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0 INTRODUCTION
Acetone (dimethyl ketone, 2-propane, CH3COCH3), formulation weight 58,079 is the simplest
and the most important and the simplest of the ketone groups. It is a colourless, mobile,
flammable liquid and highly aromatic odour. (1) It is also a key intermediate in the
manufacture of some polymers.
Moreover, acetone is used in several areas. About a third of the world's acetone is used as a
solvent, and a quarter is consumed as acetone cyanohydrin, a precursor to methyl
methacrylate. (4)
Solvent
Acetone is a good solvent for many plastics and some synthetic fibers. Acetone is used as a
solvent by the pharmaceutical industry and as a denaturant in denatured alcohol. Although
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itself flammable, acetone is used extensively as a solvent for the safe transportation and
storage of acetylene, which cannot be safely pressurized as a pure compound.
Chemical intermediate
Acetone is used to synthesize methyl methacrylate.
Laboratory
Acetone is used as a polar, aprotic solvent in a variety of organic reactions, such as SN2
reactions.
Medical and cosmetic uses
Acetone is commonly used in chemical peeling.
Acetone production from cumene and IPA are the most common manufacturing ways. In this
design project, Isopropyl Alcohol Dehydrogenation method is selected.
In this process, an aqueous solution of pure isopropyl alcohol is fed to the reactor, where the
stream is vaporized and reacted over a solid catalyst. The reactions occurring within the
reactor are as follows: (1)
(main reaction)
(side reaction)
(side reaction)
2
Isothermal operation will be carried out at 235C and the reaction occurs in the gase phase
with a pressure of 2.2 bar in a Packed Bed Reactor (PBR). Reaction is endothermic, and the
reactor is heated by molten salt. The catalyst used is ZnO/ZrO and the reaction is first order
with respect to the concentration of isopropanol in this project.
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Packed Bed Reactor is used for production of acetone. PBRs are tubular reactors filled with
catalyst particles. PBR design equation is following:
Where;
Entering molar flow of species A
Weight of catalyst
Conversion of key reactant, A
Rate of disappearance of species A per mass of catalyst
Sustainability
Sustainability in acetone is about delivering energy in a responsible way to meet the worlds
growing needs. Three basic cases are significant for acetone:
Acetone peroxide
When oxidized, acetone forms acetone peroxide as a byproduct, which is a highly unstable,
primary high explosive compound. (5)
Health information
Acetone is generally recognized to have low acute and chronic toxicity if ingested and/or
inhaled.
Toxicology
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Health Effect of Acetone
Acetone has been studied extensively and is generally accepted to have low acute and
chronic toxicity if ingested and/or inhaled. Acetone is not currently regarded as a carcinogen,
a mutagenic chemical or a concern for chronic neurotoxicity effects.
Absorption/Metabolism
Acetone is quickly absorbed by ingestion, inhalation, and dermal exposure. In two
experiments with humans, inhalation absorption was in the 70 to 80 percent range.
Short-Term (acute)
Mild nervous system effects such as eye and respiratory irritation, mood swings, and nausea
that abated soon after exposure ended were seen in humans breathing high concentrations
of acetone. Accidental poisonings report similar nervous system effects of sluggishness and
drowsiness that were not long lasting. (6)
The one study conducted to investigate potential carcinogenic effects from workers exposed
by inhalation to acetone did not find any excess cancer incidence.
Waste Disposal
In this project, water is thrown away.The temperature of water is very high, cooler can be
used to cooling water. In recent years, many legal restrictions have been placed on the
methods for disposing of waste materials from the process industries. The site selected for a
plant should have adequate capacity and facilities for correct waste disposal. Even though a
given area has minimal restrictions on pollution, it should not be assumed that this condition
will continue to exist. In choosing a plant site, the permissible tolerance levels for various
methods of waste disposal should be considered carefully, and attention should be given to
potential requirements for additional waste-treatment facilities. (3)
Ethics
The process has low toxicity to environment and human health. Occurred waste can be
recovered and removed.
