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T.R.

EGE UNIVERSITY
Chemical Engineering Department

CHEMICAL ENGINEERING DESIGN PROJECT


REPORT I

Submitted to:
Prof.Dr.Ferhan ATALAY

Prepared by;

Res.Assist.
Nilay GZL
Sezai ERDEM
Tuba GRMEN

05078901 rn ARDA
05068091 M.Serkan ACARSER
05068076 Mge METN
05078875 Sla Ezgi GNGR
05068052 Ali KK
March 2009
Bornova-ZMR

Date: 30.03.2009

SUMMARY
The process purpose is to produce acetone from isopropyl alcohol (IPA) at the
given conditions. This report is formed, some properties, manufacturing process of
acetone. In manufacturing process, feed drum, vaporizer, heater, reactor, furnace, cooler,
condenser, flash unit, scrubber, acetone and IPA columns are used.

INTRODUCTION

Acetone (dimethyl ketone, 2-propane, CH3COCH3 ), formulation weight 58,079, is


the simplest and the most important of the ketones. It is a colourless, mobile, flammable
liquid with a mildly pungent and somewhat aromatic odour. It is miscible in all proportions
with water and with organic solvents such as ether, methanol, ethyl alcohol, and esters.
Acetone is used as a solvent for cellulose acetate and nitrocellulose, as a carrier for acetylene
and as a raw material for the chemical synthesis of a wide range of products such as ketene,
methyl methacrylate, bisphenol A, diacetone alcohol mesityl oxide, methyl isobutyl ketone,
hexylene glycol ( 2-methyl-2, 4-pentanediol ), and isophorone.

Acetone is produced in various ways;

The Cumene Hydroperoxide Process for Phenol and Acetone

Isopropyl Alcohol Dehydrogenation

Direct Oxidation of Hydrocarbons to a Number of Oxygeanted Products

Including Acetone

Catalytic Oxidation of Isopropyl Alcohol

Acetone as a By-Product of the Propylene Oxide Process Used by Oxirane

The p-Cymene Hydroperoxide Process for p Cresol and Acetone

The Diisopropylbenzene Process for Hydroquinone (or Resorcinol ) and

Acetone

In this report isopropyl alcohol dehydrogenation was investigated.

ii

TABLE OF CONTENTS:
Summary

Introduction

ii

1.0 Describing of Process

2.0 Results

3.0 Discussion

4.0 Nomenclature

5.0 Appendix

5.1 Flowchart

5.2 Mass Balance

5.2.1 Reactor

5.2.2 Flash Unit

10

5.2.3 Scrubber

11

5.2.4 Acetone Column

14

5.2.5 IPA Column

15

5.2.6 Feed Drum

16

5.3 Energy Balances

References

17

5.3.1 Feed Drum

17

5.3.2 Vaporizer

18

5.3.3 Pre - Heater

19

5.3.4 Reactor

20

5.3.5 Cooler

22

5.3.6 Condenser

23

5.3.7 Scrubber

26

5.3.8 Acetone Column

27

5.3.9 IPA Column

30
32

1.0 DESCRIPTION OF THE PROCESS

At the beginning of the process, feed including i-propyl alcohol and water, and recycle

stream are mixed in feed drum. From here, this mixture is send to vaporizer to change
streams phase as vapour. After vaporizer, mixture is heated to reaction temperature in the
heater. Reactor used is a tubular flow reactor. Acetone, hydrogen gas (H2) are produced and
water and i-propyl-alcohol are discharged. The mixture with acetone, hydrogen, water, ipropyl-alcohol are sent to cooler and then to condenser. After condenser the mixture is sent to
flash unit. Hydrogen, acetone, i-propyl-alcohol and water are obtained as top product. This
top product is sent to scrubber to remove hydrogen. The bottom product of flash unit which is
formed by acetone, water, i-propyl-alcohol are mixed with the bottom product of scrubber
before acetone column. In acetone column, acetone is obtained from top product with 99 wt%.
-propyl alcohol and water and also 0,1% of acetone is sent to i-propyl-alcohol column from
bottom product. The top product of this column is sent to feed drum and bottom product is
thrown away as waste water.

2.0 RESULTS

Table1: Properties of Substances


Property

H2O

Acetone

IPA

H2

Molecular Weight(kg/kmol)

18,015

58,08

60,096

2,01

Freezing Point(C)

-95

-88,5

-259,2

Boling Point(C)

100

56,2

82,2

-252,8

Critical Temperature (C)

647,3

508,1

508,3

33,2

Critical Pressure (bar)

220,5

47

47,6

13

Critical Volume (m3/min)

0,056

0,209

0,220

0,065

Liquid Density(kg/m3)

998

790

786

71

Heat of Vaporization(J/mol)

