1

1.0

INTRODUCTION

Acetonitrile is the chemical structure with the formula CH3CN. It is clear, colourless liquid
with a sweet, ethereal odour. Acetonitrile is also a hazardous chemical substance and regulated as
such throughout most of the world. Nevertheless, its hazards and properties are well understood.
When appropriate safety procedures are in place, and employees follow those procedures, no
excessive danger from the chemical exists. It is essential however, that employees and affected
individuals remain aware and informed. Types of the primary hazards regarding to acetonitrile like
reactivity, fire and toxicity. But today, in Malaysia acetonitrile is an important chemical which is
widely used in pharmaceutical, agrochemical, organic synthetic and petrochemical industries
(Thomas et al., 2007).
INEOS is the worlds largest producer and marketer of acetonitrile, a co-product of
acrylonitrile primarily used as a solvent in the production of pharmaceuticals, agricultural products
and fine chemicals. INEOS uses a proprietary technology to recover and purify acetonitrile to very
high purity standards. The one-step, fluid bed acrylonitrile manufacturing process was developed
by scientists of The Standard Oil Company (SOHIO), one of INEOSs predecessors in the U.S., in
the 1950s. Today, over 95 percent of the worlds acrylonitrile is manufactured using INEOSs
exclusive technology.

2
1.1

PROPERTIES OF ACETONITRILE

1.1.1 Physical Properties

Acetonitrile is a volatile, colourless liquid with a sweet, ether-like odour. It is infinitely soluble in
water and readily miscible with ethanol, ether, acetone, chloroform, carbon tetrachloride and
ethylene chloride. It is immiscible with many saturated hydrocarbons (petroleum fractions). The
others important physical properties of acetonitrile are summarized in Table 1.1.

Table

1.1:

Physical

properties

of

Acetonitrile

(INEOS,

n.d.

Retrieved

http://www.ineos.com/globalassets/ineos-group/businesses/ineos
nitriles/she/2007_acetonitrile_brochure.pdf)
Properties

Value

Unit

Molecular Weight

41.0524

Boiling Point

81.60

Melting Point

-45.7

Density

0.77674

g/cm3

Refractive Index

1.3442

Viscosity

0.352

cP

Triple Point

-48.3

Critical Temperature

272.4

Critical Pressure

48.2

Mpa

Surface Tension

29.29

Dync/cm

Heat of Vaporation

7.94

Kcal/mol

Heat of Fusion

1.95

Kcal/mol

Heat of Combustion

-300.3

Kcal/mol

Heat Capacity, Cp

21.52

Cal/mol. K

Heat Capacity, Cv

15.17

Cal/mol. K

from

3
1.1.2 Chemical Properties

Although acetonitrile is one of the most stable nitriles, it undergoes typical nitrile reactions and is
used to produce many types of nitrogen-containing compounds. It can be trimerized to Strimethyltriazine and has been telomerized with ethylene and copolymerized with alpha-epoxides.
Acetonitrile produces hydrogen cyanide when heated to decomposition or when reacted with acids
or oxidizing agents.

1.1.3 Uses of Acetonitrile

1. Acetonitrile is predominantly used as a solvent in the manufacture of pharmaceuticals, for

spinning fibers and for casting and molding of plastic materials, in lithium batteries, for the
extraction of fatty acids from animal and vegetable oils, and in chemical laboratories for
the detection of materials such as pesticide residues.

2. Acetonitrile is also used in dyeing textiles and in coating compositions as a stabilizer for
chlorinated solvents and in perfume production as a chemical intermediate.

4
1.2

MANUFACTURE

1.2.1 Method of Production

In the production of acetonitrile, they are several methods have been introduced. First method is
synthesis of acetonitrile from acetic acid and ammonia. Second, acetonitrile is produce direct from
ethanol and ammonia. Third method for production of acetonitrile is by SOHIO process. Sohio
process produce acetonitrile as the by-product while acrylonitrile as main product.

1.2.1.1 SOHIO Process

Sohio process is the most famous method used by industries in order to produce acetonitrile
by propylene. In this Sohio process, propene and oxygen (as air), and ammonia are catalytically
converted using a fluidized-bed reactor operated at temperatures of 400 500 C and gauge
pressures of 30 200 kPa (0.3 2 bar). The catalysts used in the process are mostly based on
mixed metaloxides such as bismuth-molybdenum oxide, iron-antimony oxide, uranium-antimony
oxide, tellurium -molybdenum oxide.

The reactor product is cooled by quenching with water and is neutralized using sulphuric
acid to remove unconverted ammonia. Acrylonitrile is removed by extractive distillation, while
crude acetonitrile and hydrogen cyanide are separated from the bottom products. Hydrogen
cyanide is then removed by distillation.

