Simulation of Manufacturing Process of Nitrobenzene PDF

DESIGN & SIMULATION OF NITROBENZENE MANUFACTURING PROCESS
INDEX
SR.NO. CONTENTS PAGE NO.

1 Chapter 1 4
Introduction
2 Chapter 2 6
Literature Review
2.1. Process For Production Of Nitrobenzene
2.2. Selection Of Process
2.3. Manufacturing Process Of Nitrobenzene
2.4. Chemical And Physical Properties
3 Chapter 3 15
Thermodynamic Feasibility
3.1. Reaction Data For Formation Nitrobenzene
3.2. Calculations
4 Chapter 4 23
Design Of Distillation Column

5 Chapter 5 29
Simulation Using Aspen

5.1 Introduction to Aspen
5.2 Starting With Process Simulation
6 Chapter 6 49
Result summary
6.1 Material Balance Over Reactor
6.2 Material Balance Over Decanter
6.3 Material Balance Over Distillation Column
6.4 Overall Material Balance
7 Chapter 7 53
Conclusion
8 Chapter 8 55
References
9 APPENDIX A 58
FAMT ,Ratnagiri Page 1

FIGURE INDEX
FIGURE FIGURE NAME PAGE NO.

NO.
1 2.1 Manufacturing Process Of Nitrobenzene 11
2 4.1 Rectification section 27
3 4.2 Stripping Section 28
4 5.1 Flowsheeting 34
5 5.2 Title Page 35
6 5.3 Component Entry 36
7 5.4 Selection Of Property Method 37
8 5.5 Mixer 38
9 5.6 Reactor 39
10 5.7 Reaction Input 40
11 5.8 Decanter 41
12 5.9 Distillation 42
13 5.10 Result Summary 43
14 5.11 Strem Result Over Mixer 44
15 5.12 Strem Result Over Reactor 45
16 5.13 Strem Result Over Decanter 46
17 5.14 Strem Result Over Distilation Column 47

TABLE INDEX
TABLE NO. TABLE NAME PAGE NO
1 2.1 Properties Of Benzene 11
2 2.2 Propetries Of Suphuric Acid 12
3 2.3 Properties Of Nitric Acid 13
4 2.4 Properties Of Nitrobenzene 14
5 2.5 Enthalpy Data At Standard State 16
6 2.5 Entropy Data At Standard State 16
7 2.5 Specific Heat Data At Standard State 17
8 5.1 Stream Result Overall 48
9 6.1 Material Balance Over Reactor 50
10 6.2 Material Balance Over Decanter 50
11 6.3 Material Balance Over Distillation Column 51
12 6.4 Overall Material Balance 52

CHAPTER-I
INTRODUCTION

INTRODUCTION
Nitrobenzene (some time called the oil of Mira-bane) C6H5NO2 is pale yellow liquid
with an odour that resembles bitter almonds, Depending upon the compounds purity. Its
colour various from pale yellow to yellowish brown liquid boiling at 483 K (101 KPa) and
freezing at 287.7 K as bright yellow crystals. It is quite toxic to human system.
Nitrobenzene was first synthesized in 1834 by treating benzene with fuming nitric
acid. And it was first produced commercially in England in 1856. The elective‟s ease of
aromatic nitration has contributed significantly to the large and varied industrial application
of nitrobenzene, other aromatic nitro- compounds and their derivatives
A continues process for the production for the production has been developed by
M/S.Biazzi of Switzerland. The advantages of this process are lower concentration of mixed
said used and higher reaction rate. The reactants are kept mixed under high speed agitation
(600 rpm) and cooling due to control feed rate and rapid agitation. The reaction time is about
.[4][5]
15 – 20 minutes, where the yield is higher than 99% of theoretical

CHAPTER-II
LITERATURE REVIEW
2.1. Process For Production Of Nitrobenzene

2.2. Selection Of Process
2.3. Manufacturing Process Of Nitrobenzene
2.4. Chemical And Physical Properties

LITERATURE REVIEW
2.1 PROCESS FOR PRODUCTION OF NITROBENZENE
Nitrobenzene is manufactured by nitration of benzene using mixture of Nitric and sulphuric

acid.
Nitration can be done by two processes. Via.
[1] Batch Process.
[2] Continuous process.
2.1.1 BATCH PROCESS
In batch process the nitrator is charged with benzene and mixed acid (HNO 3 32 – 39
%, H2SO4 60 -53 %, H2O 8%) is added slowly below surface of benzene. The rate of
agitation is such that both the acid & benzene phases are in intimate contact. The feed rate of
mixed acid and the rate of cooling are such that during the entire period of acid addition, the
temperature of nitrator is maintained at 323 -328 K. after complete addition of acid, The acid
and organic layers are drained into separate vessel from where spent acid is drawn off for
reconcentration. This crude product is washed with water to remove contamination in the
nitrobenzene and the aqueous sodium carbonate solution to remove small traces of nitro
phenols formed during nitration. Particularly when the product is to be further nitrated,
removal of nitrophenolic impurities is important, since they way undergo unwanted side
reaction during subsequent nitration. The product is further purified by distillation and the
[4][5]
yield is 95 – 98% of the theoretical.

2.1.2 CONTINUOUS PROCESS
A continuous process for the production of nitrobenzene has been developed by M /

S.Biazzi of Switzerland. The advantages of this process are the lower concentration of mixed
acid is used and higher reaction, rates though the sequence of operations is the same as in
bath process. Continuous nitrator with capacity of 150 lit. Can produce as a 7500 capacity
batch nitrator, but at the same time of quantity a reactants in nitrator is considerably small,
unlike the batch process.
Mixed acid and benzene are fed to nitrator in such that all nitric acid is utilized for nitraton of
benzene. The reactants are kept mixed under high speed agitation (600 rpm) and cooling.
Due to the controlled feed rate and rapid agitation, the reaction time is 15 to 20 minutes only
at reaction mixture is drawn off side of nitrator. The mixture is sent to decanter, where the,
[4][5]
product is separated from spend acid for further processing.
2.2 SELECTION OF PROCESS
Continuous process, in general, will be found to have the following to have the
following advantages over batch process.
[1] Lower Capital Cost.
[2] Safety
[3] Labour Usage.
2.2.1 LOWER CAPITAL COST
For a given rate of production, the equipment needed for a continuous process is
smaller than for a batch process. This is usually the striking different between the two types
of process. The reason for that is obvious since, it is not necessary to accumulate material in
a continuous process anywhere; the vessel is designed with capacity dictated by the rate of
reaction process step which they must accommodate. Alternatively, because of relatively
small size of continuous process equipment, it is often possible and excessively high in cost
for batch scale equipment. Thus for example Corrosion resistance alloys such as appropriate
S.S. may be detected for a batch plant because of cost. In case of S.S. corrosion problems are
completely eliminated.
2.2.2 SAFETY
Because of relatively small size of continuous process equipment, there is less

material in process at any time than at certain in a comparable batch process. At the
completion of batch process nitration and during its normal separation of product from spent
nitrating acid, the entire batch of an often hazardous compound will be present in the
equipment.
In the continuous process, only as much material need be present in hazardous