40683

29140

39858

904

658,25

273,84

1139,70

13,82

283,16

131,63

323,44

5,39

-242,0

20,43

-272,60

-228,77

62,76

-173,5

32,243

3,710

32,427

27,143

1,923x10-3

2,345x10-1

1,886x10-1

2,73x10-3

1,055x10-5

-1,160x10-4

6,405x10-5

-1,380x10-5

-3,596x10-8

2,204x10-8

-9,261x10-8

7,645x10-9

11

-113

-259

168

-33

111

-248

Constants in the liquid viscosity


equation (A)
Constants in the liquid viscosity
equation (B)
Standard Enthalpy of Formation
at 298K(kJ/kmol)
Standard Gibbs Energy of
Formation at 298K (kJ/kmol)
Constant in The Ideal Gas Heat
Capacities Equation(A)
Constant in The Ideal Gas Heat
Capacities Equation(B)
Constant in The Ideal Gas Heat
Capacities Equation(C)
Constant in The Ideal Gas Heat
Capacities Equation(D)
Minimum Temperature For
Antoine Constant (C)
Maximum Temperature For
Antoine Constant (C)

-2-

Table 2: Calculated mol and mass values of substances

Acetone

Basis:100kmol/h

ipropylalcohol

multipliedscalefactor

kmol/h ton/year kmol/h

kg/h

Basis:100kmol/h

multipliedscalefactor

ton/year kmol/h ton/year kmol/h

100

52644,1

100

90

6
7

Water

kg/h

multipliedscalefactor

ton/year kmol/h ton/year kmol/h

kg/h

Basis:100kmol/h

multipliedscalefactor

ton/year kmol/h ton/year kmol/h

90,937 47872,96 228,797 13749,785 120448,4 44,786 7067,741 112,682 2029,966 17782,44

kg/h

ton/year

251,6 15120,154 132452,6 49,25 7772,211 123,913 2232,293 19554,88

52644,1

251,6 15120,154 132452,6 49,25 7772,211 123,913 2232,293 19554,88

100

52644,1

251,6 15120,154 132452,6 49,25 7772,211 123,913 2232,293 19554,88

45790,27 226,44 13151,635 115208,3

10

5264,41

25,16 1512,015 13245,26 49,25 7772,211 123,913 2232,293 19554,88

90

1584,68 226,44 455,144 3987,07

90

45790,27 226,44 13151,635 115208,3

10

5264,41

25,16 1512,015 13245,26 49,25 7772,211 123,913 2232,293 19554,88

90

1584,68 226,44 455,144 3987,07

90

45790,27 226,44 13151,635 115208,3

10

5264,41

25,16 1512,015 13245,26 49,25 7772,211 123,913 2232,293 19554,88

90

1584,68 226,44 455,144 3987,07

1,952

90

1584,68 226,44 455,144 3987,07

24,148 12286,04 60,756 3528,708 30911,67 0,776 408,518

65,789 33472,18 165,525 9613,692 84216,01 9,194 4840,098 23,132 1390,141 12177,69 45,491 7178,998 114,455 2061,907 18062,36

10 24,124 12273,83 60,696 3525,224 30880,95 0,776 408,518

1,952

117,307 1027,832 3,731 588,794

9,387

169,107 1481,407

117,307 1027,832 607,772 95913,35 1529,15 27547,709 241318

11

12

0,024

12,211

0,06

3,485

30,722

604,041 95324,56 1519,77 27378,603 239836,6

90

1584,68 226,44 455,144 3987,07

13 89,913 45746,01 226,221 13138,916 115097

9,97 5248,616 25,085 1507,508 13205,52 653,263 103092,4 1643,61 29609,634 259380,4

14 89,824 45700,73 225,997 13125,906 114983

0,907 477,482

15

0,089

45,281

0,224

13,010

113,928

9,063 4771,134 22,803 1370,369 12004,17 653,263 103092,4 1643,61 29609,634 259380,4

16

17

0,089

45,281

0,224

13,010

113,928

2,282

137,139 1201,345

648,799 102387,9 1632,38 29407,290 257607,9

9,063 4771,134 22,803 1370,369 12004,17 4,464

Basis:100kmol/h

Hydrogen

704,47 11,231

202,326 1772,447

3.0 DISCUSSION

Feed drum is a kind of tank used for the mixing of the recycle stream and feed stream.
Recycle stream concentration was assumed to be same with the feed stream. The temperature
of the feed stream is assumed to be 250 C at 2 bar pressure, which is assumed to be constant.
The temperature of recycle stream was calculated as 111,50 C. The temperature of the leaving
stream was calculated as 32,890 C, by the energy balance around feed drum.

In the vaporizer molten salt was used for heating. The temperature at the entrance of
the unit is the temperature of the mixture leaving the feed drum, which is 32,890 C. And the
leaving temperature is the bubble point temperature of the mixture, which is 109,50 C. The
pressure is 2 bars, and assumed to be constant.

Since the temperature leaving the vaporizer is not enough for the reaction a pre-heater
was used. The unit is working at 2 bars, and assumed to be constant. The entrance and leaving
temperatures are 109,50 C and 3250 C.

The reactor was the starting point for the calculations. The temperature values for the
entering and leaving streams were found from literature, which are 3250 C and 3500 C,
respectively. The reaction taken place inside is endothermic, for this reason the reactor has to
be heated. For heating, molten salt was used. The pressure is 1,8 bar, and assumed to be
constant.