5
1.2.1.2 Background of SOHIO Process

It was founded by John D. Rockefeller, SOHIO was a petroleum company known for
efficient refining and skilled marketing. Before 1953, it had done no research on chemicals or
petrochemicals and the research was limited to the development of petroleum products and
processes. No one among the 80 researchers working at SOHIO laboratory located on Cornell
Road in Cleveland was thinking about a shortcut to world-class acrylonitrile production.
The picture changed when Franklin Veatch, a research supervisor reporting to SOHIOs
director of research by proposing that converting light refinery gases such as the aliphatic
hydrocarbon propane to oxygenates compound s containing oxygen; could be profitable. At that
time, oxidation of aliphatic hydrocarbons was primitive and expensive. Veatchs idea was to use
metal oxides to convert hydrocarbons to oxygenate. Funding was approved for this effort
beginning in 1953.

In addition of starting new research, SOHIO ventures into the petrochemical business by
building ammonia and nitrogen plants in Lima, Ohio and near Joplin, Missouri to use by-products
from its petroleum refinery. It was conservative move, but it encouraged SOHIO to view chemicals
as a commercial enterprise, a venture that would lead to remarkable success.
Early experiment in Veatchs research yielded no major development and he was given a
six-week deadline. Propylene was used over a modified vanadium pentoxide oxidant, and the
resultant odor was instantly recognizable as acrolein. After that, more and more were involved in
this development.

With the capacity to make acrolein, acrlic acid and acrylonitrile by efficient, revolutionary
new processes, Veatch pressed for a strong development and commercialization effort. The Patents
and Licensing Department went to work on securing an iro-clad patent position. At the end,
manufacturing both acrylic acid and acrylonitrile proved to be too ambitious, acrylonitrile
production became the priority of the company.

6
1.3

TYPE OF REACTOR

Chemical reactors are vessels designed to contain chemical reactions. It is the site of conversion
of raw materials into products and also called the heart of a chemical process. Reactors may
classify as Continuous Stirred Tank Reactor, Tubular Reactor, Packed Bed Reactor and Fluidized
Bed Reactor. For production of acetonitrile, Fluidized Bed Reactor is commonly used.

1.3.1 Fluidized Bed Reactor

Fluidized bed reactors are heterogeneous catalytic reactors in which the mass of catalyst is
fluidized. This allows for extensive mixing in all directions. A result of the mixing is excellent for
temperature stability and increased mass-transfer and reaction rates. Figure 1.1 shows the diagram
for fluidized bed reactor.

Figure 1.1: Diagram for fluidized bed reactor

7
A fluidized bed reactor is a combination of the two common, packed-bed and stirred tank
continuous flow reactors. (Dr. Sanju N. 2008). The essential feature of a fluidised bed reactor is
the solids held in suspension by the upward flow of the reacting fluid. The solids may be a catalyst,
a reactant in fluidized combustion process or an inert powder, added to promote heat transfer.
According to Dr. Sanju N. (2008) though the principle advantage of a fluidized bed over a fixed
bed is the higher heat transfer rate, fluidized beds are also useful where it is necessary to transport
large quantities of of solids as part of the reaction processes, such as where catalysts are transferred
to another vessel for regeneration. Also, fluidized bed reactors are capable of handling large
amounts of feed and catalyst using aggregative fluidization process as shown in Figure 1.2.

Figure 1.2: Aggregative fluidization process using fluidized bed reactor

8
Other than that, fluidized bed reactors are also an economical choice in large scale
production. This is due to the fact that they can operate nearly continuously due to the long catalyst
life which leads to savings in annual costs and shutdown costs. Table 1.2 describes the advantages
and disadvantages of operating a fluidized bed reactor.

Table 1.2: Advantages and disadvantages of fluidized bed reactor (Nicholas B. et al,., 2009)
Advantages

Disadvantages

Higher conversion per unit mass of

Undesired heat gradients

catalyst than other catalytic reactors

Poor temperature control

Low operating cost

Channeling can occur

Continuous operation

Difficult to clean

No moving parts to wear out

Difficult to replace catalyst

Catalyst stays in the reactor

Undesirable side reactions

Reaction mixture/catalyst separation is

easy

Design is simple

Effective
pressure

at

high

temperatures

and

9
2.0

PROCESS DESCRIPTION AND MATERIAL BALANCE

2.1

PROCESS FLOWCHART

Figure 2.1: Process Flowchart for production of Acetonitrile from SOHIO process.

Table 2.1: Details of Process Flowchart

COLUMN

NAME

Reactor (Fluidized Bed Reactor)

Neutralizer Column

Absorber Column

Acrylonitrile Column

Acetonitrile Distillation Column

10
2.2

PROCESS DESCRIPTION

Standard Oil of Ohio (SOHIO) process is a process for ammoxidation of propylene and
ammonia that will produce acrylonitrile, C3H3N as a major product. From this process, it also
produces the benefit waste products such as hydrogen cyanide, HCN, and acetonitrile, CH3CN.
Since acetonitrile is formed as a by-product during the production of acrylonitrile, therefore it is
directly related to the acetonitrile production.