conditions as needed to again sufficient reaction of process time. In case of high explosive
[3].
made by nitration, this process has inherent safety factor is very attractive
2.2.3 LABOUR USAGE
In the nitration filed the continuous process is usually more efficient labour usage
than a batch process. This is particularly true for small or medium scale production and for
hazardous products, since continuous processing minimizes the amount the material in
process on average. It is often possible to handle operations at one place that efficiency tends
to disappear as the scale of operations increases.
2.3 MANUFACTURING PROCESS OF NITROBENZENE
Nitrobenzene is manufactured commercially by direct nitration of benzene using a

mixture of nitric acid and sulphuric acid, which is commonly referred to as mixed acid for
nitrating acid. The reaction is conducted is specially build cast iron are S.S. reaction vessel

provided with agitator, external jacket and internal coils. Since two phases ate formed in
reaction mixture and reactant ate distributed between them. Rate of nitration is controlled by
transfer between the phases as well as by chemical kinetics.
Benzene used is of commercial quality. Mixed acid contain of 56 – 60 wt % H2SO4, 20 – 26

wt% nitric acid and 15 – 18% water. Sulphuric acid used is of 94% - 98% concentration and
nitric acid commercial grade of 55% - 60% concentration.
Benzene is charged to the nitrator. Mixed acid is slowly added on surface of benzene from
dosing tank with stirring. The ratio of mixed acid to benzene is kept around 2.5 : 1.0. The
temperature mass is maintain initially at 25 – 30°C. So by high speed agitator and proper
cooling coils reaction temperature can maintained upto 50 – 55°C. By obvious agitation, the
interfacial area, of the reaction mixture is maintained as high as possible, thereby enhancing
the mass transfer of reactants and cooling coils, which control the temperature of highly
.[4]
exothermic reaction
A slight excess of benzene usually is fed into the nitrator of ensure that the nitric acid in
mixed acid is formation of denitrobenzene. Reaction time is only 15 – 20 minutes because of
rapid and efficient agitation.
Nitrobenzene and spent acid are removed from the side reactor and send to decanter unit.
Organic and aqueous layers are formed, where two layers are separate in 10 to 20 minutes.
The aqueous phase or spent acid is drawn from the bottom and is concentrated in a sulphuric
acid is drawn from the bottom and is concentrated in a sulphuric acid reconcentration step or
is recycled to the nitrator, where it is mixed nitric acid and sulphuric acid immediately prior
to being fed into nitrator.
The crude Nitrobenzene can used directly for production of aniline if required, otherwise the
crude nitrobenzene flows through a series of washer – separators, where residual acid is
removed by washing with a dilute sodium carbonate solution followed by final washing with
water.The product is then distilled to remove benzene and the nitrobenzene can be refined by
vacuum distillation. Theoretical yields are 96 – 99 %. The nitration process is unavoidably
associated with the disposal of waste water from washing step. This water principally
contains Nitrobenzene, some sodium carbonate and inorganic salts from the neutralized spent

acid which was present in the product. Generally, the waste water is extracted with benzene
to remove the nitrobenzene and the benzene that is dissolved in the water is stripped from
[6]
water prior to the final waste treatment.
Fig No-2.1 Manufacturing Process Of Nitrobenzene
[7]
2.4 CHEMICAL AND PHYSICAL PROPETRIES
2.4.1 PROPERTIES OF BENZENE
PHYSICAL PROPERTY-
PROPERTY VALUE
Molecular Weight 78.11
Melting Point, °C 5-533
Boiling Point, °C 80.1
Density, Kg/cum 873.7

Refractive index 1.49792
Viscosity (absolute, at 20°C) 0.6468
Flash point, °C -11.1
Heat of fusion, kJ/kmole 9.847
Table No-2.1 Properties Of Benzene
[14][15][16]
CHEMICAL PROPERTY
REACTION WITH WATER:-
Water and benzene are non-reactive unless high and pressure are applied.
2.4.2 PROPETRIES OF SUPHURIC ACID
PHYSICAL PROPERTY-
PROPERTY VALUE
Boiling Point, °c 330.0
Density, at 20°C, gm/cc 1.834
Flash Point None
Vapour pressure at 145°C mmHg 1.0
TLV, mg/cum. 1.0
Freezing Point, °C 10.48
Table No-2.2 Propetries Of Suphuric Acid

[14][15][16]
CHEMICAL PROPERTY
REACTION WITH WATER:-
Has great affinity for water, absorbs atmospheric moisture and absorbs water from organic
material causing charring. Sulphuric Acid reacts with water vigorously liberating large
amount of heat.
REACTION WITH METAL AND OTHER ELEMENTS:-
When cold, it reacts with metal including platinum when not, reactivity is intensified.
Sulphuric acid on reaction with metals causes liberations of flammable hydrogen.
Cu + H2SO4 → CuSO4 + H2
Zn + H2SO4 → ZnSO4 + H2
2.4.3 PROPERTIES OF NITRIC ACID
PHYSICAL PROPERTY-
PROPERTY VALUE
Boiling Point 86.0
Melting point °C -42.0
Density, at 20°C,gm/cc 1.502
Flash point None
Solubility in water Soluble in water
TLV, mg/cum. 2-5
Freezing point, °C 10.48
Table No. 2.3 Properties Of Nitric Acid

CHEMICAL PROPERTIES :-
REACTION WITH WATER :-
Nitric Acid reacts with water to produce heat, toxic and corrosive fumes.
REACTION WITH METALS AND OTHER ELEMENTS :-
Nitric acid is corrosive to most of metals like zinc to form nitrate with evolution of hydrogen.
Cu + 2HNO3 → Cu (NO3)2 + H2
Zn + 2HNO3 → Zn (NO3)2 + H2
2.4.4 PROPERTIES OF NITROBENZENE
PHYSICAL PROPERTY-
PROPERTY VALUE
Boiling Point, °C 201.9
Melting point, °C 5.85
Density, at 20°C, gm/cc 1.344
Flash point 88.0
Auto ignition temp., °C 482.0
Explosive limit (at 93°) 1.8 Vol % in air
Vapour density 4.1
Table No. 2.4 Properties Of Nitrobenzene

CHAPTER III
THERMODYNAMIC FEASIBILITY
3.1. Reaction Data For Formation Nitrobenzene
3.2. Calculations

THERMODYNAMIC FEASIBILITY
3.1 REACTION DATA FOR FORMATION NITROBENZENE[7]
REACTION:-
C6H6 + HNO3 <===============> C6 H5 NO2 + H2 O
DATA :-
HEAT OF FORMATION ( kcal/gmole)
Benzene (liquid) 11.71
Nitrobenzen (liquid) 13.76
Nitric acid (liquid) -41-61
Water (liquid) -68.315
Table No. 2.5 Enthalpy Data At Standard State
ENTHROPY kJ/(kmol.K)
Nitrobenzene (Liquid) 364.61
Nitric acid (liquid) 110.113
Water (liquid) 69.92
Table No. 2.6 Entropy Data At Standard State