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Figure 2. Flowchart of acetone process with PBR
In Figure 2., the reaction occurring in the reactor is in vapour phase. Therefore, the IPA
should be first vaporized and then passed from the reactor. The process is continuous. Since
the dehydrogenation of the IPA is the endothermic reaction, so heat has to be supplied to the
reactor. For heating purpose the molten salt can be used. (7)
The process starts with feed drum. Feed drum is a kind of tank used for the mixing of the
recycle stream and feed stream. In the vaporizer molten salt is used for heating. However,
the temperature leaving the vaporizer is not enough for the reaction to carry out. Therefore,
heater is used in this step to reach maintained temperature for reactor. In reactor works
isothermally so it needs heat. Then, leaving stream is gone out to cooler. In there,
temperature is decreasing 100C approximately. Acetone distillation column is reached by
following other equipments in the flowchart. The acetone column is used to separate the
acetone from the mixture. Top product of the unit includes acetone (99wt% of acetone which
is desired). The capacity of acetone production is 15000 tons/year.
In conclusion, Packed Bed Reactor is given in this project. The reactor works isothermally in
an endothermic reaction. Operating conditions of reactor is that 235C as temperature and
2.2 bar as pressure. In addition, although, cooler works isobarically, pressure is 1.5 bar in
here. In acetone distillation column, entrance of temperature is 45C. In approximate 100C,
acetone, that its purity is 99%, is obtained as top product. (8)
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2.0 RESULT
1
0.9
0.8
0.7
Conversion
0.6
0.5
0.4
0.3
0.2
0.1
0
0 1 2 3 4 5 6 7 8 9 10
Length,m
1
0.9
0.8
0.7
Conversion
0.6
0.5
0.4
0.3
0.2
0.1
0
0 1 2 3 4 5 6 7 8 9 10
Length,m
7
1
0.9
0.8
0.7
Conversion
0.6
0.5
0.4
0.3
0.2
0.1
0
0 1 2 3 4 5 6 7 8 9 10
Lenght,m
1
0.9
0.8
0.7
Conversion
0.6
0.5
0.4
0.3
0.2
0.1
0
0 0.5 1 1.5 2 2.5 3 3.5 4
Volume of Reactor,(m3)
8
1
0.9
0.8
0.7
Conversion
0.6
0.5
0.4
0.3
0.2
0.1
0
0 0.5 1 1.5 2 2.5 3 3.5 4
Reactor volume (m3)
1
0.9
0.8
0.7
Conversion
0.6
0.5
0.4
0.3
0.2
0.1
0
0 0.5 1 1.5 2 2.5 3 3.5 4
Reactor Volume (m3)
9
1
0.9
0.8
0.7
Conversion
0.6
0.5
0.4
0.3
0.2
0.1
0
2.20E+05 2.20E+05 2.20E+05 2.20E+05 2.20E+05 2.20E+05 2.20E+05
Pressure(Pa)
1
0.9
0.8
0.7
Conversion
0.6
0.5
0.4
0.3
0.2
0.1
0
2.20E+05 2.20E+05 2.20E+05 2.20E+05 2.20E+05
Pressure (Pa)
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3.0 DISCUSSION
In this project a reactor designed for production of acetone using catalytic dehydrogenation
of isopropyl alcohol. Isothermal operation will be carried out at 235C and the reaction occurs
in the gase phase with a initial pressure of 2.2 bar in a Packed Bed Reactor (PBR). Pure IPA
is fed to the reactor. Reaction is endothermic, and the reactor is heated by molten salt.
Acetone is produced by the gas phase reaction dehydrogenation of isopropyl alcohol in the
presence of ZnO/ZrO (6% - 12% ZrO) as catalyst. The reaction represents as:
Five tasks are completed for a given feed conditions. In Task 1, equilibrium conversion is
determined. In Task 2, the reactor volume of the single PBR is optimized. In Task 3, the
optimum volume of the reactor is determined by using the Ergun equation. In Task 4, carbon
foot print is calculated and evaluated. Finally, in Task 5, all results and comparisons are
discussed.
Firstly, the change in the Gibbs Free Energy is calculated at 25 C and then equilibrium
constant is found according to Gibbs Free Energy formula at 25 C. Later, equilibrium
constant (Kc) is evaluated by Vant Hoff Equations at 427 C. The reaction took place at 427
C because at standard temperature, the reaction can not be observed. Initial concentration
of isopropyl alcohol is found from ideal gas equation. Depending on this, concentrations of
acetone and hydrogen are written. Equilibrium conversion is taken according to
concentration and equilibrium constant calculations. The most important point in Task 1 is,
although the reaction is irreversible, this is considered as reversible. This system is accepted
reversible to find the equilibrium conversion.
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written with the Ergun equation, the length is reduced. However, the volume also decreases.
Accordingly, length in Task 3 is smaller than length in Task 2.
