Production of Phthalic Anhydride From O-Xylene

King Fahd Unvesity of Petroleum and Minerals
College of engineering sciences and applied engineering
Department of Chemical Engineering
CHE 495: Integrated Design Course
Final Report
Production of Phthalic Anhydride

from O-Xylene
Prepared by:
Group: 2
1. Hassan Al-Haraz 200969070
2. M.Al-Abdrabalnabi 200971250
3. Mohammad Al-Bakshi 200986590
4. Aqeel Al-Brahim 200985730
5. Mujtaba Al-Nasser 200964010
Submitted to:
Dr. Reyad Shawabkeh
May 18th, 2014

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Contents
LITERATURE REVIEW ........................................................................................................................................................... 8
1. SUMMARY OF THE PROJECT.................................................................................................................................... 9
2. PROBLEM INFORMATION ...................................................................................................................................... 10
3. PHYSICAL & CHEMICAL PROPERITIES .................................................................................................................... 12
4. INITIAL BLOCK DIAGRAM OF THE PROCESS........................................................................................................... 13
5. LITERATURE REVIEW OF PRODUCTION PROCESS.................................................................................................. 14
6. KINETIC DATA FOR THE PROBLEM............................................................................................................................. 15
7. SAFETY & ENVIRONMENT PRECAUTIONS ................................................................................................................. 16
8. PRELIMINARY COSTS OF MATERIALS......................................................................................................................... 19
MASS AND ENERGY BALANCES ......................................................................................................................................... 20
1. MASS BALANCE: .................................................................................................................................................... 21
A. Material Balance around the mixing point:....................................................................................................... 22
B. Material Balance around the Reactor: .............................................................................................................. 22
C. Material Balance around the Switch Condenser: .................................................................................................. 25
D. Material Balance around the First Distillation Column: ........................................................................................ 25
E. Material Balance around the Second Distillation Column: .................................................................................. 26
2. ENERGY BALANCE: ................................................................................................................................................. 28
A. Energy Balance around the reactor:................................................................................................................. 33
B. Energy Balance around Heat Exchangers and Heater: .............................................................................................. 36
C. Energy balance around mixing points : ............................................................................................................. 37
D. Energy balance around Pumps and compressor: .............................................................................................. 39
E. Energy balance for first distillation column -701 .............................................................................................. 42
PROCESS SIMULATION ...................................................................................................................................................... 48
1. INTRODUCTION ..................................................................................................................................................... 49
2. PROCESS VALIDATION ........................................................................................................................................... 49
A. Flow Rate Spreadsheets .................................................................................................................................... 50
B. Energy Spreadsheets ......................................................................................................................................... 56
C. Discussion of Mass Balance: .................................................................................................................................. 57
D. Discussion of Energy Balance: ............................................................................................................................... 57
3. PROCESS SIMULATION .............................................................................................................................................. 58
4. ALTERNATIVE PROCESS ............................................................................................................................................. 62
EQUIPMENT SIZING ........................................................................................................................................................... 68
1. REACTOR DESIGN .................................................................................................................................................. 69
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A. REACTOR DESIGN EQUATIONS .......................................................................................................................... 69
B. MOLE BALANCE ................................................................................................................................................. 70
C. NET RATE LAWS ................................................................................................................................................. 71
D. RATE LAWS ........................................................................................................................................................ 71
E. STOICHIOMETRY ................................................................................................................................................ 73
F. COMBINATION .................................................................................................................................................. 74
G. PRESSURE DROP ................................................................................................................................................ 76
H. ENERGY BALANCES ............................................................................................................................................ 77
I. Catalyst information .......................................................................................................................................... 79
J. Calculation and Results ..................................................................................................................................... 79
K. Reactor Instrumentation and Control ............................................................................................................... 96
L. Conclusion ......................................................................................................................................................... 98
K. HAZOP ANALYSIS ................................................................................................................................................... 99
2. Distillation column (T-701) .................................................................................................................................. 100
I. INTRODUCTION ................................................................................................................................................... 100
II. PRELIMINARY CALCULATIONS ............................................................................................................................. 100
A. Material Balance.............................................................................................................................................. 100
B. Physical Properties .......................................................................................................................................... 102
C. Relative Volatilities .......................................................................................................................................... 103
III. Minimum Reflux .............................................................................................................................................. 104
IV. Column Diameter ........................................................................................................................................ 106
V. TRAY SPECIFICATIONS ......................................................................................................................................... 107
VI. TRAY LAYOUT AND HYDROULICS (TOP)........................................................................................................... 110
VII. TRAY LAYOUT AND HYDROULICS (BOTTOM) .................................................................................................. 117
VIII. DESIGN FLOWSHEET ........................................................................................................................................ 119
IX. Design Simulation ............................................................................................................................................ 121
X. DESIGN OF CONDENSER ...................................................................................................................................... 122
XI. DESIGN OF VESSEL ........................................................................................................................................... 128
XII. Control System ................................................................................................................................................ 129
XIII. HAZOP ANALYSIS ............................................................................................................................................. 129
3. Distillation unit (T-702)........................................................................................................................................ 131
I. INTRODUCTION ............................................................................................................................................... 131
II. PRELIMINARY CALCULATIONS ......................................................................................................................... 131
III. MINIMUM REFLUX ...................................................................................................................................... 135
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IV. COLUMN DIAMETER .................................................................................................................................... 136
V. TRAY SPECIFICATIONS ..................................................................................................................................... 138
VI. TRAY LAYOUT AND HYDROULICS (TOP)....................................................................................................... 140
