Fall

08
15

SPRING

CHEMICAL REACTION
ENGINEERING (CHEG-511)
PROJECT
SUBMITTED TO: DR KEAN WANG
ABDUL FAHIM ARANGADI
AKHIL MAMMOOTTIL ABRAHAM
OMAR BASHEER WANI
RAMEES KHALEEL RAHMAN
SHAIHROZ KHAN

920018777
920018779
920019190
920018302
920018775

C H E M I C A L E N G I N E E R I N G D E P T, T H E P E T R O L E U M I N S T I T U T E , A b u
Dhabi

QUESTION:
The following E(t) curve was obtained from a tracer test on a tubular reactor in
which dispersion is believed to occur.

E(t) vs t

E(t) vs t

0.25

0.25

0.2

0.2

0.15

0.15

0.1

0.1

0.05

0.05

0
0

10

12

Part 1

A B

10

12

14

16

Part 2

with kCA0 = 2 min-I

A second-order reaction is to be carried out in this reactor. There is no dispersion

occurring either upstream or downstream of the reactor, but there is dispersion
inside the reactor. Find the quantities asked below.
(a) What is the mean residence time tm?
(b) What is the variance?
(c) What conversions do you expect from an ideal PFR and an ideal CSTR in a real
reactor with tm?
(d) What is the conversion predicted by (1) the segregation model? (2) the
maximum Mixedness model?
(e) What conversion is predicted by an ideal laminar flow reactor?

ANSWER:
Part 1:
a) Here we have E(t) vs t as below

E(t) vs t
0.25
0.2
0.15
0.1
0.05
0

10

12

We have

E ( t ) dt=1=Area of traingle= 12 2t 10.2

0

This implies that t1=5 min.

Now the function E (t) can be represented as below

t
if t <5
25

E ( t ) = 1
( t10 ) if 5<t<10
25
0 ot h erwise
Now to find tm, we have

tm= tE ( t ) dt
0

Substituting E (t), we have

10

tt
t1
tm=
dt +
( t 10 ) dt
25
0 25
5
This implies,

tm=5 mins=t 1
b) To find the variance consider the function

t
if t <5
25

E ( t ) = 1
( t10 ) if 5<t <10
25
0 ot h erwise
Equation for variance could be written as

= (ttm )2 E ( t ) dt
2

2= ( t 22ttm+t m2) E ( t ) dt
0

t 2 E ( t ) dt2 tm tE ( t ) dt + t m2 E ( t ) dt
0

2=
0

tE ( t ) dt=tm
0

E ( t ) dt=1
0

= t 2 E (t ) dtt m2
2

Plug E(t) in the above equation we get

5

10

t
t 1
= t
dt+
(t+10 )52
25
0
5 25
2

Hence variance was found to be

4.167 minut e2
c) We are given a second order reaction:

With

A B

r a=k C 2a

Case for Ideal CSTR:

The design equation for a CSTR is:

F A 0 X=r a V

F A 0 X=k C 2a V
2

F A 0 X=k C A 0 ( 1X ) V

C A 0 vX=k C 2A 0 ( 1 X )2 V ; [ F A 0=C A 0 v ]

X
=k C A 0
2
(1 X)

On simplifying;

Substituting

X =0.382

=5

mins and

[ = v

k C A 0=0.2 min1

in the above equation we get

Case for Ideal PFR:

FA 0

The design equation for a PFR is:

FA 0

dX
=
dV

CA 0 v

dX
=
dV

dX
=r a
dV

k C A 0 ( 1X )

k C a=

k C A 0 ( 1X )

F A 0=C A 0 v ]
dX
=
dV

k C A 0 ( 1X )2

k CA 0
dX
=
dV
v
(1 X)2
X

kC
dX 2 = v A 0 dV
0 ( 1X )
0

On integrating we get:

Substituting

=5

X=

k CA 0
1+k C A 0

mins and

X =0.5

c) For Segregation Model,

We have the equation

k C A 0=0.2 min1

in the above equation we get

= XE ( t ) dt
0

As we know the function X and E(t), we use Polymath to obtain results.

t
if t <5
25

E ( t ) = 1
( t10 ) if 5<t <10
25
0 otherwise

And

The polymath solution is:

Calculated values of DEQ variables

1
2
3
4
5
6
7
8
9

Varia
ble

Initial
value

Minimal
value

Maximal
value

Final
value

0.1997902 0

E1

0.4

0.4

E2

0.4

0.4

k1

0.2

0.2

0.2

0.2

10.