In this SOHIO process, a mixture of propylene, ammonia and air in vapour phase are fed
to a fluidized bed reactor with present of catalyst. The propylene, ammonia and air combined and
operate at pressure of 1.98 bar and at temperature of 440 to form the product desired in this study
of acetonitrile which formed from the main reaction of producing acrylonitrile.

Several fluid-bed catalysts have been used since the inception of the SOHIO ammoxidation
process. Zinc Oxide, which represents the fourth major level of improvement, is currently
recommended in the process. Emissions of ACN during start-up are substantially higher than
during normal operation. During start-up, the reactor is heated to operating temperature before the
reactants (propylene and ammonia) are introduced. Effluent from the reactor during start-up begins
as oxygen-rich, then passes through the explosive range before reaching the fuel-rich zone that is
maintained during normal plant operation.

As the effluent leaving the reactor, the product must be quenched in water quench tower
where unreacted ammonia is neutralized with sulphuric acid, H2SO4 which resulting ammonium
sulphate that can be recovered for other uses such as fertilizer. Meanwhile, the quenched product
is passed to a counter-current absorber to remove inert gases containing primarily nitrogen, N2,
carbon monoxide, CO, carbon dioxide, CO2 and unreacted hydrocarbons is vented or passed
through an incinerator to combust the hydrocarbons and carbon monoxide and then vented. The
effluent from the absorber containing acrylonitrile, acetonitrile, HCN, and some water then
undergoes series distillations to obtain acetonitrile. In the first recovery column, acrylonitrile and
HCN are separated from acetonitrile and water. Water is then removed from the acetonitrile in the
acetonitrile column and recycled to the absorber.

11
2.3

MATERIAL BALANCE

This section covers the material balance for acetonitrile plant production. In production of
acetonitrile, the main reactions occur in fluidized bed reactor. A material balance, which is also
known as mass balance, is the application of mass conservation to physically analyse a system.
Material entering and leaving a system is taken into account to enable the mass flow to be
identified. Since matter cannot be created or destroyed, material balance is essential to determine
the input and output of a system.
Input + Generation Output + Accumulation

(eq. 2.1)

The equation above shows the mass balance of a reactive system in mathematical form.
This system is considered as a reactive system as it involves a reactor which allows the input to
mix and form a new product at the output (Cespi et al., 2014).
CH3COOH + NH3 CH3CONH2 + H2O CH3CN + 2H2O

(eq. 2.2)

CH3CHCH2 + 3/2 O2 + NH3 CH2CHCN + 3 H2O

(eq. 2.3)

Both the equations above show the reaction for the SOHIO process. The production for
both the processes are acetonitrile as a by-product, however the equations differ in terms of input
and the number of processes it undergoes.

In this report, equation 2.3 is chosen as the reference for the system. The equation shows
acrylonitrile as the product because it is the main product formed for this process. The process of
getting our desired product (acetonitrile) is included as a side reaction and is presented below.

12
Main Reaction:
C3H6 + NH3 + 3/2 O2 C3H3N + 3 H2O
(Propylene) + (Ammonia) + (Oxygen) (Acrylonitrile) + (Water)

(eq. 2.4)

Side Reactions:
C3H6 + NH3 + 9/4 O2 C2H3N + 1/2 CO2 + 1/2 CO + 3 H2O

(eq. 2.5)

(Acetonitrile)
C3H4O + NH3 + 1/2 O2 C3H3N + 2 H2O

(eq. 2.6)

(Acrylonitrile)
C2H3N + 3/2 O2 CO2 + HCN + H2O

(eq. 2.7)

(Carbon dioxide + Hydrogen Cyanide)

C3H6 + O2 C3H4O + H2O

(eq. 2.8)

(Acrolein)

Equation 2.4 until 2.7 shows the complete reaction of the main reaction and side reactions.
However, the total conversion for this reaction is 69 % of product at the outlet.

Basis:
Total Production = 100, 000 /
Molar feed ratio = Propylene Ammonia = 1 1.2 9.5

Propylene

Ammonia

Air

Acrylonitrile
FLUIDIZED BED
REACTOR Conversion =
69 %

Acetonitrile
Ammonia
2 4 HCN
Ammonia
Air 3 H20 2 4 HCN
Air 3 H20
O2
Hydrogen cyanide
O2
CO2
O2
CO2
CO2
Water
Ammonia 2 4 HCN
Air 3 H20
Oxygen
O2 3 H20
Air
CO2
O2
Carbon Dioxide
CO2
Ammonia 2 4 HCN
Air 3 H20
O2
CO2

13
Table 2.2 shows the material balance for the fluidized bed reactor. Fluidized bed reactor plays an
important role in production of acetonitrile where the reactions occur inside the reactor.