VII. TRAY LAYOUT AND HYDROULICS VII. TRAY LAYOUT AND HYDROULICS (BOTTOM) ................................... 146
VIII. DESIGN FLOWSHEET .................................................................................................................................... 148
IX. DESIGN SIMULATION ................................................................................................................................... 150
X. DESIGN OF CONDENSER .................................................................................................................................. 151
XI. DESIGN OF VESSEL ....................................................................................................................................... 158
XII. Control System ............................................................................................................................................ 158
XIII. HAZOP ANALYSIS ............................................................................................................................................. 159
I. Introduction......................................................................................................................................................... 160
A. Sample Calculation .......................................................................................................................................... 161
B. Summary of results.............................................................................................................................................. 169
Exchanger E-701A .................................................................................................................................................... 169
Exchanger E-701B .................................................................................................................................................... 171
Exchanger E-702 ...................................................................................................................................................... 173
Exchanger E-703A .................................................................................................................................................... 175
Exchanger E-703B .................................................................................................................................................... 176
II. Summery ............................................................................................................................................................. 178
III. HAZOP ANALYSIS ......................................................................................................................................... 179
4. PIPING DESIGN .................................................................................................................................................... 180
1. INTRODUCTION ................................................................................................................................................... 180
A. PUMPS AND COMPRESSOR ............................................................................................................................. 180
- Design of the pump (P-701) ...................................................................................................................................... 180
- Design of the compressor ( C-701) ........................................................................................................................... 181
Summary for pump and compressor design calculation ......................................................................................... 182
B. PIPES DESIGN ................................................................................................................................................... 182
Theory for Piping Design ............................................................................................................................................ 183
Theory of the Pressure Drop ....................................................................................................................................... 184
C. CALCULATION .................................................................................................................................................. 185
- Sample calculation was performed for stream number (1) .................................................................................. 186
- Calculation for the pressure drop stream number 1 ............................................................................................. 188
D. HEAT INTEGRATION......................................................................................................................................... 191
E. PLANT LAY OUT ............................................................................................................................................... 197
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2. SUMMARY ........................................................................................................................................................... 200
3. HAZOP ANALYSIS ............................................................................................................................................. 201
ECONOMIC ANALYSIS ...................................................................................................................................................... 202
1. INTRODUCTION ................................................................................................................................................... 203
A. OPERATING LABOR COST ................................................................................................................................ 203
B. SAMPLE CALCULATION FOR EQUIPMENTS ..................................................................................................... 204
Distillation column 701 :(vessel+trays) ...................................................................................................................... 204
- Vessel : ............................................................................................................................................................ 204
- Trays: ............................................................................................................................................................... 204
- Pump 701: ........................................................................................................................................................... 205
- Compressor 701................................................................................................................................................... 205
- Heat exchanger 701 A ......................................................................................................................................... 205
- Vessel 101: ...................................................................................................................................................... 205
- Vessel 701: ...................................................................................................................................................... 206
C. ECONOMICAL ASSESSMENT ............................................................................................................................ 206
D. DECISION FOR CONSTRUCTION ....................................................................................................................... 214
CONCLUSION ................................................................................................................................................................... 216
List of Tables
Table 1: Reactions in the process and their types.............................................................................................................. 11
Table 2: Physical & chemical properities:......................................................................................................................... 12
Table 3: Some characteristics of Phthalic anhydride: ....................................................................................................... 16
Table 4: Some characteristics of o-xylene......................................................................................................................... 17
Table 5: Some characteristics of maleic anhydride ........................................................................................................... 18
Table 6: Cost of materials used and produced in the process ...................................................................................... 19
Table 7: Streams information ......................................................................................................................................... 28
Table 8: Mass balance before scaling (kmol/hr) ........................................................................................................... 29
Table 9: Mass balance before scaling (kg/hr) ............................................................................................................... 30
Table 10: Mass balance after scaling ............................................................................................................................. 31
Table 11: Mass balance after scaling .............................................................................................................................. 32
Table 12: Enthalpy table ................................................................................................................................................. 33
Table 13: Enthalpy table ................................................................................................................................................. 35
Table 14: Constant for calculating heat capacity........................................................................................................... 37
Table 15: Constants for calculating heat capacity ......................................................................................................... 42
Table 16: Antoine equation constants ........................................................................................................................... 43
Table 17: Heat Vaporization ........................................................................................................................................... 43
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Table 18: Flow Rate Spreadsheets................................................................................................................................. 50
Table 19: Energy Spreadsheets: ..................................................................................................................................... 56
Table 20: Type of the catalyst and its characteristics. .................................................................................................. 79
Table 21: Tube Specifications ......................................................................................................................................... 81
Table 22: Values of K1 and n1 for both types of pitch at different number of passes................................................ 87
Table 23: Calculated values of DEQ variables.................................................................................................................. 89
Table 24: Schematic diagram of a packed bed reactor. .................................................................................................... 94
Table 25:Equipment Summary .......................................................................................................................................... 97