SPECIFIC HEAT AT 25 °C kJ/(kmol.K)
Nitrobenzene (liquid) 185.361
Nitric acid (liquid) 111.113
Water (liquid) 75.362
Table No. 2.7 Specific Heat Data At Standard State
3.2 CALCULATIONS[11]
From heat of formation data:
∆HR = HPRODUCTS - HREACTANTS
= ( HNB + HWATER ) - ( HBENZENE + HNITRIC ACID )
= ( 13.76 – 68.315 ) - (11.71 – 41.61)
∆HR = -24.655 kcal/gmmole
∆HR = -103157 kJ/(kmol)
From specific heat data:
Cpavg = CpPRODUCT - CpREACTANT
= ( CpNB + CpWATER ) - ( CpBENZENE + CpNITRIC ACID )

= ( 185.361 + 75.362 ) - ( 91.73 + 111.113 )
Cpavg = 57.88 kJ/(kmol.K)
From entropy data:
∆S = SPRODUCTS - SREACTANTS
= ( SNB + SWATER ) - ( SBENZENE + SNITRIC ACID )
= ( 364.61 + 69.92 ) - ( 172.91 + 110.113 )
∆S = 151.507 kJ/(kmol.K)
For ∆HR At Reaction Temperature:
∆HR = ∆H° - Cp.T
∆H° = ∆HR + Cp.T
= -103157 + 57.88 × 298
= -85908.76 kJ/(kmol)
Therefore, ∆HR at 323 K,
∆HR = -85908.76 – ( 57.88 ×323 )
= -104604 kJ/(kmol)
Similarly, for ∆S At Reaction Temperature:
∆S = ∆S° + CplnT
∆S°= ∆S - CplnT
= 157.507 - 57.88 ×In (298)
= -178.24 kJ/(kmol.K)
Therefore, ∆S at 323 K,
∆S = -178.507 + 57.88 ×In (323)
= 156.17 kJ/(kmol.K)
Now using Standard free energy change relation,
∆G° = ∆HR - T∆S
= -104604 – (323×156.17)
= -155046.91 kJ/(kmol)
Since ∆G° is negative it can thermodynamically feasible Reaction
By using Van‟t Hoff Isotherm,
∆G° = -RT lnKp
lnKp =
= 57.73
Kp = 1.18 ×1025
Since Kp = Kx×P∆n
For our reaction,
∆n = (1+1)-(1-1)

= 0
Kp = ×P0
Kp = = Kx
Now,taking material balance,
Composition of mixed acid(Weight basis):
25% Nitric acid
58% Sulphuric acid
17% Water
Consider 1000 kg of mixed acid.
Nitric acid 250 kg = 3.97 kmole
Water 170kg = 9.44 kmole
Sulphuric acid 580 kg = 5.92 kmole
----------------------------
Total moles 19.33 kmole

Mole % of Nitric acid = 20.5 %
Water = 48.8 %
Sulphuric acid = 30.7 %
But benzene mixed acid
1----------------------------> 2.5
400kg <------------------------------- 1000kg
Moles of benzene = 5.128 --------------------> 19.314
Moles of benzene = 1 ----------------> 3.766 moles of
Moles of acid = 3.766 X 0.205 = 0.772 moles
Reaction of nitrobenzene
C6H6 + HNO3 → C6 H5 NO2 + H2 O

Initially 1 0.772 0 0
Reacted X X X X
At. equilibrium (1-X) (0.772-X) X X
Kx = X2
-----------------------
(1 - X) (0.772 - X)
X2
1.18 ×1025 = ---------------------------------------
X2 - 1.73 X + 0.73
X2 - 1.772 X + 0.772 = 0
X = 0.772
Extent of reaction = 0.772

CHAPTER IV
DESIGN OF DISTILLATION COLUMN

[10]
DESIGN OF DISTILLATION COLUMN
Basis ; 1 hour of operation.
Mass flow rate of feed = 740.75 kg/hr.
Mass flow rate of distillate = 32.3 kg/hr.
Mass flow rate of bottom = 708.38 kg/hr.
Xf =
= 0.317/1.401
= 0.226
Xd = 2.8075/3.048
= 0.92
Xw = 0.0036/1.08667
= 0.003
Average Molecular weight of feed = 110.556
Feed rate = 593.568 kg/hr
Slope of q-line ;
We know that q = Hg-Hf / Hg-Hl
q=1
slope of q-line:
slope of q-line = q/q-1
= 1/1-1
Tan-1(α) = 0

q line is st.line
Xd / Rm+1 = 0.05
Rm+1 = 1/0.05
Rm+1 = 20
Rm = 19
R = 1.2 Rm
R = 22.8 ∼ 23
Xd = 1 = 0.042
Rm+1= 23+1 =24
From Mc-cabe Thile Graph
X 0 0.01 0.02 0.03 0.045 0.07 0.10 0.155 0.20 0.30
Y 0 0.03 0.485 0.63 0.74 0.82 0.88 0.92 0.94 0.964
Ideal Plate = 16 (From Graph)
Actual Plate = Ideal/n = 16/0.6
Actual Plate = 26.66
Height:
Plate Spacing = 450 mm = 0.45m
Ht = (Actual Plate-1)×0.45 + 2(0.45)
= 12.45m

Diameter :
Vap rate = v = D(R+1)
= 0.0087(23+1)
n = 0.21 kmole/hr
Top Column :
Vol.rate = nRT/P
= 0.21×8.314×103×(82+273)/ 1.01325×105 = 6.1170 m3/hr
Vol rate = 1.7×10-3 m3/sec
Velocity = 1 m/sec
Area = Vol rate / Velocity
= 1.7×10-3 /1 = 1.7×10-3 m2
Area = π D2 /4
D2 = 4A /π
D = 0.047 m
Bottom column:
Vol.rate = nRT/P
= 0.21×8.314×103×(210+273)/ 1.01325×105 = 8.32 m3/hr
Area = Vol .rate / Velocity
Velocity = 1 m/sec
Area = 2.31×10-3 m2
2
A=πD /4

D2 = 4A /π
D = 0.054 m
Both diameters are approximately same ,
we choose the larger diameter (i.e) bottom diameter
Bottom diameter D= 0.054 m
DESIGN SUMMARY
Ideal plate = 16.00
Actual Plates = 26.66
Column Height = 12.45 m
Column Diameter = 0.054 m
Fig No. 4.1 Rectification Section