Table 2.2: Material Balance for the Reactor.

REACTOR DESIGN
Stream ID

Unit

Inlet

Outlet

Temperature

440.0

440.0

Pressure

bar

1.98

1.98

Vapor Fraction
Mole Flow Rate

mol/hr

4.0080

4.1231

Mass Flow Rate

g/h

114.854

114.8540

Volume Flow Rate

L/s

25.8765

29.2685

MMBtu/hr

26.0620

-0.0216

Ammonia

408

177.703

Oxygen

646

295.512

Enthalpy
Mole Flow Rate

mol/hr

695.933

Water
Propylene

340

104.662
230.296

Acrylonitrile
Acrolein

5.041

Carbon Dioxide

0.001

Carbon Monoxide

0.001

Acetonitrile

0.001

Nitrogen

2584

2584.000

TOTAL

3978.00

4093.15

14
3.0

DESIGN OF EQUIPMENT

3.1

INTRODUCTION

This section covers the mechanical design of the acetonitrile plant production. The purpose of this
section is to detail out the design information of major equipment used in the production of
acetonitrile which is by using Fluidized Bed Reactor. The summary of the design information of
the equipment are tabulated. All of the parameter of equipment sizing and mechanical design of
major equipment are also included in this section.

3.2

FLUIDIZED BED REACTOR

3.2.1 Length of Reactor

Alexandre C. D and Costin S. B. (2008) stated that the range of gas velocity, Uo is from 0.4 to 0.5
m/s. The optimal range of residence time, in the reactor is from 5 to 10 second. Assumption used
was listed below,

Gas velocity, Uo = 0.5 m/s

Void fraction in a fixed bed at minimum fluidization, =0.5

Void fraction in a fixed bed in the fluidized bed, =0.55

Void fraction in a fixed bed as a whole, =0.7

Length of fluidizing bed, lm = 8 m

Residence time, =

lm(1m)

Length of reactor, l =

uo

8 (10.5)

lm(1m)
1 f

0.5

=8s

8 (10.5)
10.7

= 13.33 m

The residence time, in the reactor was 8 second, which is in the range. The length of reactor, l
calculated was 13.33 m. According to Turton et al., (2013) the heuristic of process unit, the range
of diameter is 0.3 m to 4 m and the range for height is 2 m to 50 m.

15
3.2.2

Diameter of Reactor

Given below is the value ratio of diameter to length,

L/D

=4

=4D

13.33 = 4 D
D

= 3.33 m

The inner diameter of the fluidized bed reactor is 3.33 m which is in the range of optimal diameter
Richard T et al., (2013).

3.2.3 Volume of Reactor

Equation of volume of reactor is shown below,

V

= ( D2) / 4 L

where,
V

= Volume of the reactor

= Diameter of the reactor

= Length of the reactor

Given the value ratio of diameter-to-length,

L/D

=4

= 4D

Therefore, substitute the equation above into equation of volume reactor,

V

= ( D2) / 4 (4D)
= D3
= (3.33m)3
= 116 m3

16
3.3

MECHANICAL DESIGN OF FLUIDIZED BED REACTOR

3.3.1 Design Pressure

The design pressure that will be used is in 5 % to 10 % range above the maximum operating
pressure. For safety purpose, the design pressure 10 % above the maximum operating pressure was
used. The equipment report stated that the range for design pressure that was used for the reactor
is between 30-200 kPa (Daniele C., 2013)

Operating pressure

= 1.8 bar

Design pressure

= 1.8 bar 1.1 = 1.98 bar

3.3.2 Design Temperature

The design temperature of the equipment depends on the temperature of the material used in the
process. The design temperature is chosen 10% above the maximum operating temperature to
avoid spurious operation during minor process upsets and for safety reasons. The equipment report
stated that the range for design temperature that was used for fluidized bed reactor is between 400
C to 500 C. (Daniele C., 2013)

Operating temperature

= 400 C

Design temperature

= 1.1 400 C
= 440 C

3.3.3 Material Used

The material of construction of the fluidized bed reactor was chosen to be Stainless Steel 316
(SS316). The chemical composition of SS316 includes 16 % chromium, 12 % nickel and 2 %
molybdenum (Anderson, 2012). In addition, SS316 also a heat resistance material and it can
withstand high temperature condition especially during sterilization process.

17
3.3.4 Maximum Allowable Stress
Table 3.1: Mechanical properties of material used for reactors construction (Sinnott & Towler,
2009)

Design temperature

= 440 C 9/5 + 32
= 824 F

Based on Table 3.1:

Maximum allowable stress at 824 F = 11.5 ksi 1000 psi 1 bar
1 ksi

At 440 C, the maximum allowable stress is 793 bar

14.5 psi

= 793 bar

18
3.3.5 Welded-Joint Efficiency

The joint efficiency that is chosen was 1.0. The type of welds used for this joint efficiency is
double-welded butt joints. This joint efficiency is selected because the strength of the joint will be
as strong as the virgin plate and the risks can be reduce as any possible defects are cutting out and
reconstructed (Sinnott & Towler, 2009).