Table 26: HAZOP ANALYSIS for Rector .............................................................................................................................. 99
Table 27: stream tables ................................................................................................................................................... 102
Table 28: Design Flowsheet ............................................................................................................................................ 120
Table 29:values of the calculated design and simulated design parameters ................................................................. 122
-Table 30: HAZOP ANALYSIS ............................................................................................................................................ 130
Table 31:streams for T-702 ............................................................................................................................................. 133
Table 32:Tray Dimensions ............................................................................................................................................... 146
Table 33:DESIGN FLOWSHEET ......................................................................................................................................... 148
Table 34:HAZOP ANALYSIS .............................................................................................................................................. 159
Table 35:Summary of results for E-701 ........................................................................................................................... 169
Table 36:Summary of results for E-701B ......................................................................................................................... 171
Table 37: Summary of results for E-702 .......................................................................................................................... 173
Table 38: Summary of results for E-703A........................................................................................................................ 175
Table 39:Summary of results for E-703B ......................................................................................................................... 176
Table 40:HAZOP ANALYSIS .............................................................................................................................................. 179
Table 41:Pump and compressor...................................................................................................................................... 182
Table 42:pipe diameter results ....................................................................................................................................... 187
Table 43: Pressures drop design resutles ........................................................................................................................ 189
Table 44:input Data ......................................................................................................................................................... 191
Table 45:Temperature Interval ....................................................................................................................................... 192
Table 46:HAZOP ANALYSI ................................................................................................................................................ 201
Table 47:Cost Analysis ..................................................................................................................................................... 207
Table 48: Economic option .............................................................................................................................................. 210
Table 49: cash flow diagram ........................................................................................................................................... 211
Table 50:Cash Flow Analysis ............................................................................................................................................ 211
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List of Figures
Figure 1: Initial Block Diagram of the Process ................................................................................................................... 13
Figure 2: O-xylene capacity by region worldwide ............................................................................................................. 14
Figure 3: Process Simulation ............................................................................................................................................. 58
Figure 4: Stream Information ............................................................................................................................................ 59
Figure 5: Streams Compositions ........................................................................................................................................ 60
Figure 6: Streams Compositions ........................................................................................................................................ 61
Figure 7: Energy Stream information ................................................................................................................................ 61
Figure 8: Alternative Process ............................................................................................................................................. 62
Figure 9: Materials Streams (Alternative process) ............................................................................................................ 63
Figure 10: Streams Compositions (Alternative process) ................................................................................................... 65
Figure 11: Energy Stream (Alternative process) ................................................................................................................ 66
Figure 12: Flow arrangement in counter-current tube heat exchangers.......................................................................... 80
Figure 13: Reactor volume vs. conversion. ....................................................................................................................... 83
Figure 14: Conversion profile. ........................................................................................................................................... 83
Figure 15: Temperature profile. ........................................................................................................................................ 84
Figure 16: Pressure profile. ............................................................................................................................................... 84
Figure 17: concentration profile........................................................................................................................................ 85
Figure 18: Cross-sectional view of a tube.......................................................................................................................... 86
Figure 19: Shell-bundle clearance. ................................................................................................................................. 88
Figure 20: Final Layout of the Reactor .............................................................................................................................. 95
Figure 21: The packed bed reactor temperature control loop. ........................................................................................ 96
Figure 22:volatility of the key componentsVs. viscosity of feed ..................................................................................... 109
Figure 23: Vs. L\G.......................................................................................................................................................... 111
Figure 24:Weir Correction Factor .................................................................................................................................... 114
Figure 25:Design Schematics ........................................................................................................................................... 116
Figure 26: Design Schematics 2 ....................................................................................................................................... 117
Figure 27:DESIGN SIMULATION....................................................................................................................................... 122
Figure 28: control loop for the distillation column ......................................................................................................... 129
Figure 29:design simulation ............................................................................................................................................ 150
Figure 30:control loop was suggested for the tower (T-702) ......................................................................................... 158
Figure 31: cascade table .................................................................................................................................................. 193
Figure 32 :compostie curve ............................................................................................................................................. 194
Figure 33:Grand curve ..................................................................................................................................................... 195
Figure 34:shifted composite curve .................................................................................................................................. 195
Figure 35:Grid Curve........................................................................................................................................................ 196
Figure 36 : Factory Area .................................................................................................................................................. 199
Figure 37: plant layout .................................................................................................................................................... 200
Figure 38:Equipment Summary ....................................................................................................................................... 208
Figure 39:Equipment Summary ....................................................................................................................................... 209
Figure 40:cost of raw materials ....................................................................................................................................... 209
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LITERATURE
REVIEW
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1. SUMMARY OF THE PROJECT
The goal of this project is to accomplish a full study of a plant that produces Phthalic
Anhydride ( ) with a production capacity of 100,000 tons annually through process
synthesizing as well as process simulation. All process units of the plant design, process flow
diagrams, cost estimations, operation parameters, equipment sizing, construction
materials and environment/safety precautions should be considered. The project
requires good skills and information in some of the major courses such as material &
energy balances, fluid Mechanics, unit operation, reaction kinetic and process control.
The required tasks are the followings:
1- Mass balance. 2- Energy balance. 3- Hysys simulation of the Process.

