T.R.

EGE UNIVERSITY
Chemical Engineering Department

CHEMICAL ENGINEERING DESIGN PROJECT

REPORT I

Submitted to:
Prof.Dr.Ferhan ATALAY
Res.Assist.
Nilay GİZLİ
Sezai ERDEM
Tuğba GÜRMEN
Prepared by;
05078901 Ürün ARDA
Date: 30.03.2009
05068091 M.Serkan ACARSER
05068076 Müge METİN
05078875 Sıla Ezgi GÜNGÖR
05068052 Ali KÜÇÜK
March 2009
Bornova-İZMİR
 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.

i
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 i
Introduction ii
1.0 Describing of Process 1
2.0 Results 2
3.0 Discussion 4
4.0 Nomenclature 7
5.0 Appendix 8
5.1 Flowchart 8
5.2 Mass Balance 9
5.2.1 Reactor 9
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 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
References 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
stream’s 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, i-
propyl-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%.
İ-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.

‐ 1 ‐ 
 
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) 0 -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

Constants in the liquid viscosity
658,25 273,84 1139,70 13,82
equation (A)
Constants in the liquid viscosity
283,16 131,63 323,44 5,39
equation (B)
Standard Enthalpy of Formation
-242,0 20,43 -272,60 0
at 298K(kJ/kmol)
Standard Gibbs Energy of
-228,77 62,76 -173,5 0
Formation at 298K (kJ/kmol)
Constant in The Ideal Gas Heat
32,243 3,710 32,427 27,143
Capacities Equation(A)
Constant in The Ideal Gas Heat
1,923x10-3 2,345x10-1 1,886x10-1 2,73x10-3
Capacities Equation(B)
Constant in The Ideal Gas Heat
1,055x10-5 -1,160x10-4 6,405x10-5 -1,380x10-5
Capacities Equation(C)
Constant in The Ideal Gas Heat
-3,596x10-8 2,204x10-8 -9,261x10-8 7,645x10-9
Capacities Equation(D)
Minimum Temperature For
11 -113 0 -259
Antoine Constant (°C)
Maximum Temperature For
168 -33 111 -248
Antoine Constant (°C)
 

-2-
 
Table 2: Calculated mol and mass values of substances

Acetone  i­propyl­alcohol  Water  Hydrogen 

  Basis:100kmol/h  multiplied scale factor  Basis:100kmol/h  multiplied scale factor  Basis:100kmol/h multiplied scale factor  Basis:100kmol/h  multiplied scale factor 

kmol/h  ton/year  kmol/h  kg/h  ton/year kmol/h  ton/year  kmol/h kg/h  ton/year kmol/h ton/year kmol/h kg/h  ton/year  kmol/h  ton/year  kmol/h kg/h  ton/year
 
1  ‐  ‐  ‐  ‐  ‐  90,937  47872,96  228,797 13749,785 120448,4 44,786 7067,741 112,682 2029,966 17782,44  ‐  ‐  ‐  ‐  ‐ 
2  ‐  ‐  ‐  ‐  ‐  100  52644,1  251,6  15120,154 132452,6 49,25  7772,211 123,913 2232,293 19554,88  ‐  ‐  ‐  ‐  ‐ 
3  ‐  ‐  ‐  ‐  ‐  100  52644,1  251,6  15120,154 132452,6 49,25  7772,211 123,913 2232,293 19554,88  ‐  ‐  ‐  ‐  ‐ 
4  ‐  ‐  ‐  ‐  ‐  100  52644,1  251,6  15120,154 132452,6 49,25  7772,211 123,913 2232,293 19554,88  ‐  ‐  ‐  ‐  ‐ 
5  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
6  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
7  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
8  24,148  12286,04  60,756  3528,708  30911,67 0,776  408,518  1,952  117,307  1027,832 3,731  588,794 9,387  169,107  1481,407  90  1584,68  226,44 455,144 3987,07
9  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  1027,832 607,772 95913,35 1529,15 27547,709 241318  ‐  ‐  ‐  ‐  ‐ 
11  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  604,041 95324,56 1519,77 27378,603 239836,6  ‐  ‐  ‐  ‐  ‐ 
12  0,024  12,211  0,06  3,485  30,722  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  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  2,282  137,139  1201,345 ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐ 
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  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  ‐  648,799 102387,9 1632,38 29407,290 257607,9  ‐  ‐  ‐  ‐  ‐ 
17  0,089  45,281  0,224  13,010  113,928 9,063  4771,134  22,803 1370,369 12004,17 4,464  704,47  11,231 202,326  1772,447  ‐  ‐  ‐  ‐  ‐ 