Fig No-4.2 Stripping Section

CHAPTER V
SIMULATION USING ASPEN

SIMULATION USING ASPEN
5.1 INTRODUCTION TO ASPEN[8]
5.1.1 What is a Process Flowsheet?
Process flowsheet can simply be defined as a blue print of a plant or part of it. It
identifies all feed streams, unit operations, streams that inter-connect the unit Operations and
finally the product streams. Operating conditions and other technical Details are included
depending on the detail level of the flowsheet. The level can vary from a rough sketch to a
very detailed design specification of a complex plant. For steady-state operation, any process
flowsheet leads to a finite set of algebraic equations. For a case where we have only one
reactor with appropriate feed and Product streams the number of equations may be
manageable by manual hand calculations or simple computer applications. However, as the
complexity of a flowsheet Increases and when distillation columns, heat exchangers,
absorbers with many purge and recycle streams come into the picture the number of
equations easily approach many ten thousands. In these cases, solving the set of algebraic
equations becomes a Challenge in it. However, there are computer applications called
process flowsheet simulators specialized in solving these kinds of large equation sets. Some
well-known process flowsheet simulators are Aspen Plus, ChemCad and PRO/II.These
products have highly refined user interfaces and on-line component databases. They are used
in real world applications from interpreting laboratory scale data to monitoring a full scale
plant.
5.1.2 Advantages of using a process flowsheet simulator
The use of a process flowsheet simulator is beneficial in all the three stages of aPlant:
research & development, design and production. In research & development they help to cut
down on laboratory experiments and pilot plant runs. In design stage they enable a speedier
development with simpler comparisons of various alternatives.
Finally, in the production stage they can be used for risk-free analysis of various what-if
scenarios
5.1.3 Disadvantages of using a process flowsheet simulator
Disadvantages of using a process flowsheet simulatorManual solution of a problem

usually forces someone to think deeper on theProblem, find novel approaches to solve it, and
evaluate and re-evaluate the Assumptions closer. A drawback of process flowsheet
simulators may be cited as the Lack of this detailed interaction with the problem. This might
act as a double edged Sword. On one side it hides the complexities of a problem so you can
concentrate on the real issues at hand. On the other side this hiding may also hide some
[8]
important Understanding of the problem as well,
5.1.4 History
In 1970s the researchers at MIT‟s Energy Laboratory developed a prototype

forProcess simulation. They called it Advanced System for Process Engineering
(ASPEN).This software has been commercialized in 1980‟s by the foundation of a
companyNamed AspenTech. AspenTech is now a publicly traded company that employs
1800People worldwide and offers a complete integrated solution to chemical
processIndustries.This sophisticated software package can be used in almost every aspect of
processengineering from design stage to cost and profitability analysis. It has a built-in
modelLibrary for distillation columns, separators, heat exchangers, reactors, etc. Custom
orPropriety models can extend its model library. These user models are created with
FORTRAN subroutines or Excel worksheets and added to its model library. Using
VisualBasic to add input forms for the user models makes them indistinguishable from
theBuilt-in ones. It has a built-in property databank for thermodynamic and
physicalParameters. During the calculation of the flow sheet any missing parameter can
beestimated automatically by various group contribution methods.In this workshop we will
only scratch the surface of this tool. We will discuss itsAdvantages and disadvantages. Our
focus will be on reactors and our goal is to provideyou with a smooth and simple introduction

to Aspen Plus. Let‟s start our workshop bylearning how to access Aspen Plus at the
University of Michigan.
5.1.5 What is an Aspen plus Process Simulation Model?
A process consists of components being mixed, separated, heated, cooled a Converted

by unit operations. These components are transferred from unit to unitthrough process stream
you can translate a process into an Aspen plus process simulation model bydoing the
following steps:
1. Define the process flowsheet configuration. To do this step, you:
Define the unit operations in the process
Define the process streams that flow between these unit operations
Select unit operation models from the Aspen Plus model library to
Describe each unit operation
2. Specify the chemical components in the process. You can take these
Components from the Aspen Plus databanks, or you can define them.
3. Choose appropriate thermodynamic models from those available in Aspen
Plus, to represent the physical properties of the components and mixtures in
The process.
4. Specify the component flow rates and the thermodynamic conditions (for
Example, temperature and pressure) of feed streams to the process.
5. Specify the operating conditions for the unit operations in the flowsheet.
When you have specified this information, you have defined an Aspen Plus
Process simulation model of your process. You can use the Aspen plus processSimulation
model to predict process behaviour.

With Aspen Plus you can interactively change specifications, such as

flowsheetConfiguration, operating conditions, and feed compositions, to run new cases
andAnalyse alternatives. In addition to process simulation, Aspen Plus allows you to perform
a wide rangeof other tasks such as estimating and regressing physical properties,
generatingCustom graphical and tabular output results, data-fitting plant data toSimulation
models, costing your plant, optimizing your process, and interfacingResults to spread sheets.
5.1.6 Why Use Process Simulation?
Process simulation allows you to predict the behaviour of approves by using

basicEngineering relationships, such as mass and energy balances, and phase and Chemical
equilibrium. Given reliable thermodynamic data, realistic operating Conditions, and rigorous
equipment models, you can simulate actual plant Behaviours. Process simulation enables you
to run many cases conduct "what if" Analyses, and perform sensitivity studies and
optimization runs. With simulation, you can design better plant and increase profitability in
existing plants.

5.2 STARTING WITH PROCESS SIMULATION
1] First stating with Blank Simulation we must design our required flowsheet with proper
stream names & block names .each stream is properly connect to the proper unit.After doing
this we click Next to the required input step by step.
Fig No 5.1-Flowsheeting
2] we input Title of our simulation with all units are in SI units.
Fig No 5.2-Title Page

3] We input our components that takes part in process operation,all conventional types
It involves nitrobenzene,benzene,water,sulphuric acid,nitric acid.
Fig No 5.3 –Component Entry

4] This is the step where you put property method.From our investigation in aspen running
plant we know that NRTL is the best property method applied where large water usage in
operation or process.
Fig No 5.4- Selection Of Property Method

5] Then we come at Block of Mixer where we fed H2SO4, H2O, HNO3 in desired proportion
to make Mixed acid.In mixer we operate at normal temperature & pressure.
Fig No 5.5-Mixer

6] Next to we selected stoichiometric reactor since we know only the extent of reaction &
stoichiometric reaction coefficients operating at 50 °C
Fig No 5.6-Reactor

7] Insert our reaction in new option with correct coefficient
Fig No 5.7 Reaction Input

8] Moving on to decanter we fed extra water to this unit in order to remove sulphuric acid
effectively.we select nitrobenzene is our key component
Fig No 5.8-Decanter

9] Distillation column is where we obtained our desired product in Bottom stream from data
we find out optimum feed ratio
Fig No 5.9- Distilation

10] Final next to Run the simulation
Summary obtained,
Fig No 5.10-Result Summary

11 Now we take stream result over each block
First is Mixer which has 3 inlet stream & 1 outlet stream
Fig No 5.11-Strem Result Over Mixer

12] Second block is stoichiometric reactor where we provide benzene with mixed acid in
1:2.5 proportion.Crude nitrobenzene is obtained .
Fig No 5.12-Strem Result Over Reactor

13] Third stream result over Decanter
Fig No 5.13 -Strem Result Over Decanter

14] Last stream result over a distillation column in the bottom stream we get our final
product
Fig No 5.14 -Strem Result Over Distilation Column

15] Steam result obtained from overall result
Table No 5.1-Strem Result Overall

CHAPTERVI
RESULT SUMMARY

RESULT SUMMARY
6.1 MATERIAL BALANCE OVER REACTOR
SR. COMPONENTS INPUT OUTPUT

NO (kg/hr) (kg/hr)
1 BENZENE 400 91.07
2 NITROBENZENE - 486.2
3 WATER 241.84
4 NITRIC ACID 1000 0.89
5 SULPHURIC ACID 580
TOTAL 1400 1400
Table No.6.1 Material Balance Over Reactor
6.2 MATERIAL BALANCE OVER DEACNTER