4- Design of (reactor, heat exchangers, distillation column, pipes and vessels).
5- Optimization. 6- Economic analysis. 7- Hazard analysis.
Phthalic Anhydride ( ) is obtained from oxidation of o-xylene or naphthalene in

presence of a catalyst usually a vanadium/titanium pentoxide. It can be used as
phthalate plasticizers and alkyd resins for surface coatings while its smaller volume
applications include pigments, dyes, sweeteners and flame retardants.
In this project, Phthalic Anhydride would be produced through a catalytic oxidation

reaction involving o-xylene and oxygen from air according to the following reactions:
(1)
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The vanadium pentoxide catalyst is supported mainly with ceramics or silicon carbide. It
has a surface area in an order of 10 Low surface area is preferred because it minimize
diffusional effect which would increase the residence time. It has a life time of 1 second.
The reaction is highly exothermic with a conversion of 63 % in the first reaction, 7% in

the second reaction and 5 % in the third reaction. The process contains some major units
such as reactor with a cooling system, distillation columns, vessels, fired heater as well
as flash drums. Also it includes pumps, compressors and heat exchangers. They should
be designed and run based on the production capacity.
2. PROBLEM INFORMATION
Phthalic anhydride would be produced in industry from o-xylene and air in the
presence of a catalyst (vanadium oxide V2O5) supported on a ceramic and silicon
carbide. The first exothermic reaction produces about 100,000 ton annually with a
63% conversion. The rest side reactions produced undesirable products and waste
such as maleic anhydrides (C4H2O3) with a 5% conversion and carbon dioxide
(CO2) with a 7% conversion. Table 1 shows all reactions included in the process
and the type.
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Table 1: Reactions in the process and their types
# Reaction Type
1 Main reaction
Side reactions
4
Mixture of o-xylene as well as air is fed to the heater for vaporization. A fixed bed reactor
running at a range between 1-3 bar and 300-400 oC would receive the mixture. Since the
reaction is highly exothermic (-265 kcal/mole), the reacting gas should be cooled to prevent
temperature increasing. Heat exchanger is used to cool the outlet and sent to two consecutive
flash drums in which the first flash drum operates at a low temperature of 5 oC and 1 bar while
the second drum at 103 oC and 1.1 bar. Top outlet stream has light gases and little quantity of
both o-xylene and water which can be sent to the treatment unit while a large amount of
phthalic anhydride, o-xylene and water come in the bottom stream .After that, the stream is
sent to the first distillation column which separate phthalic anhydride from other products.
Then, the mixtures of products are sent to second column of separation unit for the malic
anhydride. Finally, a third distillation is used to separate water from o-xylene for recycling.
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3. PHYSICAL & CHEMICAL PROPERITIES
Table 2: Physical & chemical properties:
M.W. Boiling Melting Hv

Material Formula
(g/mol) Point (oC) Point (oC) (KJ/mol)
O-xylene C8H10 106.17 144.4 -24 36.24
Phthalic Acid C8H6O4 166.13 --- 210 ---
Phthalic Anhydride C8H6O3 148.12 284 131 - 134 52.1
Maleic Anhydride C4H2O3 98.06 202 52.8 49.1
Vanadium Pentoxide V2O5 181.88 1750 670 ---
Water H2O 18.02 100 0 40.66
Air --- 28.85 -194.5 --- ---
Nitrogen N2 28 -195.80 -210 5.57
Oxygen O2 32 -182.96 -218.79 6.82
Hydrogen H2 2.02 -252.7 --- 0.90
Carbon Monoxide CO 28.01 -191.5 -205.02 6
Carbon Dioxide CO2 44.01 -56.6 -78.5 16.4
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4. INITIAL BLOCK DIAGRAM OF THE PROCESS
Figure 1: Initial Block Diagram of the Process