‐ 3 ‐ 
 
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 wasn’t chosen as the cooling material. From the temperature values it’s
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 it’s 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-propyl-
alcohol, 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 it’s assumed to have
the same concentration with the feed stream. But in reality a very little amount of acetone
exists in the stream. It’s calculated but neglected on the recycle stream calculations. The
bottom product is assumed to be pure water and it’s 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 = Molecular Weight [kg/kmol] 

n = mole[mol/h] 

y = mol or mass fraction of gas stream 

x = mol or mass fraction of liquid stream 

PT = Total Pressure [bar] 

Pi* = Vapour Pressure of Component [bar] 

Pv* = Vapour Pressure [bar] 

F = Feed Flow Rate [kmol/h] 

V = Flow Rate of Vapour [kmol/h] 

L = Flow Rate of Liquid [kmol/h] 

T = Temperature [°C] 

∆Hvap = Latent Heat of Vaporisation [kJ/kg] 

TC = Critical Temperature [°C] 

PC = Critical Pressure [bar] 

Tb = Normal Boiling Point [°C] 

Q = Heat [kJ] 

m = Mass Flow Rate [kg/h] 

-7-
 STACK GAS 12 OFF GAS
H2

WATER
FURNACE
11

SCRUBBER
14 ACETONE

NATURAL GAS

17

AIR 8

4 MOLTEN SALT 10

ACETONE COLUMN

IPA COLUMN
FLASH
6 7
REACTOR CONDERSER 13
2 3
FEED DRUM VAPORIZER

COOLER
HEATER
17
WASTE
9
WATER
15
16
5

RECYCLE IPA 17

-8-
5.0 APPENDIX
5.1 MASS BALANCES
Production Rate : 115000 ton/year

5.1.1 REACTOR
I-propylalcohol=100 kmol/h 4
R
H2O = 49.25 kmol/h E
A acetone
C
T
5 H2
O H2 O
R 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 2

90
yacetone5 = = 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

-9-
 5.1.2 FLASH UNIT

acetone
8 H2
H 2O
i-propyl-alcohol
acetone = 90 kmol/h
F
H2 = 90 kmol/h 7 L
A
H2O = 49.25 kmol/h S
H
i-propyl-alcohol = 10 kmol/h
acetone
H 2O
9 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 = 81°C)

™ For acetone
1161
*
log Pacetone = 7.02447 −
224 + 81
*
Pacetone = 1651.6 mmHg
1651.6
K acetone = = 1.467
((1.5 /1.013) *760)

™ For i-propyl-alcohol
1788.02
*
log PIPA = 8.37895 −
227.438 + 81
*
PIPA = 381.89 mmHg
381.89
K IPA = = 0.339
1125.092

™ For water
1668.21
log PH* O = 7.96681 −
2
228 + 81
PH* O = 369.89 mmHg
2

369.89
K H 2O = = 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 V = 29.85 kmol/h

V
0.2 = L = 119.4 kmol/h
F

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

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

ywater = 0.125 ⇒ nwater 8 = (0.125) ×(29.85) = 3.731kmol/h

- 11 -
ªAt stream 9;

L = 119.4 kmol/h

xacetone = 0.551 ⇒ nacetone 9 = (0.551) ×(119.4) = 65.789 kmol/h

xi-propyl-alcohol = 0.077 ⇒ ni-propyl-alcohol 9 = (0.077) ×(119.4) = 9.194 kmol/h

xwater = 0.381 ⇒ nwater 9 = (0.381) ×(119.4) = 45.491 kmol/h

5.1.3 SCRUBBER
12
OFF-GAS

H2=90 kmol/h
11 Acetone
H2 O

Acetone
H2 = 90 kmol/h H2 O
H2O = 3.731 kmol/h
8 10 i-propyl-alcohol = 0.776 kmol/h
Acetone = 24.148 kmol/h
i-propyl-alcohol = 0.776 kmol/h

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 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*10−4
yacetone8 = 24.148 /118.655 = 0.203

- 12 -
y acetone12 1 − A L
= ; A = 11
y acetone8 1 − A 6
mV8
⎛ 3598 ⎞ ⎛ 3598 ⎞
⎜10.92 − ⎟ ⎜10.92 − ⎟
⎝ T ⎠ ⎝ 354.15 ⎠
e e
m= ⇒ m= = 1.445
P 1.48
y acetone12 2.68*10−4 1− A
= = 1.320*10−3 =
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 2 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
acetone = 89.913 kmol/h C O
13 E L
i-propyl-alcohol = 9.97 kmol/h T U
O M
water = 653.263 kmol/h N N
E

acetone
15
i-propyl-alcohol
water

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

nı-propyl-alcohol 13 = ni-propyl-alcohol 9 + nı-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 + nı-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