The entrance temperature of the cooler is 3500 C and leaving is 94,70 C. For cooling,
water was used. Instead of water a refrigerant may be used. Better results may get. But since it
costs too much, it wasnt chosen as the cooling material. From the temperature values its
easily seen that the load is on the cooler not on the condenser, for this process. But in reality
the unit cannot cool that much, and the load is mostly on the condenser. In this process, the
mixture cooled down to its dew point. The pressure is 1,5 bar, and assumed to be constant.

-4-

The temperature of the entering stream is the dew point and the leaving temperature is
the bubble point of the mixture. In the condenser water was used as cooling material. In the
calculation of the dew and bubble points Antoine Equation was used. Trial and error was used
with the help of Excel. The mixture includes acetone, i-propyl-alcohol, water and hydrogen.
But hydrogen was not taken into consideration in the calculations. Since the condensation
temperature of hydrogen is very low, it is not condense in the condenser. It stays in the for
this reasons it has no affect on bubble and dew point calculations. Also since it does not affect
the temperature calculations its not taken into consideration on mole and mass fraction
calculations. The leaving and entering temperatures are 94,70 C and 810 C, respectively. The
pressure is 1,5 bar, and assumed to be constant.

Flash unit was assumed to be isothermal, for this reason temperature was not changed.
It is 810 C in the entrance and exit. The pressure is 1,5 bar, and assumed to be constant. By
trial and error method, (V / F) value was found to be 0,2. The entrance temperature of the unit
is the bubble point of the mixture, but if it was its dew point the (V/F) value would be much
higher.

Scrubber was assumed to be adiabatic. The temperature of water entering the unit was
assumed to be 250 C. The temperature of the off gas, including hydrogen and a very little
amount of acetone, was assumed to 700 C. But this assumption is too high, a lower
temperature should have been assumed, since a lot of water is used in the unit. It should have
been around 400 C - 500 C. The temperature of the leaving stream was found to be 28.10 C.
The pressure of the unit is 1,5 bar, and assumed to be constant.

The streams leaving the scrubber and flash unit are mixed together before entering the
acetone column. The temperature leaving the flash unit and scrubber are 810 C and 28.10 C,
respectively. The temperature of the mixture was found to be 450 C. This result was getting by
using energy balance around the mixing point.

-5-

The acetone column is used to separate the acetone from the mixture. The entrance
temperature is 450 C. The leaving temperatures for the top and bottom product are 102,3 and
105, respectively, which are the bubble and dew points. Top product of the unit includes
acetone i-propyl-alcohol and 99wt% of the product is acetone. This amount is assumed to be
the desired acetone production rate, which is 115000 ton/year. From the bottom i-propylalcohol, water and a very little amount of, 0,1 %, acetone is discharged. The pressure is 1,1
bar, and assumed to be constant.

In the distillation column, i-propyl-alcohol and water are separated. The entrance
temperature is 1050 C. The leaving temperatures of the top and bottom products are both
111,50 C. The top product is recycled to the feed drum. For this reason its assumed to have
the same concentration with the feed stream. But in reality a very little amount of acetone
exists in the stream. Its calculated but neglected on the recycle stream calculations. The
bottom product is assumed to be pure water and its thrown away. Since its temperature is
very high it cannot be recycled to the scrubber. But if a cooler is used, a recycle can be used.
The pressure is 1,1 bar, and assumed to be constant.

In the calculations one year is assumed to be 360 working day and 8600 hours. If it
was 300 working day and 7200 hours, the results may be higher.

Since approximated values are used in the calculations, some errors may occur. The
values were taken in three decimal digits. If four or more decimal digits were taken, more
accurate results would get. Also during the calculations of the specific heats, approximated
values used.

-6-

4.0 NOMENCLATURE

MW=MolecularWeight[kg/kmol]
n=mole[mol/h]
y=molormassfractionofgasstream
x=molormassfractionofliquidstream
PT=TotalPressure[bar]
Pi*=VapourPressureofComponent[bar]
Pv*=VapourPressure[bar]
F=FeedFlowRate[kmol/h]
V=FlowRateofVapour[kmol/h]
L=FlowRateofLiquid[kmol/h]
T=Temperature[C]
Hvap=LatentHeatofVaporisation[kJ/kg]
TC=CriticalTemperature[C]
PC=CriticalPressure[bar]
Tb=NormalBoilingPoint[C]
Q=Heat[kJ]
m=MassFlowRate[kg/h]

-7-

12

STACK GAS

OFF GAS
H2

WATER
FURNACE

11

SCRUBBER

NATURAL GAS

AIR

14

ACETONE

17

MOLTEN SALT

13

IPA COLUMN

CONDERSER

ACETONE COLUMN

FLASH

VAPORIZER

REACTOR

FEED DRUM

10

COOLER

HEATER
17

WASTE
WATER

15
16

RECYCLE IPA
-8-

17

5.0 APPENDIX
5.1 MASS BALANCES
Production Rate : 115000 ton/year

5.1.1 REACTOR

I-propylalcohol=100 kmol/h
H2O = 49.25 kmol/h

R
E
A
C
T
O
R

acetone
H2
H2 O
i-propyl-alcohol

conversion = 90 %

nacetone5 = 100*0.9 = 90 kmol / h


nH 5 = 100*0.9 = 90 kmol / h
2

nH O 5 = 49.25 kmol / h
2

ni propylalcohol 5 = 100*0.1 = 10 kmol / h


nTotal 5 = nacetone5 + nH 5 + nH O 5 + ni propylalcohol 5 = 239.25 kmol / h
2

90
= 0.376
239.25
90
yH 5 =
= 0.376
2
239.25
49.25
yH O 5 =
= 0.206
2
239.25
10
yi propylalcohol 5 =
= 0.042
239.25
yacetone5 =