Treatm
ent
1-3 bar
D = Distillation column
WT = waste treatment
MA = Maleic anhydride
PA =Phthalic anhydride
X=conversion
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5. LITERATURE REVIEW OF PRODUCTION PROCESS
Phthalic anhydride was first reported in 1836 by Auguste Laurent. For many years,
naphthalene was the feedstock for Phthalic anhydride production. After World War II, Ornate
Company commercialized production of Phthalic anhydride using orth-xylene. It is obtained
by catalytic oxidation of orth-xylene or naphthalene:
C10H8 + 4.5O2 C6H4(CO)2O + 2H2O + 2CO2

C6H4(CH3)2 + 3O2 C6H4(CO)2O + 3H2O
The used catalyst is a modified vanadium pentoxide (V2O5). When separating the phthalic
anhydride from byproducts such as o-xylene in water, or maleic anhydride, a series of
condensers (switch condensers) is required. Global demand for Phthalic anhydride as well as
supply from Tecnon OrbiChem is shown in Figure 2. It demonstrates a gradual increase in
both supply and demand during the period 2009-2019. Figure 1 displays the O-xylene
Figure 2: O-xylene capacity by region worldwide
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capacity by region worldwide. It can be noticed that in 2014, China & Northeast Asia are the
largest producers of O-xylene in the world. World consumption is predicted to grow at an
average annual rate of almost 3.5% during 20112016 but will vary greatly by region.
Alternative Processes:
There are three possible feeds in order to produce a Phthalic anhydride: o-xylene;
naphthalene; or n-pentane. O-xylene & naphthalene were discussed earlier. The n-pentane
process is the most recent development but requires a cheap supply of raw material in order to
be a viable option. The chief factors influencing the choice of feed stock are the yield,
availability and cost. Economically, both naphthalene and n-pentane can be used for Phthalic
anhydride production but both are expensive and they must be supplied at prices very below
market value to be viable alternatives. However, Ortho-xylene is clearly the preferred raw
material as proven to be cheaper, higher yielding and more selective.
6. KINETIC DATA FOR THE PROBLEM

- Kinetic information for the main reaction of Xylene oxidation to form Phthalic
anhydride
C8 H 10 3O2 C8 H 4 O3 3H 2 O
(1)
o xylene phthalic anhydride
The rate expression is:
r1 k1 pxy po2
Where p is a partial pressure in atm, and the suffix xy refers to o-Xylene.
k1 27,000
The constant is defined as: ln 19.837
k0 RT
(given that k0 = 1 kmole hr-1(kg catalyst)-1atm-2, R = 1.987 cal/K mole, and T is in K)
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- Kinetic information for the second reaction which is the formation of by-product MA
(maleic anhydride)
C8 H10 7.5O2 C4 H 2O3 4 H 2O 4CO2 (2)
maleic anhydride
k2 27,900
The rate expression is: r2 k2 pxy po2 Where ln 19.23
k0 RT
- Kinetic information for the third reaction which represents the summery of the
complete and incomplete combustions of o-xylene:
o xylene CO2 (3)
The rate expression is: r3 k3 pxy po2
k3 28,600
Where ln 18.97
k0 RT
7. SAFETY & ENVIRONMENT PRECAUTIONS

- Phthalic anhydride:
Table 3: Some characteristics of Phthalic anhydride:

Lower explosion limit 1.70 volume %
Upper explosion limit 10.50 volume %
Flash point 152 oC
Auto-ignition temperature 580 oC
Lower flammable limit 1.2 %
Upper flammable limit 9.2 %
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Precautions:
Keep container dry & locked up. Keep phthalic anhydride away from heat. Keep it away from
any source of ignition. Empty containers pose afire risk and evaporate the residue under a
fume hood. Ground all equipment containing material. Do not breathe dust. Do not add water
to this product. Wear suitable respiratory equipment just in case of insufficient ventilation. If
ingested, you have to seek for medical advice immediately and show the container or the
label. Avoid contact with skin and eyes. Stay away from incompatibles such as oxidizing
agents.
Exposure:
Phthalic anhydride is harmful if swallowed. It`s toxicity is low if aerosol is inhaled. In
presence of moisture, possible burns, causes serious eye damage: eye irritation damage to
conjunctiva and cornea. Dust may be irritating to the respiratory tract. Also, it may cause
asthma or allergic skin reactions.
Storage:
Do not store it above 25C. Keep container tightly closed, cool and well-ventilated area.
Reactivity:
Phthalic anhydride is Reactive with oxidizing agents. It is slightly reactive with moisture &
incompatible with nitric acid (HNO3), Sodium nitrite (NaNO2) and copper oxide (Cu2O).
- O-xylene:
Table 4: Some characteristics of o-xylene

Flash point` 17.22 oC
Autoignition Temperature 465 oC
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Exposure:
O-xylene would irritate the respiratory tract, skin, eye and leads to central nervous system
depression. Its Vapor may cause flash fire. The health effects may include low body
temperature, lung congestion, nausea, visual disturbances, vomiting, ringing in the ears, coma,
liver damage and kidney damage.
Storage:
Store o-xylene outside or in a separated building. Keep it separated from incompatible
substances. Keep it separated from incompatible substances. It should be protected from
physical damage.
Reactivity:
O-xylene is stable at normal temperature and pressure. Avoid heat, flames, sparks and other
sources of ignition. Explosion may occur if Containers exposed to heat. Keep it out of water
supplies and sewers.
- Maleic anhydride:
Table 5: Some characteristics of maleic anhydride

