CHBE 355 Assignment 2

Due: March 15

Problem 1

The gas-phase dimerization 2A → B follows an elementary rate law and takes place
isothermally in a PBR charged with 1 kg of catalyst. The feed consists of pure A and
enters the reactor at a pressure of 20 atm. The conversion exiting the PBR is 30% and
the pressure at the exit is 5 atm.

(a) If the PBR were replaced by a fluidized CSTR with 1 kg of catalyst, what will
be the conversion at the exit of the CSTR? Assume that the pressure drop in a
fluidized CSTR is negligible.

(b) What would be the conversion in the PBR if the mass flow rate was decreased
by a factor of 4 and the particle size was doubled? Assume that flow in the
reactor remains turbulent under these conditions.

Problem 2

The elementary gas-phase reaction A + B → C + D takes place isothermally in a PBR.

The reactor has a cross-sectional area of 8 x 10-3 m2 and comprises catalyst particles
with a diameter of 1 mm. βo for this reactor is estimated to be 0.01 atm/m. The inlet
stream to the reactor comprises a stoichiometric mixture of A and B at a total molar
flow rate of 10 mol/min, a temperature of 590 K and a pressure of 20 atm. Under these
conditions, the flow can be assumed to be turbulent. The reactor gives a conversion
of 12% when it is loaded with 100 kg of catalyst. We will cover these concepts in
greater detail in our module on mass transfer. However, for the time being, you are
told that conversion can be modulated by changing the diameter of the catalyst
particles. Plot conversion as a function of catalyst size and comment on this
relationship.

Problem 3

You would like to undertake the following gas-phase reaction in an isothermal PBR:

A+B → C

Since you are unsure of the reaction rate expression or the rate constant, you study
the reaction under very similar physicochemical conditions in a batch reactor of
constant volume. Since there are two reactants involved, you perform two experiments
in succession. The concentration-time data from these experiments have been
summarized in the Excel file A3P3.xls. Determine the rate expression and the
reaction rate constant.
You now operate the PBR at 220oC. The pressure and volumetric flowrate of the inlet
are 3 atm and 300 L/min. The mole fraction of A at the inlet is 0.75 and the density of
the catalyst is 8 kg/L. The Ergun parameter, α, is 0.01 kg-1. If the mass of the catalyst
bed is 40 kg, what is the conversion of A at the exit?

Problem 4

You would like to undertake the following gas-phase reaction in an ideal, isothermal
PFR:

A → 2B

This is the overall reaction. You do not know the reaction order or the rate constant.
Fortunately, since there is only one reactant, you perform a quick experiment in a batch
reactor with constant volume to determine these parameters. The concentration-time
data from the experiment have been summarized in the Excel file A3P4.xls.
Determine the rate expression and the reaction rate constant.

The PFR is operated at 100oC and the pressure is maintained at 2.5 atm. The
volumetric flowrate and mole fraction of A at the inlet are 20 L/min and 0.50,
respectively. What volume is needed to achieve an exit conversion of 40% for A?

Problem 5

Species A undergoes the following liquid-phase parallel reactions:

k1 rB = k1
A→B

k2 rC = k2 CA
A→C

k3
A→D rD = k3 C3A

Species C is the desired product. If k1, k2 and k3 are estimated to be 5 M h-1, 2.5 h-1
and 1.25 M-2 h-1 and the initial concentration of species A is 10 M:

(a) What is the concentration of A that maximizes the yield of the desired product
in a CSTR?

(b) What is the residence time that maximizes selectivity of the desired product in
an ideal CSTR?

(c) If the species were gases and the reactions were undertaken in an isothermal
PBR, write the governing equations and possible initial values for the system.
 0 Pent: John
1kg
B W = X = 3
24 -> .

Posit = S alm
Y exit =
0 25.

Un ke
1
=
z = / -

=
-
0 5 .

Ca = C Yen't
(1 + 2x)
Fro
= --

Un =

-
-
Uno
-no => Fro =
Un -boy)
Yemi
A Agent o Agent i [C yeni-
-
2

* (I e
=
-
+

Genit Its of
PBR with
CSTR with
catalyst
) Replacing 7kg" using pythe
[L
·
*
solving for Welkg
2 =
0
For CSTR-W =*
.

X = 0 4
zr/ 24
.

2
,

b) For Imbulent flow ,

< = x (G2/Dp) &
2
= 4x 2
,
= 4 X0 7 .
=
2 a
8

& =

J/)) =>
J >) Calckling using pylton
X = 0 86
.

ons" (i) (c)

.

=> < =
0 . 0326
.
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B 1 a
IS defined

assume a catalystdensity
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conditions as the particlediametershrinks

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 A + B >
- C .

From fire
the we
set a linear
slope after
plotting -

va = KGG (first order reaction)

In [A] = -kt + m [A] => M=-k

20 002 + 2 3035 => K -20 024
y
-
.

= .
= .

&

Co 0
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T802 493
=
=> .

0 +

th one
raxy
* - = =

Flo
Fro =
(300X0 75) (o
.
= 16 69 .

= - Where X = 0 01 .

y solve W =

40kg
using pjerion
to

X
=
41 .
A %.
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for X 0.4 in PFR

4 ra RCI
zeroorder dff th Cacao kt
plot Ca vs I

sustain defence affect order

second father ta ta let
not in Yal us t plot Yca us t

closest tolinearity is with the

second order case
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n
afflict e yrs 0.512 1 0.5

E da Idr Far caokkfv.it h sisio

Fao 0 81695mollain
0.6469Eam 0816459min
0.833762 631.44 L
1204min
 A ESB VB = K,

A ESC Vc =
Kat
A & D
Up +
KsC
a) Maximum yield of desired
product c

Y =

=
KaCa
~

A Katlg
manimised at CA = 1 . 21M

b) for Yc = 0 3.
maximising select
.

viny
.

Se/BtD
= = nee
maximised at 6 = 1 21.

Sc/B + D = 0 42 .

do for a CstR
T2V Co 26b
=
A 0
82hr (3)
= -

=
.

x 1 2
Un
.

T
*
1 + k2C + KzCp
↓ If the spenes were
gases and reaction was undertaken in PBR
if you look at the
graph and
↳
o
Aquit ,
ISTR

CSTR lake
selectivity of C usoltemef)

1
you derectly
can
from
also

i
to B it pt
A pt as

functioning
-

- (STR -

a constant
ays at
concentration So
B .
, from the
UTR
will want to
you exit at A crit
Astat conc
Iurhea
selectivity and
. .

yield is manimum
O
>
-

Ca
i> In Hi case)
However
,
only Ca Caerit has been converted to
products. To convect
-

entirely (
of Scrit to
products you can now use PFR Or PBR I increase
inversion
So initial value for for Ca PBR should be such that come in
.

of
whis
are
range
-

manimi is obtained
selectivity standard equation

·
*

Equation for R will be same

i Go ais
e
Va
-

Riklatial
= =**(I + EYA)
de
dan- 2
Ex
del Far

> En