3.3.6 Corrosion Allowance

Corrosion allowance is defined as the additional thickness of metal added to allow for material lost
by corrosion, erosion or scaling (Sinnott & Towler, 2009). The estimation of corrosion allowances
cannot be specified for all conditions as corrosion itself is a complex phenomenon. Moreover,
corrosion allowances may also be neglected if there is past experience regarding the same design
of reactor that proves or shown no corrosion that occurred. For this Fluidized Bed reactor, there is
no corrosion allowance that will be used as Stainless Steel 316 has superior corrosion resistance.

3.3.7 Minimum Wall Thickness

The determination of minimum wall thickness is essential as it will clarify whether the reactor can
withstand its own weight and the weight of additional loads. For a cylindrical shell, the minimum
wall thickness that is required to withstand the internal pressure during the production of
acetonitrile can be calculated using the following equation:

tdesign =

Pi Di
2SE1.2Pi

19
where,
t

= thickness (mm)

Pi

= design pressure (bar)

Di

= diameter (mm)

= maximum allowable stress (bar)

= Joint Efficiency

Then, fill all the value into the equation,

tdesign =
tdesign =

Pi Di
2SE1.2Pi
(1.98 bar)(3.33 m)
2(793 bar)(1)1.2(1.98 bar)

= 0.04 m
= 4 mm

A much thicker wall is needed at the base of the vessel to enable the vessel to tolerate wind and
dead-weight loads. As a trial, the column is divided into five equal sections and the wall thickness
is increased by 4 mm as the section further downwards as shown in Figure 3.1.

Figure 3.1: Cross sectional view of design vessel

20
tavg

= (4+8+12+16+20) mm
5
= 12 mm

According to Sinnott & Towler, (2009), there will be a minimum wall thickness required to ensure
that any vessel is sufficiently rigid to withstand its own weight and any incidental loads. As a
general guide, the wall thickness of any vessel should not be less than the following value in Table
3.2.

Table 3.2: Minimum thickness of vessel according to vessel diameter (Sinnott & Towler, 2009)
Vessel diameter (m)

Minimum thickness (mm)

1 to 2

2 to 2.5

2.5 to 3.0

10

3.0 to 3.5

12

From Figure 3.1, it is shown to tolerate wind and dead-weight loads, the suitable thickness for
vessel diameter is at t = 12 mm which is suitable with the 3.3 m of diameter of vessel as shown in
table 3.2.

21
3.4

HEADS AND CLOSURES

The ends of cylindrical vessels are closed by heads as shown in Table 3.3 below. According to
Sinnott & Towler (2009), there are four principals types of heads used in industry. There are:

Table 3.3: Comparison of head types (Sinnott & Towler, 2009)

Flat plates and

Hemispherical heads

Ellipsoidal heads

Torispherical heads

formed flat heads

Diagram

Uses

Covers for many

ways and the
Head closure for high pressure vessels

channel covers of
heat exchangers
Shape

Strength

Flange-only

Domed head,

Domed head,

Domed head,

heads

Optimum thickness

Major and minor

Knuckle to crown radius

ratio = 7/17

axis ratio = 2:1

ratio > 0.06

Require thick

The strongest shape

Capable of

Capable of resisting

plates for high

and capable of

withstand the

pressure up to 15 bar

pressures or large

withstand twice the

pressure above 15

diameter reactor

pressure of a

bar

torispherical head of
the same thickness
Price

Cheapest

Expensive

Cheaper than

Cheap yet the price will

hemispherical

increased as the increase

heads

of operating pressure

Minimum
thickness

CPi
t = De
SE

t=

PiDi
4SE 0.4Pi

t=

PiDi
2SE 0.2Pi

t=

0.885PiRc
SE 0.1Pi

22
The minimum thickness for all of the head types was calculated as follows:

Flat plates,
t = De

CPi
SE

where,
C

= 0.17

De

= 3.33 m

Pi

= 1.98 bar

= 793 bar

=1

Then, fill all the value into the equation,

(0.17)(1.98 bar)
t = (3.33 m)
(793 bar)(1)
t = 0.069 m

Hemispherical heads,
t=

PiDi
4SE 0.4Pi

where,
Pi

= 1.98 bar

Di

= 3.33 m

= 793 bar

=1

Then, fill all the value into the equation,

t=

(1.98 bar)(3.33 m)
4 (793 bar)(1) 0.4(1.98 bar)

t = 0.0021 m

23
Ellipsoidal heads,
t=

PiDi
2SE 0.2Pi

where,
Pi

= 1.98 bar

Di

= 3.33 m

= 793 bar

=1

Then, fill all the value into the equation,

t=

(1.98 bar)(3.33 m)
2(793 bar)(1) 0.2(1.98 bar)