Flash point 103.33 oC
Auto-ignition Temperature 465 oC
Precautions:
Keep container dry & away from heat. Keep maleic anhydride away from sources of ignition.
Empty containers pose a fire risk. Evaporate the residue under a fume hood. Ground all
equipment containing material. Do not breathe dust. Do not add water to this product. Wear
appropriate protective clothing. In case of insufficient ventilation, wear suitable respiratory
equipment. If ingested, seek medical advice immediately and show the container or the label.
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Avoid contact with skin and eyes. Keep away from incompatibles such as oxidizing agents,
reducing agents, acids, moisture.
Exposure:
Maleic anhydride is very hazardous in case of ingestion. It irritates the skin and eye when
exposing to maleic anhydride. Corrosive to eyes and skin. The amount of tissue damage relies
on the length of contact. Eye contact could leads to blindness or corneal damage. Skin contact
can create inflammation and blistering. Inhalation of dust shall produce irritation to gastro-
intestinal or respiratory tract characterized by burning, sneezing and coughing. Severe over
exposure can make lung damage, choking, unconsciousness or even death.
Storage:
Keep container dry and cold. Ground all equipment containing material. Corrosive materials
should be stored in a separate safety storage cabinet or room.
Reactivity:
Maleic anhydride is reactive with oxidizing agents, reducing agents, acids & moisture. It is
slightly reactive with metals and alkalis. It might decompose when exposing it to moist air or
water.
8. PRELIMINARY COSTS OF MATERIALS

Table 6 shows an approximate cost in 2012 for the plant materials used or produced in
the process:-
Table 6: Cost of materials used and produced in the process
Materials PELEMINIARY COST

O-Xylene 1000-2000 $/ Metric Tons
Phthalic anhydride 1500-2000 $/ Metric Tons
Maleic anhydride 1460-1800 $/ Metric Tons
Deionized water 10 cents / gallon
Vanadium pentoxide 16.5-17 $/ Kilogram
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MASS AND ENERGY
BALANCES
This detailed part presents the mass as well as energy balances for the projects plant in
which producing phthalic anhydride from o-xylene. The deep analysis and calculations
were done manually. All process streams and unit operation were considered in this
chapter. These calculations are based upon the teams previous and current Chemical
Engineering courses and knowledge. All required parameters from the problem
statement including; conversion, temperature, pressure and production capacity were
used in the mass and energy balances
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1. MASS BALANCE:
The basis of calculation is 100 kmol/hr of o-xylene.
Definitions of all abbreviations used in our calculations:
PA : phthalic anhydride
MA: maleic anhydride
xy: o-xylene
O2: oxygen
N2: nitrogen
H2O: water
CO2 : carbon dioxide
Information provided in the statement problem:

Conversion 1st reaction: 63%.
Conversion 2nd reaction: 5%.
Conversion 3rd reaction: 7%.
Production of phthalic anhydride required = 100000 ton per year
Explosion limit of o-xylene: (<1%) & (>6).
The temperature of the reactor 300-400 oC.
The pressure of the reactor 1-3 bar.
The inlet pressure of the Switch Condensers (SC) 1.7-2 bar.
The inlet temperature of the Switch Condensers (SC) <180 C
The composition of the bottom of first distillation xPA = 0.999, xMA = 0.001.
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- Calculating the amount of fresh feed of o-xylene:
Overall mass balance:
Drecycled + nf = n1
Component mass balance:
(Drecycled * 1) + (nf * 1) = (n1 * 1)
nf = 100- 25.05 =74.95 kmol /hr
A. Material Balance around the mixing point:

100kmol/hr o-xylene
Mixing xxy = 0.065

Point xO2 = 0.196
302.08 kmol/hr O2
xN2 = 0.739
1136.38 kmol/hr N2
1538.46kmol/hr
B. Material Balance around the Reactor:
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n1 kmol/hr C8H10
123.63 kmol/hr xylene
n2 kmol/hr O2
373.46 kmol/hr O2
1404.91 kmol/hr N2 n3 kmol/hr C8H4O3
Reactor
n4 kmol/hr H20
n5 kmol/hr C4H2O3
n6 kmol/hr CO2
n7 kmol/hr N2
T=380 0C , P=1.8
Degree of fredoom: bar
Number of unknowns = 7 ( n1, n2, n3, n4, n5, n6, n7)
Number of atomic species = 3 (O2, H2, C)
Number of independent species = 1 (N2)
Number of specifications = 3
1- Unreacted o-xylene = 25%
2- Conversion of phthalic anhydride = 63%
3- Conversion of maleic anhydride = 5%.
- Extent of reaction method:
n1 = 100 1 2 3
n2 = 302.08 - 31 7.52 10.53
n3 = 1
n4 = 31 + 42 + 53
n5 = 2
23 | P a g e
n6 = 42 + 83
n7 = 1136.38
n1 = 100 1 2 3 n1 = 100 63 5 7 = 25 kmol/hr C8H10
n2 = 302.08 - 31 7.52 10.53 n2 = 302.08 (3*63) (7.5*5) (10.5*7) = 2.08