-9-

5.1.2 FLASH UNIT

acetone
H2
H 2O
i-propyl-alcohol

acetone = 90 kmol/h
H2 = 90 kmol/h

F
L
A
S
H

H2O = 49.25 kmol/h


i-propyl-alcohol = 10 kmol/h

acetone
H 2O
i-propyl-alcohol

It is assumed that there is no change at temperature and pressure.


P* y
K i= i = i
PT
xi
At buble point (T = 81C)

For acetone
1161
224 + 81
= 1651.6 mmHg

*
= 7.02447
log Pacetone

*
Pacetone

K acetone =

1651.6
= 1.467
((1.5 /1.013) *760)

For i-propyl-alcohol
*
= 8.37895
log PIPA

1788.02
227.438 + 81

*
PIPA
= 381.89 mmHg

K IPA =

381.89
= 0.339
1125.092

For water
1668.21
228 + 81
= 369.89 mmHg

log PH* O = 7.96681


2

PH* O
2

K H 2O =

369.89
= 0.328
1125.092

- 10 -

From trial-error; (V/F) = 0.2


F = n acetone7 + n H O 7 + n IPA 7 = 149.25 kmol/h
2

F=V+L
0.2 =

V
F

V = 29.85 kmol/h
L = 119.4 kmol/h

yv = K xL
F zF = V yv + L xL

For acetone
yv = 1.467 xL
90 = 29.85 yv + 119.4 xL
xL = 0.551
yv = 0.809

For i-propyl-alcohol
yv = 0,339 xL
10 = 29.85 yv + 119.4 xL
xL = 0.077
yv = 0.026

For water
yv = 0.328 xL
49.25 = 29.85 yv + 119.4 xL
xL = 0.381
yv = 0.125

At stream 8;
V = 29.85 kmol/h
yacetone = 0.809

nacetone 8 = (0.809) (29.85) = 24.148 kmol/h

yi-propyl-alcohol = 0.026
ywater = 0.125

ni-propyl-alcohol 8 = (0.026) (29.85) = 0.766 kmol/h


nwater 8 = (0.125) (29.85) = 3.731kmol/h
- 11 -

At stream 9;
L = 119.4 kmol/h

xacetone = 0.551

xi-propyl-alcohol = 0.077

xwater = 0.381

nacetone 9 = (0.551) (119.4) = 65.789 kmol/h


ni-propyl-alcohol 9 = (0.077) (119.4) = 9.194 kmol/h
nwater 9 = (0.381) (119.4) = 45.491 kmol/h

12

5.1.3 SCRUBBER

OFF-GAS
H2=90 kmol/h
Acetone

11
H2 O

H2 = 90 kmol/h
H2O = 3.731 kmol/h
8
Acetone = 24.148 kmol/h
i-propyl-alcohol = 0.776 kmol/h

10

T = 810C (354.15 K); P = 1.5 bar (1.48 atm)


Assume 1/1000 of inlet acetone is in off-gas.

n acetone12 = 0.024148 kmol / h


n acetone10 = 24.148 0.024148 = 24.124 kmol / h
n Total8 = n acetone8 + n H 8 + n H O8 + n IPA8
2

n Total8 = 24.148 + 90 + 3.731 + 0.776 = 118.655 kmol / h


n Total12 = n acetone12 + n H 12
2

n Total12 = 0.024148 + 90 = 90.024 kmol / h


yacetone12 = 0.024148 / 90.024 = 2.68*104
yacetone8 = 24.148 /118.655 = 0.203
- 12 -

Acetone
H2 O
i-propyl-alcohol = 0.776 kmol/h

y acetone12 1 A
L
; A = 11
=
6
y acetone8 1 A
mV8
m=

3598

10.92

m=

3598

10.92

354.15

1.48

= 1.445

y acetone12 2.68*104
1 A
=
= 1.320*103 =
y acetone8
0.203
1 A6

From trial-error A is found as 3.523

L11 = mAV8 = 1.445*3.523*118.655


L11 = 604.041 kmol / h
n H O10 = n H O8 + n H O11
2

n H O10 = 3.731 + 604.041 = 607.772 kmol / h


2

n Total10 = n acetone10 + n H O10 + n IPA10


2

n Total10 = 24.124 + 607.772 + 0.776 = 632.672 kmol / h

- 13 -

5.1.4 ACETONE COLUMN

14

acetone
i-propyl-alcohol

A
C
E
T
O
N
E

acetone = 89.913 kmol/h


i-propyl-alcohol = 9.97 kmol/h

13

water = 653.263 kmol/h

C
O
L
U
M
N

acetone
15

i-propyl-alcohol
water

nacetone 13 = nacetone 9 + nacetone 10 = 65.789 + 24.124 = 89.913 kmol/h


n-propyl-alcohol 13 = ni-propyl-alcohol 9 + n-propyl-alcohol 10 = 9.194 + 0.776 =9.97 kmol/h
nwater 13 = nwater 9 + nwater 10 = 45.491 +607.772 = 653.263 kmol/h
nT 13 = nacetone 13+ nwater 13 + n-propyl-alcohol 13
nT 13 = 89.913 + 653.263 + 9.97 = 753.146 kmol/h

