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Material balance across the reactor:

Basis: 100 kgmol/hr of the isopropyl alcohol are entering in the reactor.
Since the solution used for the preparation of acetone is 87%. So the number of moles of
water entering in the reactor is calculated as:
weight percent =

weight of solute
Totalweight of solution

0.87=

Weight of IPA
(weight of IPA +weight of water )

0.87=

100 60
100 60+ weight of water

weight of water=

6000
6000=896.55 Kg/hr
0.87

896.55
=49.8 kgmol /hr
18
Moles of water enteringreactor =n
water ,=

Isopropyl alcohol(IPA)=100 kgmol /hr

Water=49.8 kgmol /hr


Acetone
Hydrogen
Water
Isopropyl alcohol

CH 3 CHOH CH 3 Cu/C CH 3COCH 3+ H 2

At a temperature of 350 C the conversion is 90%. So


Number of moles of acetone leaving reactor stream 5=nacetone ,5
100 0.90=90 kgmol /hr

Number of moles of hydrogen leaving reactor stream5=n hydrogen ,5


100 0.90=90 kgmol /hr
Number of moles of water leaving reactor stream 5=nwater ,5
49.8 kgmol /hr

Number of moles of isopropyl alcohol leaving reactor stream 5=nIPA , 5


100 0.10=10 kgmol/hr
Total number of moles leaving reactor stream 5=ntotal ,5
90+90+ 49.8+10=239.8 kgmol/hr

Mole fraction of acetonestream 5= y acetone ,5=

90
=0.375
239.8

Mole fraction of hydrogen stream5= y hydrogen ,5 =

90
=0.375
239.8

Mole fraction of water stream 5= y water ,5 =

50
=0.2083
239.8

Mole fractionof isopropyl alcohol stream5= y IPA ,5=

10
=0.0417
239.8

From material balance


Mass in

Mass of water in + Mass of IPA in =

Mass out
Mass of water out + Mass of IPA out +
Mass of acetone out + Mass of hydrogen out

6000 + 896.5

5220 + 180 + 600 + 896.5

6896.5 kg/hr

= 6896.5 kg/hr

So the material balance is justified.

Summary of material balance:

Component

Acetone
Hydrogen

Number of
moles entering
in reactor
-

Mass of
component
entering in reactor
-

Number of
moles leaving
from reactor
90 kgmol/hr
90 kgmol/hr

Mass of
component leaving
from reactor
5220 kg/hr
180 kg/hr

IPA
Water

100 kgmol/hr
49.8 kgmol/hr

6000 kg/hr
896.5 kg/hr

10 kgmol/hr
49.8 kgmol/hr

600 kg/hr
896.5 kg/hr

From the 100 kmol/hr of the isopropyl alcohol entering in the reactor the amount of the
acetone produced per year is 45700 tons, which is very close to the desired amount of the
product. So we are not applying the material balance again, but using these calculations in the
process.
So,
By using 100 moles of the isopropyl alcohol per hour the amount of acetone produced is
45700 ton per year.

1. Design of reactor
The reactor used in the process is fixed bed plug flow reactor.
13.1 Performance equation for the reactor:
The performance equation for the fixed bed plug flow reactor is:
XA

d Xa
W
=
F Ao 0 r A
Where W is the weight of the catalyst.
r A

F Ao

is the flow rate of the isopropyl alcohol.

is the rate of the reaction. The weight of the catalyst is found from this performance

equation.
Since the rate equation of reaction is
r IPA =K C IPA
In the form of conversion the rate equation becomes
r A=K C Ao

1X A
1+ A X A

Where
K=K o exp

[ ]
Ea
RT

By putting the values of conversion from 0 to 1 in rate equation we obtain the values of
r A . From this we find the values of 1/ r A . Plot the graph between and 1/ r A ,
the weight of catalyst can be calculated.

13.2

Table of and

From the rate equation:

XA

and r A

XA

r A

1
r A

0.0061

163.9344

0.1

0.004990909

200.3643

0.2

0.004066667

245.9016

0.3

0.003284615

304.4496

0.4

0.002614286

382.5137

0.5

0.002033333

491.8033

0.6

0.001525

655.7377

0.7

0.001076471

928.9617

0.8

0.000677778

1475.41

0.9

0.000321053

3114.754

13.3

Graph between

Graph between

XA

XA

and

and

1
r A

1
is:
r A

From this the area under the curve = 730


So
XA

dX

r A =730
0

13.4

Weight of catalyst

Weight of catalyst = W =

F Ao 730 = 100 730 = 73000 kg

13.5

Volume of catalyst

Density of copper particles==8940

Volumeof catalyst bed=V cat=

Kg
m3

W 73000
3
=
=8.16 m

8940

3
From the general gas equation the concentration of IPA = C Ao =0.025 mol/m

13.6

Space time

The time needed to treat the one reactor volume is called the space time.
=

W C Ao
kg . hr
=18.25
F Ao
m3

13.7 Catalyst particles size


The following shapes of catalyst are frequently used in applications:
20-100 m diameter spheres for fluidized-bed reactors.
0.3-0.7 mm diameter spheres for fixed-bed reactors.
0.3-1.3 cm diameter cylinders with a length-to-diameter ratio of 3-4.
Up to 2.5 cm diameter hollow cylinders or rings.
The void fractions for the spherical particles is between 0.4 to 0.41
The diameter of the copper particles selected (from the literature) = 0.3 mm with the void
fractions (Porosity = ) of 0.4
13.8 Volume of reactor
Volume of reactor=V r=