INPUT OUTPUT
(kg/hr) (kg/hr)
SR. COMPONENTS SPENT ACID ORGANIC PHASE
NO STREAM
1 BENZENE 91.07 2.09 88.98
2 NITROBENZENE 486.2 9.88 476.32
3 WATER 241.84+2000 2241.43 0.41
4 NITRIC ACID 0.89 0.89 -
5 SULPHURIC 580 553.51 26.49
ACID
TOTAL 3400 3400
Table No.6.2 Material Balance Over Decanter

6.3 MATERIAL BALANCE OVER DISTILLATION COLUMN
INPUT OUTPUT
(kg/hr) (kg/hr)
SR. COMPONENTS TOP PRODUCT BOTTOM PRODUCT
NO
1 BENZENE 88.98 78.6 10.38
2 NITROBENZENE 476.32 - 476.32
3 WATER 0.41 0.41 -
4 NITRIC ACID - - -
5 SULPHURIC ACID 26.49 - 26.49
TOTAL 592.2 592.2
Table No.6.3 Material Balance Over Distillation Column

6.4 OVERALL MATERIAL BALANCE
INPUT OUTPUT
(kg/hr) (kg/hr)
SR. COMPONENTS TOTAL SPENT TOP PDT BOTTOM
NO ACID STREAM PDT
STREAM STREAM
1 BENZENE 400 2.09 78.6 10.38
2 NITRIC ACID 250 0.89 - -
3 SULPHURIC 580 553.51 - 26.49

ACID
4 WATER 170 + 2000 2241.43 0.41 -
5 NITROBENZENE - 9.88 - 476.32
TOTAL(kg/hr) 3400 3400
Table No. 6.4 Overall Material Balance
Conversion of benzene is 77 %
Purity of Nitrobenzene in bottom product is 92.8 %.

CHAPTER VII
CONCLUSION

CONCLUSION
It is very important for any process to kow that parameters like composition, streams,
temperature, pressure etc may affect the production rate.One must have perform pilot plant in
order to know this, so each time we need manual calculation to get desired results,this is so
time consuming. So the use of simulaters like ASPEN, CHEMCAD are helpful.Simulation &
modeling useful in doing risk analysis in production process.
In our project we simulate continuous process for nitrobenzene production using

benzene nitration.In that we know about how actually parameters mention above may affect
each stream.For example we first added calculated amount of extra water to decanter,but
from that action we know that how much extent it affect the each stream,so we are finaly able
to find the optimum amount of water required for operation.
Generally it is difficult to obtain desired result manually that is why we simulate it

using ASPEN PLUS .And we searching new techniques as possible in order to get the
optimum production. Also we can check where is the opportunity to increase the conversion
& reduce the losses as well as maintenance cost.

CHAPTER VIII
REFERENCES

REFERENCES
Books,
[1]B.I. Bhatt & S.M. Vora. “ Stoichiometry”, Tata – Mcgraw Hill Publishing Co. Ltd.
[2]Dryden C. E., “Drydens Outline Of Chemical Technology”. East – West Press Pvt.
Ltd;(536)
[3]G. D. Muir, “Hazardous In Chemical Laboratory” The Chemical Society, London.
[4]Kirk – Othmer „Encyclopedia Of Chemical Technology‟.Vol. – 15. Wiley
Intenscience Publications, 1979.(138-139)
[5]P.H.Groggins .„Unit Process In Porganic Synthesis.‟ Mcgraw – Hill International
Book Co.
[6]R.Norris Shreve & Joseph A. Brink Jr.„Chemical Process Industries‟.Mcgraw – Hill
International Publications.(776-778)
[7]Robert H. Perry „Perry‟s Chemical Engineering Handbook‟.Mcgraw – Hill
International Publications.(642-644)
[8]Amiya K. Jana. „Process Simulation And Controle Using Aspen‟.PHI Learning Private
Limited ,Second Edition ,2012
[9]Bhattacharya A., Purohit V. C., Suarez, V.; Tichkule, R; Parmer, G.; Rinaldi, F.
(2006). "One-step reductive amidation of nitro arenes: application in the synthesis of
Acetaminophen" Volume 47, Issue 11, 13 March 2006, Pages (1861–1864)
[10]M.V.Joshi,Mahajani, Joshi's Process Equipment Design, Macmillan, 2009
[11]K.A.Gavane,”Chemical Reaction Engineering-I”,Nirali Publication,2012, Chapter 6
(6.1-6.15)
Journal Papers,
[12]R. D. BIGGS and R. R. WHITE „ Rate of Nitration of Benzene with Mixed Acid‟
University of Michigan, Ann Arbor, Michigan 2000
[13]J. Chil. Chem. Soc. vol.57 no.2 Concepción 2012, págs: 1194-1198.

[14]V. Dubois, G. James, J.L. Dallons, A. Van Geysel, In Catalysis of Organic Reactions,
M. Ford, Ed; Marcel Dekker, New York, 1994, Vol.82, p. 1.
[15]Laali, Kenneth K., and Volkar J. Gettwert. “Electrophilic Nitration of Aromatics in
Ionic Liquid Solvents.” The Journal of Organic Chemistry 66 (Dec. 2000): 35-40.
American Chemical Society.
[16]Sauls, Thomas W., Walter H. Rueggeberg, and Samuel L. Norwood. “On the
Mechanism of Sulfonation of the Aromatic Nucleus and Sulfone Formation.” The
Journal of Organic Chemistry 66 (1955): 455-465. American Chemical Society.

APPENDIX A

SIMULATION REPORT
ASPEN PLUS PLAT: WIN32 VER: 10.2.1 04/28/2014 PAGE 1
MANUFCTURING OF NITROBENZENE
RUN CONTROL SECTION
RUN CONTROL INFORMATION
-----------------------
THIS COPY OF ASPEN PLUS LICENSED TO
TYPE OF RUN: NEW
INPUT FILE NAME: _0812ogh.inm
OUTPUT PROBLEM DATA FILE NAME: _0335nde VERSION NO. 1
LOCATED IN:

PDF SIZE USED FOR INPUT TRANSLATION:
NUMBER OF FILE RECORDS (PSIZE) = 0
NUMBER OF IN-CORE RECORDS = 256
PSIZE NEEDED FOR SIMULATION = 1
CALLING PROGRAM NAME: apmain
LOCATED IN: C:\PROGRA~2\ASPENT~1\ASPENP~1.2\Engine\xeq
SIMULATION REQUESTED FOR ENTIRE FLOWSHEET
INPUT SECTION
INPUT FILE(S)
-------------
;Input Summary created by Aspen Plus Rel. 10.2.1 at 19:39:35 Sun Apr 27, 2014
;Directory G:\Aspen new\aspen save Filename _0812ogh.dan

