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CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7

1


1. The F curve is shown below for a real reactor



What is the mean residence time?

Solution:
min 5 . 2 ) 4 )( 5 . 0 ( ) 2 )( 5 . 0 (
2
1
) (
) (
) ( ) (
1
0 0
0
= + = = =
=
=

tdF dt t tE t
dt t E dF
dt t E t F
m
t


2. The following data were obtained from a tracer test to a reactor.

t (s) 0 5 10 15 20 25 30 35
C(t)

(mg/dm
3
) 0 0 0 5 10 5 0 0

(a) Plot C(t), E(t) and F(t) curves.
(b) Evaluate the mean residence time and the variance.

Solution:

(a) Plot C(t)



Plot E(t)
CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
2

100
) (
) (
) (
) (
100 ) 10 )( 20 30 (
2
1
) 10 )( 10 20 (
2
1
) ( Area
0
3
0
t C
dt t C
t C
t E
dm
s mg
dt t C
= =

= + = =


t(s) 0 5 10 15 20 25 30
C(t)(mg/dm
3
) 0 0 0 5 10 5 0
E(t) (s
1
) 0 0 0 0.05 0.1 0.05 0



0 ) ( , 30 For
) 30 ( 01 . 0 ) ( ) ( , 30 20 For
) 10 ( 01 . 0 ) ( ) ( , 20 10 For
0 ) ( , 10 For
2
1
=
= =
= =
=
t E t
t t E t E t
t t E t E t
t E t


Plot F(t)

5 . 3 3 . 0 005 . 0 ) 30 ( 01 . 0 5 . 0 ) ( 5 . 0 ) ( , 30 20 For
5 . 0 1 . 0 005 . 0 ) 10 ( 01 . 0 ) ( 0 ) ( , 20 10 For
) ( ) (
2
20 20
2 2
2
10 10
1 1
0
+ = + = + =
+ = = + =
=

t t dt t dt t E t F t
t t dt t dt t E t F t
dt t E t F
t t
t t
t




(b) s dt t t dt t t dt t tE dt t tE dt t tE t
m
20 ) 30 )( 01 . 0 ( ) 10 )( 01 . 0 ( ) ( ) ( ) (
30
20
20
10
30
20
2
20
10
1
0
= + = + = =


2 2
30
20
2
2
20
10
1
2 2
0
2
0
2 2
6 . 16 ) ( ) ( ) ( ) ( ) ( s t dt t E t dt t E t t dt t E t dt t E t t
m m m
= + = = =



CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
3

3. A pulse input (N
0
=1 mol, v =4 liters/min) to a vessel gives the results shown in the
following figure.
(a) Check the material balance with the tracer curve to see whether the results are
consistent.
(b) If the result is consistent, determine the volume of the vessel V, the mean residence
time t
m
, and sketch the E(t) curve.




Solution

(a) Check to see if the results are consistent
By material balance:
lit
mol
lit
mol
v
N
Area
min
25 . 0
min / 4
1
0

= = =
From the graph:
lit
mol
lit
mol
Area
min
25 . 0 min) 5 )( 05 . 0 (

= =
So the results are consistent.

(b)
1
0
min 2 . 0
25 . 0
05 . 0
25 . 0
) (
) (
) (
) (

= = = =

t C
dt t C
t C
t E



lit 10 min) / lit 4 min)( 5 . 2 (
min 5 . 2 ) 2 . 0 ( ) (
0
5
0
= = = = =
= = =

v t V
v
V
t
dt t dt t tE t
m m
m



CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
4

4. The first-order reaction, B A , with
1
min 8 . 0

= k is carried out in a real reactor with the
following RTD function


For 2 0 t then
2 2
) ( ) ( = t t E min
-1
(hemi circle)
For 2 > t then 0 ) ( = t E
(a) What is the mean residence time?
(b) What is the variance?
(c) What is the conversion predicted by the segregation model?
(d) What is the conversion predicted by the maximum mixedness model?


Solution
(a) Mean residence time
By definition

=
0
1 ) ( dt t E . The area of the semicircle representing the E(t) is given by
1
2
2
= =

A and

2
= . For constant volumetric flow min 8 . 0
2
= = =

m
t .
(b) Variance

= =


2
0
2 2 2
0
2 2
) ( ) ( ) ( ) ( dt t t dt t E t

Using polymath:

159 . 0
2
=

Polymath results

POLYMATH Report

Ordinary Differential Equations 29-Nov-2010

Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 E 0 0 0.7980869 0.0166534
2 E2 0 0 0.7980869 0.0166534
3 sigma 0 0 0.1593161 0.1593161
4 t 0 0 1.596 1.596
5 t1 1.596174 1.596174 1.596174 1.596174
6 tau 0.7980869 0.7980869 0.7980869 0.7980869

Differential equations
1 d(sigma)/d(t) = (t-tau)^2*E
CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
5