89.913
∴ nacetone 15 = = 0.089 kmol/h
1000
nacetone 14 =89.913-0.089 = 89.824 kmol/h

Since acetone purity is 99%

0.01
nı-propyl-alcohol 14 = 89.824 × = 0.907 kmol/h
0.99
nı-propyl-alcohol 15 = nı-propyl-alcohol 13 - nı-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

acetone
17
i-propyl-alcohol
water

C
I O
acetone = 0.089 kmol/h 15 P L
i-propyl-alcohol = 9.063 kmol/h A U
M
water = 653.263 kmol/h N

16 water

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

nı-propyl-alcohol 17 = nı-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
0.33
nwater 17 = 9.063 × = 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 2 i-propyl-alcohol=100 kmol/h

DRUM
water=49.25 kmol/h

i-propyl-alcohol=9.063 kmol/h 17
water=4.464 kmol/h

Input = Output

nı-propyl-alcohol 2 = ni-propyl-alcohol 1 + nı-propyl-alcohol 17

nı-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

¾ 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.

58.08kg 1ton 8760h

amount = 89.824 kmol/h * × × = 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
1
mi-propyl-alcohol = 13749.785 kg/h
mwater = 2029.966 kg/h

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

T=111.5o C
mi-propyl-alcohol = 1370.369 kg/h 17
mwater = 202.326 kg/h

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 = 2,497×0,87+4,178×0,13
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
T=109.5 o C
mi-propyl-alcohol = 15120.154 kg/h 2 VAPORIZER 3 mi-propyl-alcohol = 15120.154 kg/h
mwater = 2232.293 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

0,38
⎡ T −T ⎤
∆H vap,H O = ∆H f ⎢ c ⎥
⎣ Tc − Tb ⎦
2

0.38
⎡ 508.3K − 382.5 K ⎤
∆H vap,H O = 39838 ⎢ = 41370.970kj / kmol = 2296.473 kJ / kg
2
⎣ 508.3 K − 394.399 K ⎥⎦

For IPA : TC = 647.3 K

Tb = 375 K

∆Hf = 40683 kJ/kmol

0,38
⎡ 647,3K − 382,5 K ⎤
∆H vap,IPA = 40683 ⎢ ⎥ = 40253,505kj / kmol = 669,82 kj / kg
⎣ 647,3 K − 375 K ⎦

- 18 -
Q = mi-propyl-alcohol×Cp i-propyl-alcohol×∆T+mwater×Cp,water ×∆T + mwater×∆Hvap,water+mIPA×∆Hvap,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

Molten Salt : We assume ∆T = 20

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 3 4 T=325 o C
mwater = 2232.293 kg/h mi-propyl-alcohol = 15120.154 kg/h
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 0 -216.685 226.44
H2 0 0 226.44

4
T=325 o C R
mi-propyl-alcohol = 15120.154 kg/h E
A
mwater = 2232.293 kg/h C T=350 o C
T mi-propyl-alcohol = 1512.015 kg/h
O mwater = 2232.293 kg/h
R macetone = 13151.635 kg/h
5
mH2 = 455.144 kg/h

325

∫ ( 32,427 +1,886×10 T + 6,405×10−5 T2 − 9,261×10−8 T3 )dT

−1
∆Hin , IPA = − 272,29 +
25

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

350

∫ ( 32,427 +1,886×10 T + 6,405×10−5 T2 − 9,261×10−8 T3 )dT

−1
∆Hout, IPA = −272,29 +
25

∆Hout, IPA = -249,691 kJ/kmol

350
∆Hout,acetone = − 216,685 + ∫ ( 71,96 + 20,1×10−2 T +12,78×10−5 T2 + 34,76×10−8 T3 ) dT
25