Assume that 1/1000 of acetone is in bottom product

nacetone 15 =

89.913
= 0.089 kmol/h
1000

nacetone 14 =89.913-0.089 = 89.824 kmol/h

Since acetone purity is 99%

n-propyl-alcohol 14 = 89.824

0.01
= 0.907 kmol/h
0.99

n-propyl-alcohol 15 = n-propyl-alcohol 13 - n-propyl-alcohol 14 = 9.97-0.907 =9.063 kmol/h


nwater 15 = nwater 13 = 653.263 kmol/h
- 14 -

5.1.5 IPA COLUMN

17

acetone = 0.089 kmol/h


i-propyl-alcohol = 9.063 kmol/h
water = 653.263 kmol/h

15

acetone
i-propyl-alcohol
water

C
I O
P L
A U
M
N

16

water

since all the i-propyl-alcohol is at the top product

n-propyl-alcohol 17 = n-propyl-alcohol 15 = 9.063 kmol/h


nacetone 17 = nacetone 15 = 0.089 kmol/h

Assume the composition of the recycle stream is as feed stream so that;


ywater=0.33 ; yIPA=0.67

nwater 17 = 9.063

0.33
= 4.464 kmol/h (neglecting acetone composition)
0.67

nwater 16 = nwater 15 - nwater 17 = 653.263 4.464 = 648.799 kmol/h

- 15 -

5.1.6 FEED DRUM

i-propyl-alcohol
water
1

FEED
DRUM

i-propyl-alcohol=9.063 kmol/h
water=4.464 kmol/h

i-propyl-alcohol=100 kmol/h
water=49.25 kmol/h

17

Input = Output
n-propyl-alcohol 2 = ni-propyl-alcohol 1 + n-propyl-alcohol 17
n-propyl-alcohol 1 = 100 9.063 = 90.937 kmol/h
nwater 2 = nwater 1 + nwater 17
nwater 1 = 49.25 4.464 = 44.786 kmol/h
since 115000 tons/year acetone is wanted to produce, all of these calculations should be

correlated as this amount. These new values are shown in Table 1.

amount = 89.824 kmol/h *

58.08kg 1ton
8760h

= 45700.726ton / year
1kmol 1000kg 1year

Scale Factor:
115000 ton year
= 2.516
45700.726 ton year

- 16 -

5.2 ENERGY BALANCES


5.2.1 FEED DRUM

T=25o C
mi-propyl-alcohol = 13749.785 kg/h
mwater = 2029.966 kg/h

1
2

FEED DRUM

T=111.5o C
mi-propyl-alcohol = 1370.369 kg/h
mwater = 202.326 kg/h

T=32.89o C
mi-propyl-alcohol = 15120.154 kg/h
mwater = 2232.293 kg/h

17

Tref = 25oC ; Cp,I-propyl-alcohol = 2,497 kJ/kg ; Cp,water = 4,178 kJ/kg.


For stream 1,2 and 17 calculate Cp,mix;
Cp,mix = 2,4970,87+4,1780,13
Cp,mix =2,715 kJ/kgK
mTotal,1=13749.785 + 2029.966 = 15779.75 kg/h
mTotal,2=15120.154 + 2232.293 = 17352.447 kg/h
mTotal,17=1370.369 + 202.326 = 1572.695 kg/h
QIN = QOUT
15779.75*2,715*(25-25) + 1572.695*2,715*(111,5-25) = 17352.447*2,715(T-25)
T = 32,830C

- 17 -

5.2.2 VAPORIZER
T=32.83 o C
mi-propyl-alcohol = 15120.154 kg/h
mwater = 2232.293 kg/h

VAPORIZER

T=109.5 o C
mi-propyl-alcohol = 15120.154 kg/h
mwater = 2232.293 kg/h

At 32.83 oC
Cp i-propyl-alcohol = 145 kJ/kmol.K = 2.413 kJ /kg.K
Cp water = 4.179 kJ /kg.K

For Water:

TC = 508.3 K
Tb = 394.399 K
Hf = 39838 kJ/kmol

H vap,H O
2

T T
= H f c

Tc Tb

0,38

508.3K 382.5 K
H vap,H O = 39838
2
508.3 K 394.399 K

For IPA :

0.38

= 41370.970kj / kmol = 2296.473 kJ / kg

TC = 647.3 K
Tb = 375 K
Hf = 40683 kJ/kmol

H vap,IPA

647,3K 382,5 K
= 40683

647,3 K 375 K

0,38

- 18 -

= 40253,505kj / kmol = 669,82 kj / kg

Q = mi-propyl-alcoholCp i-propyl-alcoholT+mwaterCp,water T + mwaterHvap,water+mIPAHvap,IPA

Q = 15120.154*2.413* (109.5 32.83) + 2232.293*4.179* (109.5 32.83)