TITLE 'MANUFCTURING OF NITROBENZENE'
IN-UNITS SI
DEF-STREAMS CONVEN ALL
SIM-OPTIONS
IN-UNITS ENG
SIM-OPTIONS NPHASE=1 PHASE=L ATM-PRES=101325. <N/sqm>
DATABANKS PURE10 / AQUEOUS / SOLIDS / INORGANIC / &
NOASPENPCD
PROP-SOURCES PURE10 / AQUEOUS / SOLIDS / INORGANIC
COMPONENTS
C6H5NO2 C6H5NO2 /
H2SO4 H2SO4 /
H2O H2O /
HNO3 HNO3 /
C6H6 C6H6
FLOWSHEET NBMFG
BLOCK RSTO IN=C6H6 MIXACID OUT=CNB
BLOCK DECANTER IN=CNB OUT=SPA ORGANIC
BLOCK DIST IN=ORGANIC OUT=TOP BOTTOM
BLOCK MIXER IN=HNO3 H2O H2SO4 OUT=MIXACID
DEF-STREAMS CONVEN NBMFG
PROPERTIES NRTL
PROP-DATA NRTL-1
IN-UNITS SI
PROP-LIST NRTL
BPVAL C6H5NO2 H2O -5.154900000 2270.617200 .2000000000 0.0 &
0.0 0.0 273.1500000 379.7500000
BPVAL H2O C6H5NO2 5.854700000 229.4967000 .2000000000 0.0 &
0.0 0.0 273.1500000 379.7500000
BPVAL C6H5NO2 C6H6 -.8730000000 630.1689000 .3000000000 0.0 &
0.0 0.0 343.1500000 484.1500000
BPVAL C6H6 C6H5NO2 -1.289300000 98.83280000 .3000000000 0.0 &
0.0 0.0 343.1500000 484.1500000

BPVAL H2O C6H6 140.0874000 -5954.307100 .2000000000 0.0 &
-20.02540000 0.0 273.9500000 350.1500000
BPVAL C6H6 H2O 45.19050000 591.3676000 .2000000000 0.0 &
INPUT SECTION
INPUT FILE(S) (CONTINUED)
-7.562900000 0.0 273.9500000 350.1500000
STREAM C6H6
SUBSTREAM MIXED TEMP=298. PRES=101325. MASS-FLOW=400. <kg/hr>
MASS-FRAC C6H6 1.
STREAM H2O
MASS-FRAC H2O 1.
STREAM H2SO4
MASS-FRAC H2SO4 0.98
STREAM HNO3
MASS-FRAC HNO3 0.6
BLOCK MIXER MIXER
PARAM PRES=101325. T-EST=298.
BLOCK DECANTER DECANTER
PARAM TEMP=298. PRES=101325. L2-COMPS=C6H5NO2
;Input file created by Aspen Plus Rel. 10.2.1 at 00:20:55 Mon Apr 28, 2014
;Directory G:\Aspen new\aspen save Runid simu1
BLOCK DIST DISTL
PARAM NSTAGE=26 FEED-LOC=16 RR=0.45 PTOP=101325. &

PBOT=101325. D:F=0.205
BLOCK RSTO RSTOIC
PARAM TEMP=323. PRES=101325.
STOIC 1 MIXED C6H6 -1. / HNO3 -1. / C6H5NO2 1. / H2O &
1.
CONV 1 MIXED C6H6 0.772
REPORT INPUT
INPUT SECTION
INPUT FILE(S) (CONTINUED)
STREAM EXH2O
SUBSTREAM MIXED TEMP=298. PRES=101325. MOLE-FLOW=0.0309
MOLE-FRAC H2O 1.
;Directory G:\Aspen new\aspen save Runid SIMU1
FLOWSHEET NBMFG
BLOCK DECANTER IN=CNB EXH2O OUT=SPA ORGANIC
BLOCK DIST IN=ORGANIC OUT=TOP BOTTOM

FLOWSHEET NBMFG
BLOCK DECANTER IN=CNB EXH2O OUT=SPA ORGANIC
BLOCK DIST IN=2 OUT=TOP BOTTOM
BLOCK B1 IN=ORGANIC OUT=2
FLOWSHEET SECTION
FLOWSHEET CONNECTIVITY BY STREAMS
---------------------------------
STREAM SOURCE DEST STREAM SOURCE DEST
EXH2O ---- DECANTER C6H6 ---- RSTO
H2SO4 ---- MIXER H2O ---- MIXER
HNO3 ---- MIXER CNB RSTO DECANTER
SPA DECANTER ---- ORGANIC DECANTER DIST

TOP DIST ---- BOTTOM DIST ----
MIXACID MIXER RSTO
FLOWSHEET CONNECTIVITY BY BLOCKS
--------------------------------
BLOCK INLETS OUTLETS
RSTO C6H6 MIXACID CNB
DECANTER CNB EXH2O SPA ORGANIC
DIST ORGANIC TOP BOTTOM
MIXER HNO3 H2O H2SO4 MIXACID
COMPUTATIONAL SEQUENCE
----------------------
SEQUENCE USED WAS:
MIXER RSTO DECANTER DIST
OVERALL FLOWSHEET BALANCE
-------------------------
*** MASS AND ENERGY BALANCE ***

IN OUT GENERATION RELATIVE DIFF.
CONVENTIONAL COMPONENTS
(KMOL/SEC)
C6H5NO2 0.000000E+00 0.109812E-02 0.109812E-02 -0.336175E-06
H2SO4 0.164266E-02 0.164266E-02 0.000000E+00 -0.189866E-08
H2O 0.335212E-01 0.346193E-01 0.109812E-02 0.138954E-07
HNO3 0.110207E-02 0.395223E-05 -0.109812E-02 -0.680900E-11
C6H6 0.142243E-02 0.324314E-03 -0.109812E-02 -0.764627E-07
TOTAL BALANCE
MOLE(KMOL/SEC) 0.376884E-01 0.376884E-01 0.000000E+00 0.000000E+00
MASS(KG/SEC ) 0.945561 0.945561 -0.482081E-07
ENTHALPY(WATT ) -0.110013E+08 -0.111195E+08 0.106313E-01
PHYSICAL PROPERTIES SECTION
COMPONENTS
----------
ID TYPE FORMULA NAME OR ALIAS REPORT NAME
C6H5NO2 C C6H5NO2 C6H5NO2 C6H5NO2
H2SO4 C H2SO4 H2SO4 H2SO4

H2O C H2O H2O H2O
HNO3 C HNO3 HNO3 HNO3
C6H6 C C6H6 C6H6 C6H6
U-O-S BLOCK SECTION
BLOCK: DECANTER MODEL: DECANTER
--------------------------------
INLET STREAMS: CNB EXH2O
FIRST LIQUID OUTLET: SPA
SECOND LIQUID OUTLET: ORGANIC
PROPERTY OPTION SET: NRTL RENON (NRTL) / IDEAL GAS
IN OUT RELATIVE DIFF.
TOTAL BALANCE
MOLE(KMOL/SEC) 0.376884E-01 0.376884E-01 0.000000E+00
MASS(KG/SEC ) 0.945561 0.945561 -0.482081E-07