V cat
1

Volume of reactor=V r=

8.16
=13.6 m 3
10.4

13.9 Number of tubes


The preferred lengths of the tubes (according to the TEMA standard) should be is 6ft, 8ft,
12ft, 16ft, 20ft and 24ft (7.32 m).
So

Length of tube selected = 20 ft = 7.32 m

To calculate tube diameter


As we know that to prevent deviation from plug flow assumption
Dt
>15
Dp
Where Dt =diameter of tubeD p=diameter of particle
Assuming Diameter of tube = 70 mm
Dt 70
= =23.3>15
Dp 3

Volume of one tube= D2 L= ( 0.07 )2 7.32=0.028 m 3


4
4
Number of tubes=

Total volume
13.6
=
=485 tubes
Volume of one tube 0.028

13.10 Height of reactor (Shell)


Allowance of the reactor height is 20% - 50% of the shell height.
For our system assuming the allowance for shell is 20% of the tube height.
So
Shell height=7.32+2 0.20 ( 7.32 )=10.248 m
13.11 Diameter of reactor
Diameter of the shell is calculated by using the Harvey equation. Harvey equation is:

[ ( D K ) ]P ( D K ) ( nK + K
=
2

NT

Where

1.23 ( Pt )

N T =Number of tubes=485

D s=Diameter of shell=?
PT =Pitch of tube=1.25 Tube diameter=0.0875
The tubes used in triangular form. For triangular form
K 1=1.08, K 2=0.9, K 3=0.69, K 4=0.8
n=Number of passes=1
By putting all these values in the Harvey and solving, we have
D s=Diameter of shell=84.76 inch=7.06 ft =2.15 m
13.12 Verification of the assumptions
All the values assumed can be verified from the length to diameter ratio of the given reactor
and the pressure drop calculations. If the value of length to diameter ratio and pressure drop
lies within the limit of the fixed bed plug flow reactor then the design is accepted, otherwise
we have to perform the calculations again with the different assumptions.
13.12.1 Length to diameter ratio
For the plug flow reactor the length to diameter ratio lies between 3-5.
For the desired reactor
Length = 10.248 m
Diameter = 2.15 m
Length to diameter ratio for desired reactor =

10.248
2.15

= 4.766
For the desired reactor the length to diameter ratio is 4.766 lies between the allowable limit.
So the design is satisfactory.

Vessel Diameter (m)

Minimum thickness (mm)

1-2

2-2.5

2.5-3

10

3-3.5

12

2. Mechanical design of the reactor


14.1 Thickness of the reactor:
An estimate of the thickness of the shell is obtained from the diameter of the shell. The wall
thickness of any vessel should not be less than the values given below; the values include a
corrosion allowance of 2 mm:

Since the diameter of the vessel is 2.15 m, so from the above table the thickness of the shell is
9mm.
Thickness of the reactor shell = 9mm
14.2 Head selection and design
The ends of a cylindrical vessel are closed by heads of various shapes. The principal types
used are:

1. Flat plates and formed flat heads


2. Hemispherical head
3. Ellipsoidal head
4. Torispherical head

Flat head
Applicable to low
pressure
Cheapest from all
types

Torispherical head
Used up to the
operating pressure of
15 bar
Above 10 bars their
cost should be
compared with that of
an equivalent
ellipsoidal head

So the right choice of head is Torispherical head.


Thickness of head is calculated by:
e=

P i RC C S
2 Jf + Pi ( C s0.2 )

Where
e=Thickness of shell=?

C S=

( )

RC
1
3+
4
RK

Rc =Crown radius=Diameter of sell=2.15 m


Rk =Knuckle radius=0.06 R C
J =1( for no jointsthe head)

Ellipsoidal head
Above 15 bars
ellipsoidal head is
used
Economical within
pressure limits

Hemispherical head
Used for very high
pressures
Capital cost is high

f =Stress factor =80 ( for carbon steel )


So by putting the values of all the variables the value of thickness of head is:
e=2.5 mm

14.3 Vessel Supports:


The method used to support a vessel will depend on the size, shape, and weight of the vessel;
the design temperature and pressure and the vessel location and arrangement.
Types of supports:
Saddle support (for horizontal vessels)
Brackets support (for vertical vessels)
Skirt support (for vertical vessels, particularly where
the length is high and effect of wind is prominent)
For the desired reactor Bracket supports are used.

Bracket
Support
3. Specification Sheet

Equipment

Reactor

Type of reactor

Multi-tubular fixed bed reactor

Operating temperature

350 C

Operating pressure

2 bar

Volume of reactor

13.6 m3

Volume of catalyst

8.16 m3

Weight of catalyst

73000 Kg

Number of tubes

485

Shell height

10.248 m

Diameter of shell

2.15 m

Thickness of shell

9 mm

Head type

Torispherical head

Support type

Bracket support