+2232.293*2296.473 + 15120.154*669.82
Q = 9.652 106 kJ
We assume T = 20

Molten Salt :

Q = m Cp,molten salt T
9.652 106 kJ= 1,56 kJ /kg m (20)

m= 309.358 tons

5.2.3 PRE-HEATER
T=109.5 o C
mwater = 2232.293 kg/h
mi-propyl-alcohol = 15120.154 kg/h

T=325 o C
mi-propyl-alcohol = 15120.154 kg/h
mwater = 2232.293 kg/h

HEATER

Tref = 109,5 oC ; Cp i-propyl-alcohol = 2.468 kJ /kg.K ; Cp water = 2.019 kJ /kg.K


Q = mwater Cp,water T + mi-propyl-alcohol Cp -propyl-alcohol T
Q = (2232.293 2,468 (325-109.5)) + (15120.154 2,019 215,5)
Q = 1.845 106 kJ

Molten Salt :

We assume T = 150

Q = m Cp,molten salt T
1.845 106 kJ= 1,56 kJ /kg m (150)
m= 7.885 ton

- 19 -

5.2.4 REACTOR

(CH 3 )2 CHOH (CH 3 )2 CO + H 2


Table 3: mole and Hf values of acetone, i-propyl-alcohol and H2
nin kmol/h

Hf kJ/kmol

nout kmol/h

(CH3)2CHOH

251.6

-272.290

25.16

(CH3)2CO

-216.685

226.44

H2

226.44

4
T=325 o C
mi-propyl-alcohol = 15120.154 kg/h
mwater = 2232.293 kg/h

325

Hin ,

IPA = 272,29 +

R
E
A
C
T
O
R

( 32,427 +1,88610

T=350 o C
mi-propyl-alcohol = 1512.015 kg/h
mwater = 2232.293 kg/h
macetone = 13151.635 kg/h
mH2 = 455.144 kg/h

T + 6,405105 T2 9,261108 T3 )dT

25

Hin,IPA = -272,29 + 20,104 = -252,186 kJ/kmol


350

Hout, IPA = 272,29 +

( 32,427 +1,88610

T + 6,405105 T2 9,261108 T3 )dT

25

Hout, IPA = -249,691 kJ/kmol


350

Hout,acetone = 216,685 + ( 71,96 + 20,1102 T +12,78105 T2 + 34,76108 T3 ) dT


25

Hout,acetone= -182,745 kJ/kmol

- 20 -

350

Hout,H =
2

( 28.8410

+ 0.00765105 T + 0.3288108 T2 0.86981012 T3 ) dT

25

Hout,H = 9.466 kj/kmol


2

Hr0=(-216,685kJ/kmol) (-272,29 kJ/kmol)


Hr0= 55.605 kJ/kmol
H r =

226.44 kmol 55.605 kJ kmol


= 12591.196 kJ
1

Q = out n i H i in n i H i + H r

Q=[25.16 (-249.691)+ 226.44(-182.745)+226.44(9.466)]-[251.6(-252.186)] + 12591.196


Q=30521.67 kJ

Molten Salt :
Cp (molten salt between 360C 410C) = 1,56 kJ/kg
Q = m Cp,molten salt T
30521.67 kJ= 1,56 kJ /kg m (50)
m= 391.300 kg/h

- 21 -

5.2.5 COOLER
T=350 o C
mi-propyl-alcohol = 1512.015 kg/h
mwater = 2232.293 kg/h
macetone = 13151.635 kg/h
m H = 455.144 kg/h

5
COOLER

T=94.7o C
mi-propyl-alcohol = 1512.015 kg/h
mwater = 2232.293 kg/h
macetone = 13151.635 kg/h
m H = 455.144 kg/h
2

Tref=94.7 oC

Cp,H = 12.608 kJ / kg.K


2

Cp,water = 2.035 kJ / kg.K


Cp,IPA = 2.536 kJ / kg.K
Cp,acetone = 1.896 kJ / kg.K
Q = [(m H *C p,H ) + (m water *C p,water ) + (m IPA *C p,IPA ) + (m acetone *Cp,acetone )]* T
2

Q = [(455.144*12.608) + (2232.293*2.035) + (1512.015*2.536) + (13151.635*1.896)]* (94.7 350)

Q= - 10.123 106 kJ

Water :

T for the Water = (35-15)=20


Cpwater = 4.179 kJ/kg
Q = m Cp,water T
10.123 106 kJ= 4.179 kJ /kg m (20)
m= 121.117 ton/h

- 22 -

5.2.6 CONDENSER
T=94.7o C (Tdp)
mi-propyl-alcohol = 1512.015 kg/h
mwater = 2232.293 kg/h
macetone = 13151.635 kg/h
m H = 455.144 kg/h

CONDENSER

log P* = A

B
C + Tdp

T=81o C (Tbp)
mi-propyl-alcohol = 1512.015 kg/h
mwater = 2232.293 kg/h
macetone = 13151.635 kg/h
m H = 455.144 kg/h
2

; P* mm Hg

Assumption = PT = 1.5 bar = 1125 mmHg

y i propyl alcohol PT
y acetone PT
y water PT
y PT
+
+
+ H* 2
=1
*
*
*
Pacetone Tdp Pwater Tdp Pi propyl alcohol Tdp PH 2 Tdp

From literature;
For acetone:

A=7.02447
B=1161
C=224

For water:

A=7.96681

Using;

B = 1668.21

yacetone =0.6
ywater=0.33
yi-propyl-alcohol= 0.07

C=228

by trial and error Tdp= 94.7 C found

For i-propyl-alcohol: A= 8.37895

B=1788.02
C=227.438

- 23 -

P = x A PA* (Tbp) + x B PB* (Tbp) + ...