kmol/hr O2
n3 = 1 n3 = 63 kmol/hr C8H4O3
n4 = 31 + 42 + 53n4 = (3*63) + (4*5) + (5*7) = 244 kmol/hr H2O
n5 = 2 n5 = 5 kmol/hr C4H2O3
n6 = 42 + 83 n6 = (4*5) + (8*7) = 76 kmol/hr Co2
n7 = 1136.38 kmol/hr N2
24 | P a g e
C. Material Balance around the Switch Condenser:
1458.46kmol/hr
xO2 = 1.427 x 10-3
xN2 = 0.779
xCO2 = 0.0521
xH2O = 0.167
1551.46kmol/hr
Switch
xO2 = 1.341x 10-3 Condenser
xN2 = 0.732
xCO2 = 0.0490
xH2O = 0.157
xPA = 0.0406
xMA = 3.223 x 10-3
xxy = 0.0161
93kmol/hr
xPA = 0.677
xMA = 0.0538
xxy = 0.269
D. Material Balance around the First Distillation Column:

Assumptions:
1- Light key component is o-xylene.
2- Heavy component key is phthalic anhydride.
3- Non-heavy key component is maleic anhydride.
4- Constant molar of flow (CMO)
5- The purity of phthalic anhydride at bottom is 99.9%.
6- The recovery of phthalic anhydride at bottom is 99%.
25 | P a g e
D = 30.61 kmol/hr
Distillation xPA = 0.0207
F = 93 kmol/hr Column xMA = 0.161
xxy = 0.817
zPA = 0.677
zMA = 0.0538
zxy = 0.269
B = 62.39 kmol/hr
xPA = 0.999
xMA = 0.001
xxy = 0
By solving equation (1):
E. Material Balance around the Second Distillation Column:

Assumptions:
1- The recovery of phthalic anhydride at bottom is 100%.

26 | P a g e
2- The recovery of maleic anhydride at bottom is 99%.
3- The recovery of o-xylene at bottom is 0%.
D = 25.05 kmol/hr
xPA = 0.000005
F = 30.61kmol/hr xMA = 0.00019
Distillation
xxy = 0.998
Column
zPA = 0.0207
zMA = 0.161 B = 5.557 kmol/hr
zxy = 0.817 xPA = 0.114
xMA = 0.886
xxy = 0
By summation of equations (1,2 and 3):
27 | P a g e
2. ENERGY BALANCE:
Energy balance generally relies on calculating the heat capacity of each component present on
the system. The following table serves as reference to the upcoming calculations of the plants
energy balance:
Table 7: Streams information

stream number 1 2 3 4 5 6 7 8 9 10
T (c) 25 84.74 25 84.74 32.5 240 80 300 380 170
P(bar 1 1 1 2 2 2 2 2 1.8 1.8
11 12 13 14 15 16 17 18 19 20 21
195.2 56.25 105 105 25 169.7 260.9 150.3 135.9 180 135.8
1 1 1 2 2 0.8 0.6 1 0.85 0.6 1
28 | P a g e
Table 8: Mass balance before scaling (kmol/hr)
(100 kmol/hr o-xylene basis)
1 2 3 4 5 6 7 8 9 10 11 12 13
o-xylene 74.95 100 0 100 0 100 100 100 25 25 25.02 0 0

O2 0 0 302.08 0 302.08 0 302.08 302.08 2.08 2.08 0 2.08 0
N2 0 0 1136.38 0 1136.38 0 1136.38 1136.38 1136.38 1136.38 0 1136.38 0