∆Hout,acetone= -182,745 kJ/kmol

- 20 -
 350

∫ ( 28.84×10 + 0.00765×10−5 T + 0.3288×10−8 T2 − 0.8698×10−12 T3 ) dT

−3
∆Hout,H =
2
25

∆Hout,H = 9.466 kj/kmol

2

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

∆Hr0= 55.605 kJ/kmol

226.44 kmol × 55.605 kJ kmol

∆H r = = 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 360°C – 410°C) = 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 T=94.7o C
mi-propyl-alcohol = 1512.015 kg/h 5 6
mi-propyl-alcohol = 1512.015 kg/h
mwater = 2232.293 kg/h mwater = 2232.293 kg/h
macetone = 13151.635 kg/h macetone = 13151.635 kg/h
COOLER
m H = 455.144 kg/h m H = 455.144 kg/h
2
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 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) T=81o C (Tbp)

mi-propyl-alcohol = 1512.015 kg/h mi-propyl-alcohol = 1512.015 kg/h
mwater = 2232.293 kg/h 6 CONDENSER 7 mwater = 2232.293 kg/h
macetone = 13151.635 kg/h macetone = 13151.635 kg/h
m H = 455.144 kg/h m H = 455.144 kg/h
2 2

B ; P* mm Hg
log P* = A −
C + Tdp

Assumption = PT = 1.5 bar = 1125 mmHg

0
y acetone × PT y water × PT y i − propyl − alcohol × 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
C=228 yi-propyl-alcohol= 0.07

For i-propyl-alcohol: A= 8.37895 by trial and error Tdp= 94.7 °C found

B=1788.02

C=227.438

- 23 -
P = x A PA* (Tbp) + x B PB* (Tbp) + ... Using;

yacetone = 0.6
m ×Cp ×∆T + m∆Hf = Qtot ywater= 0.33
yi-propyl-alcohol= 0.07

by trial and error Tbp = 81°C

For Acetone:

At 94.7 oC and 1.5 bar

Cp,Acetone = 1.297 kJ/kg.K

Qacetone = m×Cp ×∆T

Qacetone = 13151.635 kg × (1.297 kJ/ kg.K) ×[(81+273.15) –( 94.7+273.15)]
= -233.690*103 kJ

0,38
⎡ T −T ⎤
∆H vap = ∆H f ⎢ c ⎥
⎣ Tc − Tb ⎦

∆Hf,acetone = 29140 kJ/kmol

Tc = 508.1 K

Tb = 341.5 K

0,38
⎡ 508.1K − 354 K ⎤
∆H vap = 29140* ⎢ = 28289.029kJ / kmol = 487.07kJ / kg
⎣ 508.1 K − 341.5 K ⎥⎦

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
0,38
⎡ T −T ⎤
∆H vap = ∆H f ⎢ c ⎥
⎣ Tc − Tb ⎦

∆Hf,i-propyl-alcohol = 39858 kJ/kmol

Tc = 508.3 K

Tb = 366.6 K

0,38
⎡ 508,3K − 354 K ⎤
∆H vap = 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

0,38
⎡ T −T ⎤
∆H vap = ∆H f ⎢ c ⎥
⎣ Tc − Tb ⎦

∆Hf,water = 40683 kJ/kmol

Tc = 647.3 K

Tb = 385.186 K
0,38
⎡ 647,3K − 354 K ⎤
∆H vap = 40683* ⎢ = 42442.0561kJ / kmol = 2356.845 kJ / kg
⎣ 647.3 K − 385.186 K ⎥⎦

For Hydrogen :

At 94.7 oC and 1.5 bar

C p,H = 13.225 kJ/kg K

2

Q H2
= 455.144 kg (13, 225 kJ / kg.K ) * ( 354.15 − 367.85 ) = -82.464 *103 kJ

∑m C
i
i p,i ∆T = −410.677 *103 kJ ; ∑ m ∆H
i
i vap,i = 12.702*106 kJ

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

i 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 -
 5.2.7 SCRUBBER
12 T=70o C
macetone = 3.485 kg/h
mwater = 27378.603 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 8
m H = 455.144 kg/h
2

T=28.1o C
mi-propyl-alcohol = 117.307 kg/h
10 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
14
mi-propyl-alcohol = 137.139 kg/h
macetone = 13125.906 kg/h

T=45o C A C
C O
mi-propyl-alcohol = 1507.508 kg/h 13 E L
mwater = 29609.634 kg/h T U
O M
macetone = 13138.916 kg/h N N
E

T=105o C
15 mi-propyl-alcohol = 1370.369 kg/h
mwater = 29609.634 kg/h
macetone = 13.010 kg/h
0,38
⎡ T −T ⎤
∆H vap = ∆H f ⎢ c ⎥
⎣ Tc − Tb ⎦

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

B
For the boiling point calculation; ln P sat = A − will be used.
T

¾ CONDENSER:

For acetone:

Pc = 47 bar Tc = 508.1 K

P = 1.0133 bar T = 329.2 K ( normal boiling point )

B B
ln 1.0133 = A − ln 47 = A −
329.2 508.1

Then; A = 10.91 and B = 3587.3

At 1.1 bar pressure, boiling point is;

- 27 -
 3587.3
ln 1.1 = 10.91 − Tb = 331.706 K
Tb

For i-propyl-alcohol

Pc = 47.6 bar Tc = 508.3K

P = 1.0133 bar T = 355.35 K ( normal boiling point )

B B
ln 1.0133 = A − ln 47.6 = A −
355.35 508.3

Then; A = 12.807 and B = 4546.375

At 1.1 bar pressure, boiling point is;

4546.375
ln 1.1 = 12.807 − Tb = 357.653 K
Tb

Substituting the results to the first equation;

0,38
⎡ 508.1 − 375.3 ⎤
∆ H acetone = 29140 × ⎢
⎣ 508.1 − 331.706 ⎥⎦

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

0,38
⎡ 508.3 − 375.3 ⎤
∆H IPA = 39858 × ⎢
⎣ 508.3 − 357.653 ⎥⎦

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

For the mixture;

∆Hmixture = 450.417×0.99+632.618×0.01
∆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 )

B B
ln 1.0133 = A − ln 220.5 = A −
373.15 647.3

Then; A = 12.72 and B = 4743.39

At 1.1 bar pressure, boiling point is;

4743.39
ln 1.1 = 12.72 − Tb = 375.723 K
Tb

¾ REBOILER:

0,38
⎡ 508.1 − 378 ⎤
∆H vap,acetone = 29140 × ⎢
⎣ 508.1 − 331.706 ⎥⎦

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

For Water:
0,38
⎡ 647.3 − 378 ⎤
∆H vap,water = 40683 × ⎢
⎣ 647.1 − 375.723 ⎥⎦

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

0,38
⎡ 508.3 − 378 ⎤
∆H vap,i −propyl−alcohol = 39858 × ⎢
⎣ 508.3 − 357.653 ⎥⎦

∆H vap,i − propyl−alcohol = 37719.801kJ / kmol = 627.722kJ / kmol

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

∆ H vap,mixture = 446, 915 × 4, 364 × 10 −4 + 674, - × 0, 955 + 627, 722 × 0, 045 = 672, 945 kJ kg
- 29872
Balance; Q=mT∆Hvap,mixture=30993.013×672,945=20,86×106 kJ

5.2.9 IPA COLUMN

T=111.5o C
17
mi-propyl-alcohol = 1370.369 kg/h
mwater = 202.326 kg/h
macetone = 13.010 kg/h

C
T=105o C I O
mwater = 29609.634 kg/h 15 P L
A U
macetone = 13.010 kg/h M
mi-propyl-alcohol = 1370.369 kg/h N

16
mwater = 29407.290 kg/h

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 = 2236.081×0,13+632,618×0.87

= 841.068 kJ/kg

For the energy balance for the mixture;

Q = mT ×∆Hmixture = 1941.326 kg × 841.068 kJ/kg

- 30 -
 Q = 1.633*106 kJ

Reboiler:
0,38
⎡ 647,3 − 384,5 ⎤
∆H vap,WATER = 40683 × ⎢ ⎥
⎣ 647,1 − 375, 723 ⎦

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

Q=mT∆Hvap,water=2230,892 ×29407.290=65,604×106 kJ

- 31 -
REFERENCES

¾ Treybol, R.E, Mass-Transfer Operations, 3rd Edition, McGraw-Hill Book Company,

1980

¾ Coulson, J.M., Richardson,J.F, Chemical Engineering Volume6, Great Britain

Pergamon Press, 1977

¾ Yaws, C., Physical Properties, McGraw-Hill Book Company, USA, 1977

¾ Othmer-K, Encyclopaedia Of Chemical Technology Volume-1, John Willey and Sons,

1978

¾ 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

¾ Perry, R.H., Green, D., Perry’s Chemical Engineers’ Handbook, 5th Edition, McGraw-
Hill International Ed., 1984

¾ McCabe, W.L., Smith, J.C., Horriott, P., Units Operations of Chemical Engineering,
McGraw-Hill International Edition, USA, 1993

¾ Felder, R.M., Rousseau, R.W., Elementary Principles of Chemical Process, 2nd

Edition, John Willey and Sons Inc, USA, 1986

‐ 32 ‐