Explicit equations
1 tau = (2/3.14)^0.5
2 t1 = 2*tau
3 E2 = (t*(2*tau-t))^(1/2)
4 E = if (t<t1) then (E2) else (0)



(c) Conversion predicted by the Segregation model

=
0
) ( ) ( dt t E t X X

kt
e t X

=1 ) (


( ) dt t e X
kt
2 / 1
2
0
2 2
) ( 1

=




Using Polymath

445 . 0 = X

Polymath Results

POLYMATH Report

Ordinary Differential Equations 29-Nov-2010

Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 E 0 0 0.7980865 0.0166534
2 E2 0 0 0.7980865 0.0166534
3 k 0.8 0.8 0.8 0.8
4 t 0 0 1.596 1.596
5 t1 1.596174 1.596174 1.596174 1.596174
6 tau 0.7980869 0.7980869 0.7980869 0.7980869
7 X 0 0 0.7210716 0.7210716
CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
6

8 Xbar 0 0 0.4447565 0.4447565

Differential equations
1 d(Xbar)/d(t) = X*E

Explicit equations
1 tau = (2/3.14)^0.5
2 t1 = 2*tau
3 E2 = (t*(2*tau-t))^(1/2)
4 E = if (t<t1) then (E2) else (0)
5 k = .8
6 X = 1-exp(-k*t)



(d) Conversion predicted by the Maximum Mixedness model
X
F
E
C
r
d
dX
A
A
) ( 1
) (
0


+ =

) 1 (
0
X kC kC r
A A A
= =


X
F
E
X k
d
dX
) ( 1
) (
) 1 (


+ =

= 596 . 1 ,
) ( 1
) (
) 1 ( z X
F
E
X k
dz
dX

(we need to change the variable such the integration proceeds forward)

Using Polymath

445 . 0 = X

X =0.445 as for the Segregation Model, but we knew this because for first order
reactions X
Seg
=X
MM
.

Polymath Results
POLYMATH Report

CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
7

Ordinary Differential Equations 29-Nov-2010

Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 E 0.0166534 0 0.7980866 0
2 E1 0.0166534 0 0.7980866 0
3 F 1. -0.0005053 1. -0.0005053
4 k 0.8 0.8 0.8 0.8
5 lam 1.596 0 1.596 0
6 tau 0.7980869 0.7980869 0.7980869 0.7980869
7 x 0 0 0.4445289 0.4445289
8 z 0 0 1.596 1.596

Differential equations
1 d(x)/d(z) = -(-k*(1-x)+E/(1-F)*x)
2 d(F)/d(z) = -E

Explicit equations
1 k = .8
2 lam = 1.596-z
3 tau = (2/3.14)^0.5
4 E1 = (tau^2-(lam-tau)^2)^0.5
5 E = if (lam<=2*tau) then (E1) else (0)



CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
8

[Discussion Topics]

1. A liquid macrofluid reacts according to R A as it flows through a vessel. Find the
conversion of A for the following flow patterns and kinetics.



Solution
(a) Using the segregation model, dt t E t X X
batch
) ( ) (
0
=


For a batch reactor we have

0 A
A
C
r
dt
dX
=
From the reaction kinetics, we have
zero order reaction, min mol/lit 3 =
A
r and mol/lit 6
0
=
A
C
Solving for X(t), we have

2min for t 1, X
min 2 for , 5 . 0 5 . 0 ) (
> =
= = t t X t t X

From the flow pattern (a), we have
3 t 0 for , min
3
1
) (
1
=

t E
Therefore, the mean conversion for a zero order reaction is

3
2
)
3
1
( ) 1 ( )
3
1
( ) 5 . 0 (
3
2
2
0
= + =

dt dt t X

(b) For a batch reactor we have

0 A
A
C
r
dt
dX
=
From the reaction kinetics, we have
zero order reaction, min mol/lit 03 . 0 =
A
r and mol/lit 1 . 0
0
=
A
C
Solving for X(t), we have:

min 33 . 3 for t 1, X
min 33 . 3 for , 3 . 0 3 . 0 ) (
> =
= = t t X t t X

CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
9

From the flow pattern (b), we know nothing leaves the reactor before 4 min, so
everything has reacted. 1 = X

2. A step tracer input was used on a real reactor with the following results:
For 10 t min, then C
T
=0
For 30 10 t min, then C
T
=10 g/dm
3

For 30 > t min, then C
T
=40 g/dm
3

The second-order reaction B A with min /mol dm 1 . 0
3
= k is to be carried out in the real
reactor with an entering concentration of A of 1.25 mol/dm
3
at a volumetric flow rate of 10
dm
3
/min. Here k is given at 325 K.
(a) What is the mean residence time t
m
?
(b) What is the variance?
(c) What conversion do you expect from an ideal PFR, an ideal CSTR, and a real reactor
with the same t
m
?
(d) What is the conversion predicted by the Segregation model and the Maximum Mixedness
model?


