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157
ENGS 157
Chapter 7
Reactor Design
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Reactor Models
Chemical reactors are typically custom designed to involve:
Multiple phases (e.g. vapor, liquid, reacting solid, solid catalyst)
Different geometries (e.g. stirred tanks, tubular, nozzles,
membranes)
Various regimes of momentum, heat, and mass transfer (e.g.
viscous flow, turbulent flow, conduction, radiation, diffusion,
dispersion)
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Kinetic models
useful for sizing
reactors
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v A 0,i 1,..., R
ij
j1
2H2 + CO CH3OH
vij =
-2
-1
1
moles of k fed
nk, in
0 Xk 1
(fractional conversion)
Relative (dimensionless) value
moles of k reacted
nk, in nk, out
k
stoichiometric coefficient of k
vk
6
Units = moles/time
(molar extent)
Absolute value
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Grxn
aRr aSs ...
a b
K (T ) exp
RT a A aB ...
rxn
K
ai
= equilibrium constant
= component activity
Gi
Grxn
= Gibbs energy of reaction
rG sG ... aG bG ...
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Gibbs Energy, G
Grxn > 0
Grxn = 0
Grxn = 0 equilibrium
Molar Extent,
where
G NiG i
i 1
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Systemvolume
Fjo
Gj
rateofflowjin + rateofformation
jbyreaction
Fjo
Gj
Fj
rateofflowjout
Fj
Fj
Fjo
13
moles
time
r dV
j
moles
volume time * volume
rateofaccumulation
ofjwithinsystem
dNj
dt
dNj
dt
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CSTRs
Molebalanceequation:
V
Fjo
r dV
Fj
dNj
dt
r dV r V
j
Steadystate
perfectmixingnospatialvariationinrate
CSTRdesignequation:
V
FjoFj+Vrj=0
Fjo - Fj
- rj
mole/time
mole/(time * volume)
14
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CSTRs
Intermsofconcentration:
voCjo - vCj
V
- rj
wherev=volume/time
AnimportantcharacteristicofCSTRs:
Cj|tank=Cj|exitstream
Cjo
Cj
Concentrationinexitstreamis
sameasthatinthetank
Truefortemperatureandconversion,too
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PFRs
Now,considerplugflowreactor(PFR)
Alsoreferredtoastubularreactors
Assumptions:
Perfectradialmixing;dC/dr=0
Noaxialmixing(plugflow)
Perfectradialmixing
Noaxialmixing
Plugflow
16
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PFRs
Toderivedesignequation,applymolebalancetoadifferential
slice:
Fj
y y+y
Fj|yFj|y+y+rjV=0
Intermsofconcentration:
17
Intermsofreactor
volume:
Assume:
Vwellmixed,butadjacentVnot
Steadystate
Fj | y y - Fj | y
rj
V
d(vCj)
rj
dV
Fj
dFj
Fjo rj
lim
V 0
dFj
rj
dV
wherev=volumetricflowrate
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FA=FAo(1X)
MolebalanceforconstantV:
FAoX=rAV
DesignequationintermsofX:
FAoX
(-rA)exit
PFR:
Recalldifferentialmolebalance:
dFA
rA
dV
Molebalanceforentirereactor:
FA=FAo(1X)
d[FAo(1 - X)]
rA
dV
18
dX
FAo
rA
dV
(note:forAasreactant,
dFA,rAbothnegative)
dX
- rA
0
V FAo
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FA0
rA
(L)
20
FAoX
(-rA)exit
CSTR
dX PFR
- rA
0
CSTR
V FAo
15
10
5
19
LevenspielPlot
PFR
Q:WhatCSTRvolumeis
requiredtoachieve80%
conversion?
V20L
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 Q:HowaboutPFRvolume?
Willitbegreaterorless
X
thanforCSTR?
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CSTRs in Series
Consider2CSTRsinseries:the1stachieving40%conversion,
andthe2ndachieving80%
X1=0.4
30
25
FA0
rA
(L)
X2=0.4
20
15
V13.6L
10
V210L13.6Ltotal
CSTRsinseriesrequire
lessvolumethansingle
CSTR!
5
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
20
As#CSTRsinseries,
thetotalvolume
approachesthatofPFR
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23
Model
Description
RStoich
REquil
RGibbs
RCSTR
RPlug
RBatch
RYield
USER
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Selectivity
Can have multiple reactions in which desired product, D,
is formed and undesired product, U, is also formed
A
Parallel reactions:
D
k
A U U
Series reactions:
A k D D k U U
kD
rD rate of formation of D
rU rate of formation of U
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Selectivity
Overall selectivity:
ND
Final moles of desired product
continuous
batch
Reactor cost
Cost
Reaction Selectivity
29
Separator cost
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kD
kU
rD kDCA1
rU kU CA2
rA rD rU
Instantaneous selectivity:
30
SD/U
rA kDCA1 kU CA2
rD kD 12
CA
rU kU
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Let a 1 2 SD/U
rD kD a
CA
rU kU
Run gas-phase reactions w/o inerts at high P; run liquid-phase reactions with
minimal diluents
Use batch or PFR reactor, NOT CSTRin batch and PFR, CA starts high and
drops progressively; in CSTR, CA always at lowest value (i.e. outlet concentration)
Case 2: 2 > 1
Let b 2 1 SD/U
31
rD
kD
kD
rU kU CA 2 1 kU CAb
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SD/U
ED EU
kD AD
~
exp
kU AU
RT
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Excess Reactant B
Product
A
Reactor
Separator
B
B
CW, cold stream
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A
B
Reactor
Separator
S
S
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Cold/Hot Shots
B (cold feed)
Reactor
Reactor
More A
36
Reactor
More A
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External Heating/Cooling
Feed
Coolant
Reactor
Cooler
External heat
exchanger,
jacket, or
internal coils
Product
37
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Intercoolers
B
A
38
Reactor
Reactor
Reactor
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