Using;

m Cp T + mHf = Qtot

yacetone = 0.6
ywater= 0.33
yi-propyl-alcohol= 0.07
by trial and error Tbp = 81C

For Acetone:

At 94.7 oC and 1.5 bar


Cp,Acetone = 1.297 kJ/kg.K
Qacetone = mCp T
Qacetone = 13151.635 kg (1.297 kJ/ kg.K) [(81+273.15) ( 94.7+273.15)]
= -233.690*103 kJ
H vap

T T
= H f c

Tc Tb

0,38

Hf,acetone = 29140 kJ/kmol


Tc = 508.1 K
Tb = 341.5 K
H vap

508.1K 354 K
= 29140*
508.1 K 341.5 K

0,38

= 28289.029kJ / kmol = 487.07kJ / kg

For IPA:

At 94.7 oC and 1.5 bar


Cp,i-propyl-alcohol = 1.761 kJ/kg.K
Q,i-propyl-alcohol = 1512.015 kg (1.761 kJ/ kg.K) (354.15-367.85) = -36.478*103 kJ
H vap

T T
= H f c

Tc Tb

0,38

Hf,i-propyl-alcohol = 39858 kJ/kmol


Tc = 508.3 K
Tb = 366.6 K
0,38

H vap

508,3K 354 K
= 39858*
= 41169,35kJ / kmol = 685,128kJ / kg
508,3 K 366,6 K
- 24 -

For Water :

At 94.7 oC and 1.5 bar


Cp,water = 1.898 kJ/kg K
Q water =2232.293 kg (1,898 kJ/ kg.K) (354.15-367.85) = -58.045*103 kJ
T T
H vap = H f c

Tc Tb

0,38

Hf,water = 40683 kJ/kmol


Tc = 647.3 K
Tb = 385.186 K
H vap

647,3K 354 K
= 40683*
647.3 K 385.186 K

0,38

= 42442.0561kJ / kmol = 2356.845 kJ / kg

For Hydrogen :

At 94.7 oC and 1.5 bar


C p,H = 13.225 kJ/kg K
2

= 455.144 kg (13, 225 kJ / kg.K ) * ( 354.15 367.85 ) = -82.464 *103 kJ

H2

m C
i

p,i

T = 410.677 *103 kJ ;

m H
i

vap,i

QTotal = mi C p,i T + mi H vap,i = 12.3*106 kJ


i

Water :

T for the Water = (35-15)=20


Cpwater = 4.182 kJ/kg
Q = m Cp,water T
682691.799 kJ= 4.182 kJ /kg m (20)
m= 147.058 ton/h

- 25 -

= 12.702*106 kJ

5.2.7 SCRUBBER

12
mwater = 27378.603 kg/h

T=70o C
macetone = 3.485 kg/h
m H = 455.144 kg/h
2

11

T=81o C
mi-propyl-alcohol = 117.307 kg/h
mwater = 169.107 kg/h
macetone = 3528.708 kg/h
m H = 455.144 kg/h

10

T=28.1o C
mi-propyl-alcohol = 117.307 kg/h
mwater = 27547.709 kg/h
macetone = 3525.224 kg/h

Qin = Qout
TRef = 25 oC ;

455.144x14.419 x (81-25)+ 3528.708x1.259x(81-25) + 169.107x4.193x(81-25) + 117.307x1.716x


(81-25)
= 455.144 x14,401x(70-25) + 3.485x1,229x(70-25) +3525.224x1,249x(T-25)
+27547.709x4,183x(T-25) + 117.307x1,710x(T-25)
42228,319 = 18777,661 + (T 25) x 7551,149

T = 28.1 oC

- 26 -

5.2.8 ACETONE COLUMN


T=102.3o C
mi-propyl-alcohol = 137.139 kg/h
macetone = 13125.906 kg/h

14

T=45o C
mi-propyl-alcohol = 1507.508 kg/h
mwater = 29609.634 kg/h
macetone = 13138.916 kg/h

A
C
E
T
O
N
E

13

C
O
L
U
M
N

T=105o C
mi-propyl-alcohol = 1370.369 kg/h
mwater = 29609.634 kg/h
macetone = 13.010 kg/h

15

H vap

T T
= H f c

Tc Tb

0,38

Before the application the formula boiling temperatures ( Tb ) for each of the
component must be find at 1,1 bar pressure.

For the boiling point calculation; ln P sat = A

B
T

will be used.