t = 0.0042 m ~ 4 mm

Torispherical heads,
t=

0.885PiRc
SE 0.1Pi

where,
Pi

= 1.98 bar

Rc

= 0.06

= 793 bar

=1

Then, fill all the value into the equation,

t=

0.885(1.98 bar)(0.06)
(793 bar)(1) 0.1(1.98 bar)

t = 0.00013 m

Based on the calculations for the minimum thickness for all of the head types, the standard
ellipsoidal heads was chosen to be used as the head of the fluidized bed reactor as it thickness is
the most closest to the minimum wall thickness of the reactor. Other than that, ellipsoidal heads
also the most commonly used closure and it is cheaper than hemispherical heads.

24
3.5

DESIGN OF VESSELS SUBJECT TO COMBINED LOADING

According to Sinnott & Towler (2009), there are five major sources of loads which are:
1. Pressure
2. Dead weight of vessel and contents
3. Wind
4. Earthquake
5. External loads due to piping and attached equipment

However, this process will neglect one source of loads that is earthquake. Earthquake loads can be
neglected as there is no earthquake occurs in Malaysia.

3.5.1 Dead weight of vessel

3.5.1.1 Vessel Weight

According to Sinnott & Towler (2009), the approximate weight of cylindrical vessel with domed
heads for steel vessel can be calculated by using equation as stated below,

Wv

= 240 CvDm(Hv + 0.8Dm)t

where,
Wv

= Total weight of shell, excluding internal fittings

Cv

= A factor to account for the weight of nozzles, manways, internal support

which can be taken as,
= 1.08 for vessels with few internal fittings
= 1.15 for distillation columns, or similar vessels.

Dm

= Mean diameter of the vessel

= (Di + (t X 10-3)(m)

Hv

= Length of cylindrical section (m)

= Wall thickness (mm)

25
thus,
Dm

= Di + (t X 10-3)
= 3.33 m + (12 X 10-3)m
= 3.342 m

Wv

= 240 Cv Dm (Hv + 0.8Dm) t

= 240 (1.15) (3.342m) [13.33m + 0.8(3.342m)] (12X10-3m)
= 177.14 kN

3.5.1.2 Catalyst

For this process, Zinc Oxide was used as the catalyst.

Chemical Formula

= ZnO

Molar Mass

= 81.38 g/mol

Particle Density

= 5.606 g/cm3 or 5,606 kg/m3

Bulk Density

= 0.88 g/cm3 or 880 kg/m3

Melting Point 1

= 975 C (2,248 K)

Boiling Point 1

= 975 C (2,248 K)

Solubility in Water
Insoluble Band Gap 3.3 eV
Refractive Index

= 2.0041

(From http://en.wikipedia.org/wiki/Zinc_oxide and http://www.hapman.com/resources/bulkmaterial-density-guide)

26
Volume of Catalyst,
Value of porosity is needed to calculate volume of catalyst. To find the value of porosity of the
catalyst, the equation 1.20 (Martin Rhodes, 2008) was used:

=1

5606 3

880

Volume of catalyst can be determined by using the formula below:

= (1 )
= 116 (1 0.843)
= 18.2123
Catalyst Weight,
=
= 880

x 9.81 2 18.212 3

= 157.22
Total Dead Weight,
= +
= 177.14 + 157.22
= 334.36

27
3.5.2 Wind load
Take dynamic wind pressure as 1280 N/2 , corresponding to 160km/h.

Mean diameter of vessel

= 3.33 m + 2(0.012m)
= 3.354 m

Loading per linear meters, Fw = 1280 N/m2 x 3.354 m

= 4293.12 N/m

Bending moment at the bottom of the vessel,

Mx

= Fw Hv2/2
= [4293.12 N/m x (13.33m)2]/2
= 381.42kN.m

3.5.3 Eccentric Loads (tall vessel)

From equation,

= +
where,
=

=177.14 103 13.33

2

= 1.18 106 .

28
3.5.4 Analysis of stress

Longitudinal Stress
From equation,
L

PDi
4t

(0.198 N / mm 2 )(3330 mm)

4(12mm)

= 13.4 N/mm2

Dead Weight Stress

From equation,

w =

WT
( Di t )t

334.36 10 3 N
(3330 mm 12mm)12mm

= 2.65 N/mm2
w is a compressive stress and has a negative magnitude.