Solution
(a) The cumulative distribution function F(t) is given:



The real reactor can be modeled as two parallel PFRs:



The relative 30min min, 10 ), (
4
3
) (
4
1
) (
2 1 2 1
= = + = t t t E
Mean residence time

= + = =
1
0
min 25 ) 75 . 0 )( 20 ( ) 1 )( 10 ( tdF t
m

or
CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
10


min 25
4
3
4
1
) (
4
3
) (
4
1
) (
2 1
0 0
2 1
= + =

+ = =


dt t t t dt t tE t
m

(b) Variance:
2 2 2 2
2
2
1
0 0
2 1
2 2 2
min 75 ) 25 30 (
4
3
) 25 10 (
4
1
) (
4
3
) (
4
1

) (
4
3
) (
4
1
) ( ) ( ) (
= + = + =

+ = =


m m
m m
t t
dt t t t t dt t E t t




(c) Conversion X from an ideal PFR, an ideal CSTR, and a real reactor.

For a PFR, second-order, liquid phase, irreversible reaction with min /mol dm 1 . 0
3
= k ,
min 25 = and
3
0
mol/dm 25 . 1 =
A
C
758 . 0
1
0
0
=
+
=
A
A
C k
C k
X



For a CSTR, second-order, liquid phase, irreversible reaction with min /mol dm 1 . 0
3
= k ,
min 25 = and
3
0
mol/dm 25 . 1 =
A
C

572 . 0
) 1 (
0
2
= =

X C k
X
X
A



For two parallel PFRs, min 10
1
= and min 30
2
= ,
0 01
4 / 1
A A
F F = and
0 02
4 / 3
A A
F F = ,
second-order, liquid phase, irreversible reaction with min /mol dm 1 . 0
3
= k , min 25 =
and
3
0
mol/dm 25 . 1 =
A
C

3
0 1
0 1
0 1
/ 556 . 0 )
1
1 ( dm mol
C k
C k
C C
A
A
A A
=
+
=



3
0 2
0 2
0 2
/ 263 . 0 )
1
1 ( dm mol
C k
C k
C C
A
A
A A
=
+
=


731 . 0
4
3
4
1
0 0
2 0 1 0 0 0
=

=
A
A A A
C v
C v C v C v
X


(d) Conversion predicted by the Segregation model.
731 . 0
1 4
3
1 4
1

) (
4
3
) (
4
1
1
) ( ) (
2 0
2 0
1 0
1 0
0
2 1
0
0
0
=
+
+
+
=

+
+
= =


A
A
A
A
A
A
kC
kC
kC
kC
dt t t
t kC
t kC
dt t E t X X

CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
11

Conversion predicted by the Maximum Mixedness model
X
F
E
X kC
d
dX
X kC kC r
X
F
E
C
r
d
dX
A
A A A
A
A
) ( 1
) (
) 1 (
) 1 (
) ( 1
) (
2
0
2 2
0
2
0

+ =
= =

+ =


We need to change the variable such the integration proceeds forward:

X
z T F
z T E
X kC
dz
dX
A
) ( 1
) (
) 1 (
2
0


=

Solved by Polymath:

706 . 0 = X

POLYMATH Report POLYMATH Report
Ordinary Differential Equations 29-Nov-2010

Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 ca 1.25 0.3593529 1.25 0.3672986
2 cao 1.25 1.25 1.25 1.25
3 E 0 0 1.25 0
4 E1 1.25 1.25 1.25 1.25
5 E2 1.25 1.25 1.25 1.25
6 E3 0 0 0 0
7 EF 0 0 2.427988 0
8 F 0.9999 -0.0001081 0.9999 -0.0001081
9 k 0.1 0.1 0.1 0.1
10 lam 40. 0 40. 0
11 ra -0.15625 -0.15625 -0.0129134 -0.0134908
12 t1 10. 10. 10. 10.
13 t2 30. 30. 30. 30.
14 x 0 0 0.7125177 0.7061611
15 z 0 0 40. 40.

Differential equations
1 d(x)/d(z) = -(ra/cao+E/(1-F)*x)
2 d(F)/d(z) = -E
CN2116 Homework Set #7 (due 14-03-2011) CN2116-XJ P-2011-HW7
12


Explicit equations
1 cao = 1.25
2 k = .1
3 lam = 40-z
4 ca = cao*(1-x)
5 t1 = 10
6 t2 = 30
7 E3 = 0
8 ra = -k*ca^2
9 E2 = 0.75/(t2*2*(1-0.99))
10 E1 = 0.25/(t1*2*(1-0.99))
11
E = if ((lam>=0.99*t1)and(lam<1.01*t1)) then (E1) else( if ((lam>=0.99*t2)and(lam<1.01*t2)) then (E2) else
(E3))
12 EF = E/(1-F)


Summary
X
CSTR
X
MM
X
Seg
X
PFR
X
Real

0.572 0.706 0.731 0.758 0.731

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