*** INPUT DATA ***
LIQUID-LIQUID SPLIT, TP SPECIFICATION
SPECIFIED TEMPERATURE K 298.000
SPECIFIED PRESSURE N/SQM 101,325.
CONVERGENCE TOLERANCE ON EQUILIBRIUM 0.10000E-03
MAXIMUM NO ITERATIONS ON EQUILIBRIUM 30
EQUILIBRIUM METHOD EQUATION-SOLVING
KLL COEFFICIENTS FROM OPTION SET OR EOS
KLL BASIS MOLE
KEY COMPONENT(S): C6H5NO2
*** RESULTS ***
OUTLET TEMPERATURE K 298.00
OUTLET PRESSURE N/SQM 0.10132E+06
CALCULATED HEAT DUTY WATT -21917.
MOLAR RATIO 1ST LIQUID / TOTAL LIQUID 0.96043

L1-L2 PHASE EQUILIBRIUM :
COMP F X1 X2 K
C6H5NO2 0.029137 0.00061841 0.72129 1,166.36
H2SO4 0.043585 0.043344 0.049433 1.14047
H2O 0.91857 0.95573 0.016631 0.017401
HNO3 0.00010487 0.00010429 0.00011894 1.14047
C6H6 0.0086051 0.00020300 0.21253 1,046.96
U-O-S BLOCK SECTION
BLOCK: DIST MODEL: DISTL
-----------------------------
INLET STREAM: ORGANIC
CONDENSER OUTLET: TOP
REBOILER OUTLET: BOTTOM
TOTAL BALANCE
MOLE(KMOL/SEC) 0.149140E-02 0.149140E-02 0.000000E+00
MASS(KG/SEC ) 0.164883 0.164883 0.338098E-08
ENTHALPY(WATT ) -34983.6 8548.66 -1.24436
*** INPUT DATA ***
THEORETICAL STAGES 26
FEED STAGE NO. FROM TOP 16
REFLUX RATIO 0.45000
TOP STAGE PRESSURE (N/SQM ) 101,325.
BOTTOM STAGE PRESSURE (N/SQM ) 101,325.
DISTILLATE TO FEED RATIO 0.20500
CONDENSER TYPE: TOTAL CONDENSER
*** RESULTS ***
FEED-QUALITY -0.31849
FEED STAGE TEMPERATURE (K ) 365.058
TOP STAGE TEMPERATURE (K ) 324.418
BOTTOM STAGE TEMPERATURE (K ) 478.860
CONDENSER COOLING REQUIRED (WATT ) 14,284.2
NET CONDENSER DUTY (WATT ) -14,284.2
REBOILER HEATING REQUIRED (WATT ) 57,816.5
NET REBOILER DUTY (WATT ) 57,816.5

BLOCK: MIXER MODEL: MIXER
-----------------------------
INLET STREAMS: HNO3 H2O H2SO4
OUTLET STREAM: MIXACID
U-O-S BLOCK SECTION
BLOCK: MIXER MODEL: MIXER (CONTINUED)
TOTAL BALANCE
MOLE(KMOL/SEC) 0.536596E-02 0.536596E-02 0.000000E+00
MASS(KG/SEC ) 0.277778 0.277778 -0.199840E-15
*** INPUT DATA ***
ONE PHASE FLASH SPECIFIED PHASE IS LIQUID

MAXIMUM NO. ITERATIONS 30
CONVERGENCE TOLERANCE 0.00010000
OUTLET PRESSURE N/SQM 101,325.
BLOCK: RSTO MODEL: RSTOIC
------------------------------
INLET STREAMS: C6H6 MIXACID
OUTLET STREAM: CNB
IN OUT GENERATION RELATIVE DIFF.
TOTAL BALANCE
MOLE(KMOL/SEC) 0.678839E-02 0.678839E-02 0.000000E+00 0.000000E+00
MASS(KG/SEC ) 0.388889 0.388889 0.000000E+00
*** INPUT DATA ***
SIMULTANEOUS REACTIONS
STOICHIOMETRY MATRIX:

REACTION # 1:
SUBSTREAM MIXED :
C6H5NO2 1.00 H2O 1.00 HNO3 -1.00 C6H6 -1.00
REACTION CONVERSION SPECS: NUMBER= 1
REACTION # 1:
SUBSTREAM:MIXED KEY COMP:C6H6 CONV FRAC: 0.7720
U-O-S BLOCK SECTION
BLOCK: RSTO MODEL: RSTOIC (CONTINUED)
ONE PHASE TP FLASH SPECIFIED PHASE IS LIQUID
SPECIFIED TEMPERATURE K 323.000
SPECIFIED PRESSURE N/SQM 101,325.
MAXIMUM NO. ITERATIONS 30
CONVERGENCE TOLERANCE 0.00010000

*** RESULTS ***
OUTLET TEMPERATURE K 323.00
OUTLET PRESSURE N/SQM 0.10132E+06
HEAT DUTY WATT -0.13983E+06
REACTION EXTENTS:
REACTION REACTION
NUMBER EXTENT
KMOL/SEC
1 0.10981E-02
STREAM SECTION
BOTTOM C6H6 CNB EXH2O H2O
-------------------------
STREAM ID BOTTOM C6H6 CNB EXH2O H2O
FROM : DIST ---- RSTO ---- ----
TO : ---- RSTO DECANTER DECANTER MIXER
SUBSTREAM: MIXED
PHASE: LIQUID LIQUID LIQUID LIQUID LIQUID
COMPONENTS: KMOL/SEC
C6H5NO2 1.0757-03 0.0 1.0981-03 0.0 0.0
H2SO4 7.3724-05 0.0 1.6427-03 0.0 0.0
H2O 3.1510-18 0.0 3.7193-03 3.0900-02 2.6212-03
HNO3 1.9992-11 0.0 3.9522-06 0.0 0.0
C6H6 3.6209-05 1.4224-03 3.2431-04 0.0 0.0
TOTAL FLOW:
KMOL/SEC 1.1857-03 1.4224-03 6.7884-03 3.0900-02 2.6212-03
KG/SEC 0.1424 0.1111 0.3888 0.5566 4.7222-02
CUM/SEC 1.4003-04 1.2713-04 3.2101-04 5.6022-04 4.7524-05
STATE VARIABLES:
TEMP K 478.8604 298.0000 323.0000 298.0000 298.0000
PRES N/SQM 1.0133+05 1.0133+05 1.0133+05 1.0133+05 1.0133+05
VFRAC 0.0 0.0 0.0 0.0 0.0
LFRAC 1.0000 1.0000 1.0000 1.0000 1.0000

SFRAC 0.0 0.0 0.0 0.0 0.0
ENTHALPY:
J/KMOL 2.7788+05 4.9107+07 -3.4075+08 -2.8569+08 -2.8569+08
J/KG 2312.1927 6.2866+05 -5.9481+06 -1.5858+07 -1.5858+07
WATT 329.4732 6.9851+04 -2.3132+06 -8.8279+06 -7.4887+05
ENTROPY:
J/KMOL-K -3.3127+05 -2.5267+05 -2.3857+05 -1.6272+05 -1.6272+05
J/KG-K -2756.4033 -3234.6200 -4164.5254 -9032.4484 -9032.4484
DENSITY:
KMOL/CUM 8.4673 11.1885 21.1467 55.1564 55.1564
KG/CUM 1017.6101 873.9777 1211.4430 993.6590 993.6590
AVG MW 120.1805 78.1136 57.2873 18.0152 18.0152
STREAM SECTION
H2SO4 HNO3 MIXACID ORGANIC SPA
------------------------------
STREAM ID H2SO4 HNO3 MIXACID ORGANIC SPA