The most important use of acetone is in cosmetics sector, medicine, food, environment etc.
As a result of these techniques, acetone is very consumed chemical in the world and it is
seen that it increased by 4.8% in 2014. (7) A packed bed reactor is designed for acetone
production. As a results, when pressure drop and conversion are considered, length of
reactor is available realistically. In conclusion, this process is found to be feasible.
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4.0 NOMENCLATURE
Kc : rate constant
: density [kg/m3]
: porosity
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5.0 REFERENCES
1. https://tr.scribd.com/doc/30429522/Acetone-Production-Process-From-Iso-propyl-Alcohol-
IPA. https://tr.scribd.com. [Online]
3. http://www.academia.edu/24843591/Acetone_Reactor_Design_Complete_Project.
http://www.academia.edu. [Online]
7. Bra GdlL, Merve Karabacak, Bar Avc. ASETON RETM PROSES. Sivas : s.n.,
2015.
8. https://tr.scribd.com/document/87981824/Acetone-Production-Report. https://tr.scribd.com.
[Online]
9. http://wiredchemist.com/chemistry/data/entropies-organic. [Online]
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6.0 APPENDIX
Data Given:
Data Value
Aceton Capacity 15000 tons/year
T 235 C
P 2.2 bar
0.52
Dr 50 cm
c 2500 kg/m3
dp 10 mm
Table 6.Given Data in Project
Capacity of Acetone
(CH3)2CHOH(g) (CH3)2CO(g)+H2(g)
A B C
G=-R*T*lnk
G=Gproduct-=Greactant
(G)C=0 kJ/mol
(at 25C)
(9)
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G=20500 =-(8.314 )*(25+273 K)*(lnk)
T2=700 K T1=298 K
R=8.314 J/molK
(H)=55000 J/mol
CA0=
Kc=
87.74=
Xeq=0.9997952
Xop=0.8*Xeq=0.8*0.99839=0.7998362
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Packed Bed Reactor Design Equation:
W=FA0*
FA0* =-rA
-rA=k1*CA0*
[ ] =1.39
=0.52
Ac=pi*Dr2/4=pi*0.72/4=0.38 m2
k1=1.39
FA0=FB/x
CA0=0.039 kmol/m3
Vreactor=Ac,reactor*L=1.208 m3
Check
= ( )
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TASK 3: Repeat Task 2 in the absance of Pressure drop
(CH3)2CHOH(g) (CH3)2CO(g)+H2(g)
A B C
= ( )
Ac=pi*Dr2/4=pi*0.72/4=0.38 m2
at 700 K (11)
at 700 K (11)
dp=0.01 m
=0.52
Vreactor=Ac,reactor*L=1.159 m3
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TASK 4: Multitube Packed Bed Reactor
FAi
FA0
35 TUBES
T =620 K
FA0=FB/Xopt
FAi=(0.00996/0.79)/35=3.602*10-4 kmol/s
dt=2 inch=0.0508 m
Vtubes=Ac,tubes*L=0.146 m3
Vreactor=Ac,reactor*L=0.7828 m3
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TASK 1 and TASK 2
# ACETONE PRODUCTION FROM ISOPROPANOL DEHYDRATION
# TASK 1, TASK2
K1 = 0.000255 # at 25 C
T = 700 # K
KC = K1 * exp(55000 / 8.314 * (1 / 298 - 1 / T)) # equilibrium cnst at T #from van hoff equation
k1 = 351000 * exp(-72380 / (8.314 * T))
Ca0 = (2.2/1.013) / (0.082 / 1000 * T) / 1000 # kmol/m^3gas
conv = (KC/(KC + 0.95 * Ca0)) ^ (1 / 2) # equilibrium conversion
conV = 0.8 * conv # optimum conversion
FB = 0.00996 # aceton capacity (kmol/s)
FA0 = (FB/conV) # IPA flow