Bending Stress
From equation,
Do

= Di + 2t 3330 mm + 2(12mm)
= 3354mm

= /64 (Do4-Di4)
= /64 [33544-33304] mm4
= 1.76x1011mm4

M
I

1.56 x10^9 Nmm 3330 mm

Di

t
12mm 14.87 N / mm 2

11
4
2
1.76 10 mm

29
Resultant Longitudinal Stress
From equation,

Upwind stress,
L w b (13.74 2.65 14.87 ) N / mm 2
25.96 N / mm 2

Downwind stress,
L w b (13.74 2.65 14.87 ) N / mm 2
3.78 N / mm 2

30
Criteria 1
The maximum allowable design stress for SS316 at 440C is 79.3N/mm2. Both upwind and
downwind stresses are below the maximum allowable stress for SS316 material. Therefore, it is
safe to specify the wall thickness to be 12 mm for the bottom-most part of the vessel.

Criteria 2
Critical bending stress, cbs
t
Do

cbs 2 10 4

12 mm
2
2 10 4
71.56 N / mm
3354
mm

Maximum compressive stress

w b (2.65 14.87) N / mm2 17.52 N / mm2

Therefore, maximum compressive stress is less than the critical bending stress. The column will
not buckle dead loads.

31
3.6

VESSEL SUPPORT

According to Sinnott & Towler (2009), the notable criteria that must be observe in order
to choose the method to support the vessel are size, shape and weight of the vessel; the design
temperature and pressure; the location and arrangement of the vessel and internal and external
fittings and the accessories of the vessel. Normally, saddle support is used for horizontal vessel
while skirt support is suitable to be used for vertical vessel.

The design of the thickness of the skirt must be sufficient to ensure that the skirt is able to
withstand the dead-weight loads and bending moment with the exclusion of vessel pressure that
subjected to the vessel. For the design of fluidized bed reactor in this process, the material of
construction of the skirt material is plain carbon steel using straight skirt support for the vessel as
skirt support are recommended for vertical vessel.

3.6.1 Properties of Skirt Support

For its diameter of 3.33 m and the total dead weight is 334.36 kN, the summary of the straight skirt
support design can be shown in the Figure 3.2 and Table 3.4.

Figure 3.2: Dimension for standard steel saddles (Sinnott & Towler, 2009)

32
Table 3.4: Standard steel saddles (Sinnott & Towler, 2009)

Type

= Straight skirt support (s = 90)

Material of construction

= Plain carbon steel

Conditions

= Ambient temperature and pressure

Maximum Allowable Design Stress (plain carbon steel)

= 89 N/mm2

Modulus of elasticity, E

= 200,000 N/mm2

Skirt support diameter, Ds

= Di = 3.33 m

Skirt support height

= 1.98 m

Weight of vessel, Wv

= 177.14 kN

Total Weight, WT

= 334.36 kN

Wind loading

= 4.29 kN/m

33
3.6.1.1 Density of Vapor of Reactant Entering The Reactor

Table 3.5: Molecular weight of components

=
=

Components

Molecular weight, g/mol

Propylene

42.080

Ammonia

17.031

Oxygen

29.000

3978 273
198

22.4
713
100

= 134.63 kg/m3

where,

= vapor density, kg/m3

Subscript STP = value at standard temperature and pressure

Subscript OP = operating condition
VSTP

= volume, m3

= temperature, K

= pressure, kPa

34
3.6.1.2 The Maximum Dead Weight of Vessel When Full of Vapor of Reactant

(3.33) 2 13.33 134.63 9.81 153.33kN

4

Weight of vapor =

Wtotal , Total weight = (334.36+ 153.33) kN = 487.69 kN

3.6.1.3 Bending Moment At The Base of The Skirt

1
2

(4.29 kN/m)(13.33 + 1.98)2 m2 = 502.78 kNm

3.6.1.4 Bending Stress In The Skirt

As a first trial, take the skirt thickness as the same as that of the bottom section of the vessel,
20mm.

bs

4M s
( Ds t sR )t sR Ds

4(502.78 10 3 x10 3 )
(3330 20)(3330 )(20)

= 2.869 N/mm2

3.6.1.5 Dead Weight Stress In Skirt

ws (test )

Wtotal
( Ds t sR )t SR

487.69 10 3
(3330 20)20

= 2.32 N/mm

35

ws (operating )

WT
( Ds t sR )t SR

334.36 10 3
3330 20 20

= 1.59 N/mm
Maximum s(compression)

= bs + ws(test)
= 2.869 N/mm2 + 2.32 N/mm2
= 5.189 N/mm2

Maximum s(tensile)

= bs -ws(operating)
= 2.689 N/mm2 1.59 N/mm2
= 1.099 N/mm2

Take the joint efficiency E as 0.85.

Criteria for design:

(tensile) < Ss E sin
1.099 < 89 0.85 sin 90o
1.099 < 75.65

(compressive) < 0.125 EY ( )sin

20

5.189 < 0.125 200,000 (3330)sin 90o

5.189 < 150.15

It is observed that both criteria are met. The design thickness of the skirt support is 20 mm.