FROM : ---- ---- MIXER DECANTER DECANTER
TO : MIXER MIXER RSTO DIST ----
SUBSTREAM: MIXED
PHASE: LIQUID LIQUID LIQUID LIQUID LIQUID
C6H5NO2 0.0 0.0 0.0 1.0757-03 2.2385-05
H2SO4 1.6427-03 0.0 1.6427-03 7.3724-05 1.5689-03
H2O 0.0 0.0 2.6212-03 2.4803-05 3.4595-02
HNO3 0.0 1.1021-03 1.1021-03 1.7738-07 3.7748-06
C6H6 0.0 0.0 0.0 3.1697-04 7.3479-06
TOTAL FLOW:
KMOL/SEC 1.6427-03 1.1021-03 5.3660-03 1.4914-03 3.6197-02
KG/SEC 0.1611 6.9444-02 0.2777 0.1648 0.7806
CUM/SEC 8.8976-05 4.5735-05 2.0328-04 1.4334-04 7.5076-04
STATE VARIABLES:
TEMP K 298.0000 298.0000 298.0000 298.0000 298.0000
PRES N/SQM 1.0133+05 1.0133+05 1.0133+05 1.0133+05 1.0133+05
VFRAC 0.0 0.0 0.0 0.0 0.0
LFRAC 1.0000 1.0000 1.0000 1.0000 1.0000
SFRAC 0.0 0.0 0.0 0.0 0.0
ENTHALPY:
J/KMOL -7.9337+08 -1.7338+08 -4.1804+08 -2.3457+07 -3.0743+08
J/KG -8.0891+06 -2.7516+06 -8.0755+06 -2.1217+05 -1.4254+07
WATT -1.3032+06 -1.9108+05 -2.2432+06 -3.4984+04 -1.1128+07
ENTROPY:
J/KMOL-K -3.3300+05 -3.1260+05 -2.3701+05 -3.7927+05 -1.6879+05
J/KG-K -3395.2154 -4960.9513 -4578.3531 -3430.5411 -7826.0507
DENSITY:
KMOL/CUM 18.4618 24.0968 26.3970 10.4047 48.2138
KG/CUM 1810.7264 1518.4146 1366.4855 1150.2998 1039.8510
AVG MW 98.0794 63.0128 51.7666 110.5555 21.5674
STREAM SECTION
TOP
---
STREAM ID TOP
FROM : DIST
TO : ----
SUBSTREAM: MIXED
PHASE: LIQUID
C6H5NO2 0.0
H2SO4 0.0
H2O 2.4803-05
HNO3 1.7736-07
C6H6 2.8076-04
TOTAL FLOW:
KMOL/SEC 3.0574-04
KG/SEC 2.2389-02
CUM/SEC 2.6121-05
STATE VARIABLES:
TEMP K 324.4181
PRES N/SQM 1.0133+05
VFRAC 0.0
LFRAC 1.0000
SFRAC 0.0
ENTHALPY:
J/KMOL 2.6883+07
J/KG 3.6711+05
WATT 8219.1914
ENTROPY:
J/KMOL-K -2.3016+05
J/KG-K -3142.9623
DENSITY:
KMOL/CUM 11.7048
KG/CUM 857.1411
AVG MW 73.2293
PROBLEM STATUS SECTION
BLOCK STATUS
------------
***************************************************************************
*
* *
* Calculations were completed normally *
* *
* All Unit Operation blocks were completed normally *
* *
* All streams were flashed normally *
* *
***********************************************************

Simulation of Manufacturing Process of Nitrobenzene PDF

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DESIGN & SIMULATION OF NITROBENZENE MANUFACTURING PROCESS

SR.NO. CONTENTS PAGE NO.

Design Of Distillation Column

Simulation Using Aspen

FAMT ,Ratnagiri Page 1

FIGURE FIGURE NAME PAGE NO.

1 2.1 Manufacturing Process Of Nitrobenzene 11

2 4.1 Rectification section 27

3 4.2 Stripping Section 28

5 5.2 Title Page 35

6 5.3 Component Entry 36

7 5.4 Selection Of Property Method 37

10 5.7 Reaction Input 40

13 5.10 Result Summary 43

14 5.11 Strem Result Over Mixer 44

15 5.12 Strem Result Over Reactor 45

16 5.13 Strem Result Over Decanter 46

17 5.14 Strem Result Over Distilation Column 47

FAMT ,Ratnagiri Page 2

TABLE NO. TABLE NAME PAGE NO

1 2.1 Properties Of Benzene 11

2 2.2 Propetries Of Suphuric Acid 12

3 2.3 Properties Of Nitric Acid 13

4 2.4 Properties Of Nitrobenzene 14

5 2.5 Enthalpy Data At Standard State 16

6 2.5 Entropy Data At Standard State 16

7 2.5 Specific Heat Data At Standard State 17

8 5.1 Stream Result Overall 48

9 6.1 Material Balance Over Reactor 50

10 6.2 Material Balance Over Decanter 50

11 6.3 Material Balance Over Distillation Column 51

12 6.4 Overall Material Balance 52

FAMT ,Ratnagiri Page 3

FAMT ,Ratnagiri Page 4

FAMT ,Ratnagiri Page 5

2.1. Process For Production Of Nitrobenzene

FAMT ,Ratnagiri Page 6

2.1 PROCESS FOR PRODUCTION OF NITROBENZENE

Nitrobenzene is manufactured by nitration of benzene using mixture of Nitric and sulphuric

Nitration can be done by two processes. Via.

[1] Batch Process.

[2] Continuous process.

2.1.1 BATCH PROCESS

FAMT ,Ratnagiri Page 7

2.1.2 CONTINUOUS PROCESS

A continuous process for the production of nitrobenzene has been developed by M /

2.2 SELECTION OF PROCESS

[1] Lower Capital Cost.

[3] Labour Usage.

2.2.1 LOWER CAPITAL COST

Because of relatively small size of continuous process equipment, there is less

In the continuous process, only as much material need be present in hazardous

2.2.3 LABOUR USAGE

2.3 MANUFACTURING PROCESS OF NITROBENZENE

Nitrobenzene is manufactured commercially by direct nitration of benzene using a

FAMT ,Ratnagiri Page 9

Benzene used is of commercial quality. Mixed acid contain of 56 – 60 wt % H2SO4, 20 – 26

FAMT ,Ratnagiri Page 10

Fig No-2.1 Manufacturing Process Of Nitrobenzene

2.4.1 PROPERTIES OF BENZENE

Molecular Weight 78.11

Melting Point, °C 5-533

Boiling Point, °C 80.1