CONDENSER:
For acetone:
Pc = 47 bar

Tc = 508.1 K

P = 1.0133 bar

T = 329.2 K ( normal boiling point )

ln 1.0133 = A

B
329.2

ln 47 = A

B
508.1

Then; A = 10.91 and B = 3587.3


At 1.1 bar pressure, boiling point is;

- 27 -

ln 1.1 = 10.91

3587.3
Tb

Tb = 331.706 K

For i-propyl-alcohol
Pc = 47.6 bar

Tc = 508.3K

P = 1.0133 bar

T = 355.35 K ( normal boiling point )

ln 1.0133 = A

B
355.35

ln 47.6 = A

B
508.3

Then; A = 12.807 and B = 4546.375

At 1.1 bar pressure, boiling point is;


ln 1.1 = 12.807

4546.375
Tb

Tb = 357.653 K

Substituting the results to the first equation;

H acetone

508.1 375.3
= 29140
508.1 331.706

0,38

Hacetone = 26160,195 kJ/kmol ( 450,417 kJ/kg ) at 102,30C

508.3 375.3
H IPA = 39858
508.3 357.653

0,38

Hi-propyl-alcohol = 38014 kJ/kmol (632,618 kJ/kg ) at 102,3 0C

For the mixture;


Hmixture = 450.4170.99+632.6180.01
Hmixture =452.24 kJ/kg
mT =13263.045 kg

For the energy balance for the mixture;


Q = mT Hmixture =6 106 kJ

- 28 -

For water:
Pc = 220.5 bar

Tc = 647.3 K

P = 1.0133 bar

T = 373.15 K ( normal boiling point )

ln 1.0133 = A

B
373.15

ln 220.5 = A

B
647.3

Then; A = 12.72 and B = 4743.39

At 1.1 bar pressure, boiling point is;


ln 1.1 = 12.72

4743.39
Tb

Tb = 375.723 K

REBOILER:

508.1 378
H vap,acetone = 29140
508.1 331.706

0,38

H vap,acetone = 25956.795kJ / kmol = 446.915kJ / kg

For Water:
H vap,water

647.3 378
= 40683
647.1 375.723

0,38

H vap,water = 40553, 043kJ / kmol = 674,872kJ / kg

508.3 378
H vap,i propylalcohol = 39858
508.3 357.653

0,38

H vap,i propylalcohol = 37719.801kJ / kmol = 627.722kJ / kmol

yacetone = 4.364*10-4 ; ywater = 0.955 ; yIPA = 0.045


- 29872
- 0, 955 + 627, 722 0, 045 = 672, 945 kJ kg
H vap,mixture = 446, 915 4, 364 10 4 + 674,

Balance;

Q=mTHvap,mixture=30993.013672,945=20,86106 kJ

5.2.9 IPA COLUMN


17

T=105o C
15
mwater = 29609.634 kg/h
macetone = 13.010 kg/h
mi-propyl-alcohol = 1370.369 kg/h

C
I O
P L
A U
M
N

16

Same procedure is followed as in acetone column.


Tb,i-propyl-alcohol = 84.653 0 C
Tb,water = 102.723 0 C
Hf,water = 40683 kJ/kmol
Hf,i-propyl-alcohol = 39858 kJ/kmol
Hf,acetone = 29140 kJ/kmol
Hvap,water = 40294.194 kJ/kmol = 2236.081 kJ/kg
Hvap,i-propyl-alcohol = 38014 kJ/kmol = 632.618 kJ/kg
Hvap,acetone = 26160.195 kJ/kmol

Since acetone is neglected;


ywater=0.13 ; yIPA=0.87
Hvap,mixture = 2236.0810,13+632,6180.87
= 841.068 kJ/kg

For the energy balance for the mixture;


Q = mT Hmixture = 1941.326 kg 841.068 kJ/kg
- 30 -

T=111.5o C
mi-propyl-alcohol = 1370.369 kg/h
mwater = 202.326 kg/h
macetone = 13.010 kg/h

mwater = 29407.290 kg/h

Q = 1.633*106 kJ

Reboiler:

H vap,WATER

647,3 384,5
= 40683

647,1 375, 723

0,38

= 40179,523kJ / kmol = 2230,892 kJ / kg


Q=mTHvap,water=2230,892 29407.290=65,604106 kJ

- 31 -

REFERENCES

Treybol, R.E, Mass-Transfer Operations, 3rd Edition, McGraw-Hill Book Company,


1980

Coulson, J.M., Richardson,J.F, Chemical Engineering Volume6, Great Britain


Pergamon Press, 1977

Yaws, C., Physical Properties, McGraw-Hill Book Company, USA, 1977

Othmer-K, Encyclopaedia Of Chemical Technology Volume-1, John Willey and Sons,


1978

Foust, A.S., Wenzel, L.A., Clump, C.W., Meus, L., Anderson, L.B., Principles of Unit
Operations, John Willey and Sons Inc, USA, 1960

Perry, R.H., Green, D., Perrys Chemical Engineers Handbook, 5th Edition, McGrawHill International Ed., 1984

McCabe, W.L., Smith, J.C., Horriott, P., Units Operations of Chemical Engineering,
McGraw-Hill International Edition, USA, 1993

Felder, R.M., Rousseau, R.W., Elementary Principles of Chemical Process, 2nd


Edition, John Willey and Sons Inc, USA, 1986

32

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