10.

t1

10.

10.

10.

10.

tav

5.

5.

5.

5.

0.6666667

0.66666
67

xbar

0.4767522

0.47675
22

X=

k CA 0t
1+k C A 0 t

Differential equations
1

d(xbar)/d(t) = X*E

Explicit equations
1
2
3
4
5
6
7

tav = 5
k1 = 0.2
t1 = 2*tav
X = k1*t/(1+k1*t)
E1 = t/tav^2
E2 = -(t-t1)/tav^2
E = if(t<tav) then (E1) else (if(t<=t1) then (E2) else (0))

Conversion X was found to be 0.4767

Now to calculate the Maximum Mixedness Model

KCAO= K
We have the equation for maximum mixedness as shown below

E ( T z )
dX
ra
=(
+
X)
dz
C A 0 1F ( T z )

r A =K C 2A=K C 2A 0 (1X )2

2
E ( T z )
dX k (1X )
=

X
dz
1
1F ( T z )

Polymath results are shown below

Calculated values of DEQ variables

Variable

Initial value

Minimal value

Maximal value

Final value

0.1940907

E1

0.8

0.8

E2

-0.4

-0.4

0.4

0.4

0.9999

-8.741E-05

0.9999

-8.741E-05

Iam

20.

20.

0.2

0.2

0.2

0.2

t1

10.

10.

10.

10.

tau

5.

5.

5.

5.

0.6666049

0.4669388

10

20.

20.

Differential equations
1
2

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

Explicit equations
1
2

k = 0.2
Iam = 20-z

3
4
5
6
7

tau = 5
E1 = Iam/tau^2
t1 = 2*tau
E2 = -(Iam-t1)/tau^2
E = if (Iam<tau) then (E1) else(if (Iam<=t1) then(E2)else (0))

From the table above, Final conversion X is 0.467.

d) Laminar flow Reactor
For a LFR, 2nd order, liquid phase, irreversible reaction kCA0 =0.2 min-1, =
5 min.
We apply the segregation model, using polymath:

X=

k CA 0
1+k C A 0

And

E(t) =

0 for t< 2.5 min

25
min1 for t 2.5 min
3
2t

= XE ( t ) dt
0

X
Now using these equations we can get the result, using polymath
Calculated values of DEQ variables

1
2
3
4
5
6
7

Variab Initial
le
value

Minimal
value

Maximal
value

Final
value

0.0472554

4.63E-07

E1

1.25E+05 4.63E-07

1.25E+05

4.63E-07

kcao

0.2

0.2

0.2

0.2

300.

300.

t1

2.5

2.5

2.5

2.5

tau

5.

5.

5.

5.

0.9836066

0.983606
6

0.4506243

0.450624

8 xbar

3
Differential equations
1

d(xbar)/d(t) = x*E

Explicit equations
1
2
3
4
5
6

kcao = 0.2
tau = 5
E1 = tau^2/2/(t^3+ 0.0001)
t1 = tau/2
E = if (t< (E1) else (0) then>
x = kcao*t/(1 +kcao*t)

The Conversion Xbar is = 0.45 which can be seen from the result obtained.

For Part 2:
a) Here we have E(t) vs t as below

E(t) vs t
0.25
0.2
0.15
0.1
0.05
0

10

12

14

E(t) vs t

We have

E ( t ) dt=1=Area of traingle= 12 t0.2

0

This implies that t=10 mins.

Now the function E (t) can be represented as below

1
E ( t ) = 50 ( t15 ) for 5< x <15
0 ot h erwise
Now to find tm, we have

tm= tE ( t ) dt
0

Substituting E (t), we have

16

15

tm=
5

t1
( t15 ) dt
50

This implies,

tm=

25
mins=8.33 mins
3

b) As shown in equation 1

= t 2 E (t ) dtt m2
2

Residence time distribution function was found out to be

1
E ( t ) = 50 ( t15 ) for 5< x <15
0 ot h erwise

Substituting the value of E(t) in equation (1) we get

15

2= t 2(
5

1
( t15 ))8.332
50

Hence variance was found to be

5.611 minut e 2

c) We are given a second order reaction:

With

r a=k C a

Case for Ideal CSTR:

A B

The design equation for a CSTR is:

