/
O\
CH 2 CH 2 NH 3 HOCH 2CH 2 NH 2
/
O\
O\
Examples
Butadiene Synthesis, C4H6, from Ethanol
C2 H 5OH C2 H 4 H 2O
C2 H 5OH CH 3CHO H 2
C2 H 4 CH 3CHO C4 H 6 H 2O
Rate Selectivity
Parallel Reactions
A+BR (desired)
A+BS
Rate Selectivity
SD/U
rD
rU
k D ( D U ) ( D U )
CB
CA
kU
T
T
Fractional Yield
1
CH 3CH 2OH ( g ) O2 CH 3CHO H 2O
2
5
CH 3CHO O2 2CO2 2 H 2O
2
(k2/k1)=f(T)
Engineering Tricks
Reactor types
Multiple Reactors
Mixtures of Reactors
Bypass
Recycle after Separation
Equilibrium constants
Must put in in the form
lnK=A+B/T+CT+DT2
ProMax
Reactor type and
Kinetics must match!!
Kinetics
Selectable units
Equilibrium constants