Fb = 0.5787 # aceton flow (kg/s)
Fac = Fb / conV
Ac = ((3.14) * (Dr) ^ 2) / 4 # m^2
Dr = 0.7 # m
d(X)/d(L) = (1 - fi) * Ac * (k1 / FA0) * (Ca0 * (1 - X) / (1 + X)) * (0.95)
fi = 0.52
G = Fac / Ac # kg/m^2*s
d(P)/d(L) = -(G / (rho * dp) * (1 - fi / fi ^ 3) * ((150 * (1 - fi) * nu) / dp) + 1.75 * G) # Ergun equation
rho = 2.271655 # kg/m^3
nu = 0.00001815 # Pa*s
dp = 0.01 # particle diameter (m)
P(0) = 220000 # Pa
P0 = 220000 # Pa
L(0) = 0
L(f) = 10
X(0) = 0
Pdrop = (P0 - P) / P0 # must be less than 0.05
Vr = 3.14 * (Dr ^ 2) / 4 * L # m^3 optimum volume
TASK 3
# MONDAY B2 GROUP 1
# ACETONE PRODUCTION FROM ISOPROPANOL DEHYDRATION
# TASK 3
K1 = 0.000255 # at 25 C
T = 700 # K
KC = K1 * exp(55000 / 8.314 * (1 / 298 - 1 / T)) # equilibrium cnst at T
k1 = 351000 * exp(-72380 / (8.314 * T))
Ca0 = (2.2/1.013) / (0.082 / 1000 * T) / 1000 # kmol/m^3gas
conv = (KC/(KC + (P / P0) * Ca0)) ^ (1 / 2) # equilibrium conversion
conV = 0.8 * conv # optimum conversion
FB = 0.00996 # aceton capacity (kmol/s)
FA0 = (FB/conV) # IPA flow
Fb = 0.5787 # aceton flow (kg/s)
Fac = Fb / conV
Ac = ((3.14) * (Dr) ^ 2) / 4 # m^2
Dr = 0.7 # m
G = Fac / Ac # kg/m^2*s
d(P)/d(L) = -(G / (rho * dp) * (1 - fi / fi ^ 3) * ((150 * (1 - fi) * nu) / dp) + 1.75 * G)
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d(X)/d(L) = (1 - fi) * Ac * (k1 / FA0) * (Ca0 * (1 - X) / (1 + X)) * (P / P0)
rho = 2.271655 # kg/m^3
nu = 0.00001815 # Pa*s
dp = 0.01 # particle diameter (m)
fi = 0.52
P(0) = 220000 # Pa
P0 = 220000 # Pa
L(0) = 0
L(f) = 10
X(0) = 0
Pdrop = (P0 - P) / P0 # must be less than 0.05
Vr = 3.14 * (Dr ^ 2) / 4 * L # m^3 optimum volume
TASK 4
# MONDAY B2 GROUP 1
# ACETONE PRODUCTION FROM ISOPROPANOL DEHYDRATION
# TASK4:MULTITUBE PACKED BED REACTOR
K1 = 0.000255 # at 25 C
T = 620 # K
KC = K1 * exp(55000 / 8.314 * (1 / 298 - 1 / T)) # equilibrium cnst at T,Van Hoff Equation
k1 = 351000 * exp(-72380 / (8.314 * T))
Ca0 = (2.2/1.013) / (0.082 / 1000 * T) / 1000 # kmol/m^3gas
conv = (KC/(KC + 0.95 * Ca0)) ^ (1 / 2) # equilibrium conversion
conV = 0.8 * conv # optimum conversion
FB = 0.00996 # aceton capacity (kmol/s)
FAi = (FB/conV) / n # IPA flow for each tube
n = 35 # tube number
Fb = 0.5787 # aceton flow (kg/s)
Ac = n * (3.14 * (dt ^ 2) / 4) # tube cross sectional area m^2
Acr = (3.14 * (Dr ^ 2) / 4) # reactor cross sectional area m^2
dt = 0.0508 # m
Dr = 0.7 # m
G = Fac / Ac # kg/m^2*s
Fac = Fb / conV
d(P)/d(L) = -(G / (rho * dp) * (1 - fi / fi ^ 3) * ((150 * (1 - fi) * nu) / dp) + 1.75 * G) # Ergun equation
d(X)/d(L) = (1 - fi) * Ac * (k1 / FAi) * (Ca0 * (1 - X) / (1 + X)) * (P / P0)
rho = 2.564772 # kg/m^3
nu = 0.000016204 # Pa*s
dp = 0.01 # particle diameter (m)
fi = 0.52
P(0) = 220000 # Pa
P0 = 220000 # Pa
L(0) = 0
L(f) = 10
X(0) = 0
Pdrop = (P0 - P) / P0 # must be less than 0.05
Vt = n * (3.14 * (dt ^ 2) / 4 * L) # tube volume
Vr = 3.14 * (Dr ^ 2) / 4 * L # reactor volume
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