36
3.7

SUMMARY OF THE DESIGN

Table 3.6: The summary for the Mechanical design of reactor

MECHANICAL DESIGN SPECIFICATION FLUIDIZED BED REACTOR
Equipment : Fluidized bed reactor
DESIGNN PROPERTIES
Design pressure
1.98 bar
Design temperature
4400C
Material construction
Stainless steel 316
VESSEL AND DOME HEAD
Dome head
Ellipsoidal head
Wall thickness
12 mm
Diameter
3.33 m
WEIGHT LOADS
Weight vessel
177.14 kN
Weight of catalyst
157.22 kN
Total weight loads
334.36 kN
WIND LOAD AND ANALYSIS STRESS
Dynamic wind pressure
1280 N/m2
Longitudinal stress
13.74 N/mm2
Circumferential stress
27.47 N/mm2
Dead weight stress
2.65 N/mm2
Bending stress
14.87 N/mm2
Resultant longitudinal stress:
Upwind
+25.96 N/mm2
Downwind
-3.78 N/mm2
VESSEL SUPPORT
Bending stress for skirt
2.869 N/mm2
Dead weight for stress:
Test
2.32 N/mm
Operating
1.59 N/mm
Height skirt
1.98 m
1.099 N/mm2
Maximum s (tensile)
5.189 N/mm2
Maximum s (compressive)

37
4.0

DESIGN OF EQUIPMENT USING AUTOCAD SOFTWARE

3.33 m

Figure 4.1: Design of fluidized bed reactor

38

Figure 4.2: Top view of fluidized bed reactor

Figure 4.3: Front view of fluidized bed reactor

39

Figure 4.4: Side view of fluidized bed reactor

40
5.0

CONCLUSION

Acetonitrile are widely used in industry. It could be applied in many different fields such
as pharmaceutical, agrochemical, organic synthetic and petrochemical industries. For this process,
fluidized bed reactor is used in the production of acetonitrile. This is due to the fact that this reactor
can operate nearly continuously, suitable with the long catalyst life which leads to saving annual
and shutdown costs. Length, diameter and volume of the reactor were calculated. Also, for this
reactor, zinc oxide is used as the catalyst. In this production, Sohio process is choose to be the
process for production of acetonitrile because it is the most famous method used by industries in
order to produce acetonitrile. Other than that, the calculations on the mechanical design are done
to ensure that the equipment used know the maximum pressure and temperature used, material
used, maximum allowable stress, welded-joint efficiency, corrosion allowance and minimum wall
thickness. Heads and closures also were determined and ellipsoidal head was selected. The design
of vessels subject to combined loading including dead weight of vessel, analysis of stress and wind
load also was calculated. Then, vessel support also was determined. Finally, the design was
finalized by drawing the fluidized bed reactor using Autocad software. Last but not least, it can be
conclude that fluidized bed reactor is safe and suitable to be used in the production of acetonitrile.

41
6.0

REFERENCES

1. Alexandre C. D and Costin S. B. (2008) Chemical Process Design: Computer-Aided case

Studies. ISBN: 978-3-527-31403-4. Pp 313-337.
2. Anderson, K.(2012).SS316/SS304 vs. SS316L/SS304L. Retrieved on June 6, 2013 from
http://www.portlandbolt.com/faqs/ss316ss304-vs-ss316lss304l/
3. Cepsi, D., Passarini, F., Neri, E., Vassura, I., & Ciacci, L. (2014). Life Cycle Assessment
Comparision of Two Ways for Acrylonitrile Production: the SOHIO Process and an
Alternative Route Using Propane. Journal of Cleaner Production, 69, pp 17-25
4. Dr Sanju N. (2008). Reactors And Fundamentals of Reactors Design For Chemical
Reaction. Pharmaceutical Engineering. pp 3-9
5. INEOS, n.d. Acetonitrile: Safe Storage and Handling Guide.
Retrieved from
http://www.ineos.com/globalassets/ineosgroup/businesses/ineosnitriles/she/2007_acetoni
trile_brochure.pdf
6. Nicholas B., Gabriella S., Daniel S., John W., (2009) Modelling Of A Catalytic Packed
Bed Reactor And Gas Chromatograph Using Comsol Multiphysics. Worcester Polytechnic
Institute. wmc 0675. pp 8-13.
7. Turton, R. Bailie, R. C. Whiting, W. B. Shaeiwitz, J. A. Bhattacharyya, D. (2013).
Analysis, Synthesis, and Design of Chemical Processes. 4th edition. Upper Saddle River,
NJ: Prentice hall PTR. pp 315-364
8. Sinnott, R. &Towler, G.(2009). Chemical Engineering Design 5th Edition.Elsevier td.pp
979-1055.
9. Thomas, B., et al., (2007). Dehydration of Aldoximes Over H-zeolites: a Convenient and
Highly Atom Economic Method for the Preparation of Nitriles. Chem. Eng. J. 133, pp 5968