F A 0 X=r a V

F A 0 X=k C a V
F A 0 X=k C 2A 0 ( 1X )2 V
2

[ F A 0=C A 0 v ]

C A 0 vX=k C A 0 ( 1 X ) V

X
=k C A 0
2
(1 X)

On simplifying;

Substituting
get

=8.33

k C A 0=0.2 min

mins and

[ = v

in the above equation we

X =0.618

Case for Ideal PFR:

The design equation for a PFR is:

FA 0

FA 0

dX
=
dV

CA 0 v

dX
=
dV

dX
=r a
dV
k C 2A 0 ( 1X )2

k C 2a=

k C 2A 0 ( 1X )2

F A 0=C A 0 v ]
v

dX
=
dV

k C A 0 ( 1X )

k CA 0
dX
=
dV
2
v
(1 X)
X

kC
dX 2 = v A 0 dV
0 ( 1X )
0

On integrating we get:

Substituting
get

=8.33

X=

k CA 0
1+k C A 0

mins and

k C A 0=0.2 min1

in the above equation we

X =0.62

d) For Segregation Model,

We have the equation

= XE ( t ) dt
0

As we know the function X and E(t), we can input them in Polymath to obtain
results.

Where,

1
E ( t ) = 50 ( t15 ) for 5< x <15
0 otherwise

The polymath solution is

Calculated values of DEQ variables
Varia
ble

Initial
value

Minimal
value

Maximal
value

Final
value

and

X=

k CA 0t
1+k C A 0 t

1
2
3
4
5
6

0.2

E1

0.2

0.2

k1

0.2

0.2

0.2

0.2

5.

5.

15.

15.

0.5

0.5

0.75

0.75

xbar

0.6137056

0.61370
56

Differential equations
1

d(xbar)/d(t) = X*E

Explicit equations
1
2
3
4

k1 = 0.2
X = k1*t/(1+k1*t)
E1 = -(t-15)/50
E = if(t>5) and (t<15) then (E1) else (0)

From the table above, Final conversion X is 0.613.

Now to calculate conversion for the Maximum Mixedness Model

KCAO= K
We have the equation for maximum mixedness as shown below

E ( T z )
dX
ra
=(
+
X)
dz
C A 0 1F ( T z )

r A =K C A=K C A 0 (1X )

2
E ( T z )
dX k (1X )
=

X
dz
1
1F ( T z )

Polymath results are shown below

Calculated values of DEQ variables
Variable

Initial value

Minimal value

Maximal value

Final value

1 E

0.1969455

2 E1

-0.1

-0.1

0.3

0.3

3 F

0.9999

-0.0001

0.9999

-0.0001

4 Iam

20.

20.

5 k

0.2

0.2

0.2

0.2

6 x

0.6031296

0.6031296

7 z

20.

20.

Differential equations
1
2

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

Explicit equations
1
2
3
4

k = 0.2
Iam = 20-z
E1 = -(Iam-15)/50
E = if ((Iam<15) and (Iam>5)) then (E1) else (0)

So the Final Conversion for Max Mixedness is 0.603 which is less than the
segregation model conversion for the same tracer profile.

e) Laminar flow Reactor

For a LFR, 2nd order, liquid phase, irreversible reaction kC A0 =0.2 min-1, =
8.33 min.
We apply the segregation model, using polymath:

k CA 0
X=
1+k C A 0

And

E(t) =

0 for t< 4.165 min

69.38
min1 for t 4.165 min
3
2t

= XE ( t ) dt
0

X
The conversion Xbar is calculated from Polymath as:
Calculated values of DEQ variables
Variable

Initial value

Minimal value

Maximal value

Final value

1 E

0.1300175

1.285E-06

2 E1

6.939E+05

1.285E-06

6.939E+05

1.285E-06

3 kcao

0.2

0.2

0.2

0.2

4 t

300.

300.

5 t1

4.165

4.165

4.165

4.165

6 tau

8.33

8.33

8.33

8.33

7 x

0.9836066

0.9836066

8 xbar

0.5713027

0.5713027

Differential equations
1
d(xbar)/d(t) = x*E
Explicit equations
1
2
3
4
5
6

kcao = 0.2
tau = 8.33
E1 = tau^2/(2*t^3+ 0.0001)
t1 = tau/2
E = if (t< (t1) then (0) else (E1)
x = kcao*t/(1 +kcao*t)

The graph of above result is:

As seen from the above graph the conversion for the is Xbar= 0.57