3/13/2014

Models for Predicting Conversion

mahfud.its@gmail.com

Modeling the real reactor as a CSTR and a PFR in series

(1) A highly agitated zone close to the impeller can be modeled as a perfectly mixed CSTR.
(2) The inlet and outlet pipe can be modeled as a PFR.
We combine them to model a real reactor.

0 whent < p

CSTR PFR (p) E(t ) = e(t p ) / s
whent p
(s) s
t
s
C = C0e delay by p E(t)
pulse injection
t s
e
E(t ) =

t
0 whent < p

PFR (p) CSTR E(t ) = e(t p ) / s
(s) whent p
t
s
delay by p C = C0e s

pulse injection t There is no difference in RTD

s
e
E(t ) = between (1) CSTR + PFR and (2)
PFR + CSTR !

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Modeling a second-order reaction system

A second-order reaction (CA0 = 1 kmol/m3) is carried out in a real CSTR

that can be modeled as two different reactor systems:
(1) CSTR + PFR
(2) PFR + CSTR
Find the conversion in each system where s = p = 1 min

(1) CSTR + PFR

CA0 CAi CA 1 0.382
CSTR PFR X= = 0.618
1
mass balance mass balance

2 dFA 2
v0 (CA0 CAi ) = kCAi V = kCA
dV

s kCAi 2 + CAi CA0 = 0 1

1
= pk
CA CAi

1+ 4 s kCA0 1
CAi = = 0.618 kmol / m3 CA = 0.382 kmol / m3
2k

(1) PFR + CSTR

CA0 CAi CA 1 0.366
PFR CSTR X= = 0.634
1
mass balance mass balance
2
dFA 2 v0 (CAi CA ) = kCA V
= kCA
dV
s kCA2 + CA CAi = 0
1 1
= pk
CAi CA0

CAi = 0.5 kmol / m3 CA = 0.366 kmol / m3

There is a difference in conversion between (1) CSTR + PFR and (2)

PFR + CSTR !
However, their RTDs are the same!
The RTD is unique for a particular reactor; however, the RTD alone is
not sufficient to determine the performance of reactors. (Other
characteristics include the quality of mixing, the degree of segregation ...
etc.)

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The conversion of the reactants in a reactor:

(1) how much time they stay in a reactor >>> RTD

(2) how they move in a reactor >>> Mixing

For a first-order reaction, the conversion is independent of concentration:

dNA N dX
rA = = kCA = k A0 (1 X ) = k (1 X )
Vdt V dt

Knowing the RTD is sufficient to predict conversion.

For reactions other than first-order, the degree of mixing of molecules must be
known in addition to how long each molecule spends in the reactor to predict
conversion.

Certain model of describing the degree of mixing is required to predict conversion!

Effects of Mixing
RTD predicts residence times, but does not
provide information on mixing.
For reactions other than 1st order, knowledge
of RTD alone is insufficient to predict reactor
performance, degree of mixing must also be
quantified.
Consequently, models that account for degree
of mixing must be developed.

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Models for Predicting Conversion

Models for predicting conversion using RTD data

from real reactors:
Zero adjustable parameters
Segregation model
Maximum mixedness model
One adjustable parameter
Tanks-in-series model
Dispersion model
Two adjustable parameters
Real reactor modeled as combinations of ideal reactors