H2O 0 0 0 0 0 0 0 0 244 244 0 244 0
Co2 0 0 0 0 0 0 0 0 76 76 0 76 0
phthalic 0 0 0 0 0 0 0 0 63 63 62.96 0 0
Maleic 0 0 0 0 0 0 0 0 5 5 5.003 0 0
SUM 74.95 100 1438.46 100 1438.46 100 1538.46 1538.46 1551.46 1551.46 92.983 1458.46 0
14 15 16 17 18 19 20 21
0 0 25.008 0 25.01 25.05 0 25.05
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0.634 62.328 0.634 0.00129 0.6335 0.00129
0 0 4.928 0.0624 4.928 0.00471 4.924 0.00471
0 0 30.57 62.3904 30.57 25.056 5.5575 25.056
29 | P a g e
Table 9: Mass balance before scaling (kg/hr)
(100 kg/hr o-xylene basis)
stream # 1 2 3 4 5 6 7 8 9 10 11
o-xylene 7945 10600 0 10600 0 10600 10600 10600 2650 2650 2652.12
O2 0 0 9666.56 0 9666.56 0 9666.56 9666.56 66.56 66.56 0
N2 0 0 31818.6 0 31818.64 0 31818.64 31818.64 31818.64 31818.64 0
H2O 0 0 0 0 0 0 0 0 4392 4392 0
Co2 0 0 0 0 0 0 0 0 3344 3344 0
phthalic 0 0 0 0 0 0 0 0 9324 9324 9318.08
Maleic 0 0 0 0 0 0 0 0 490 490 490.294
SUM 7945 10600 41485.2 10600 41485.2 10600 52085.2 52085.2 52085.2 52085.2 12460.49
12 13 14 15 16 17 18 19 20 21
0 0 0 0 2650.85 0 2650.848 2655.3 0 2655.3
66.56 0 0 0 0 0 0 0 0 0
31818.64 0 0 0 0 0 0 0 0 0
4392 0 0 0 0 0 0 0 0 0
3344 0 0 0 0 0 0 0 0 0
0 0 0 0 93.832 9224.544 93.832 0.19092 93.758 0.19092
0 0 0 0 482.944 6.1152 482.944 0.46158 482.552 0.46158
39621.2 0 0 0 3227.62 9230.659 3227.624 2655.953 576.31 2655.953
30 | P a g e
Table 10: Mass balance after scaling
kmol/hr after scaling factor =1.236
stream # 1 2 3 4 5 6 7 8 9 10 11 12 13
o-xylene 92.64 123.6 0 123.6 0 123.6 123.6 123.6 30.9 30.9 30.92472 0 0
O2 0 0 373.371 0 373.3709 0 373.3709 373.3709 2.57088 2.57088 0 2.57088 0
N2 0 0 1404.57 0 1404.566 0 1404.566 1404.566 1404.566 1404.566 0 1404.566 0
H2O 0 0 0 0 0 0 0 0 301.584 301.584 0 301.584 0
Co2 0 0 0 0 0 0 0 0 93.936 93.936 0 93.936 0
phthalic 0 0 0 0 0 0 0 0 77.868 77.868 77.81856 0 0
Maleic 0 0 0 0 0 0 0 0 6.18 6.18 6.183708 0 0
SUM 92.64 123.6 1777.94 123.6 1777.937 123.6 1901.537 1901.537 1917.605 1917.605 114.927 1802.657 0
14 15 16 17 18 19 20 21
0 0 30.9099 0 30.90989 30.9618 0 30.9618
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0.78362 77.03741 0.783624 0.001594 0.783006 0.001594
0 0 6.09101 0.077126 6.091008 0.005822 6.086064 0.005822
0 0 37.7845 77.11453 37.78452 30.96922 6.86907 30.96922
31 | P a g e
Table 11: Mass balance after scaling
kg/hr after scaling factor =1.236
stream # 1 2 3 4 5 6 7 8 9 10 11
o-xylene 9819.649 13101.6 0 13101.6 0 13101.6 13101.6 13101.6 3275.4 3275.4 3278.02
O2 0 0 11947.87 0 11947.87 0 11947.87 11947.87 82.26816 82.26816 0
N2 0 0 39327.84 0 39327.84 0 39327.84 39327.84 39327.84 39327.84 0
H2O 0 0 0 0 0 0 0 0 5428.512 5428.512 0
Co2 0 0 0 0 0 0 0 0 4133.184 4133.184 0
phthalic 0 0 0 0 0 0 0 0 11524.46 11524.46 11517.15
Maleic 0 0 0 0 0 0 0 0 605.64 605.64 606.0034
SUM 9819.649 13101.6 51275.71 13101.6 51275.71 13101.6 64377.31 64377.31 64377.31 64377.31 15401.17
12 13 14 15 16 17 18 19 20 21
0 0 0 0 3276.448 0 3276.4 3282 0 3281.951
82.26816 0 0 0 0 0 0 0 0 0
39327.84 0 0 0 0 0 0 0 0 0
5428.512 0 0 0 0 0 0 0 0 0
4133.184 0 0 0 0 0 0 0 0 0
0 0 0 0 115.9764 11401.54 115.98 0.236 115.885 0.235977
0 0 0 0 596.9188 7.558387 596.92 0.5705 596.434 0.570513
48971.8 0 0 0 3989.343 11409.09 3989.3 3282.8 712.319 3282.757
32 | P a g e
A. Energy Balance around the reactor:
30.91 kmol/hr C8H10
2.57 kmol/hr O2
1404.91 kmol/hr N2
77.89 kmol/hr C8H4O3

Reactor
301.66 kmol/hr H20
123.63 kmol/hr xylene 6.18 kmol/hr C4H2O3
373.46 kmol/hr O2
1404.91 kmol/hr N2 93.96 kmol/hr CO2
T=300 0C , P=2 bar T=380 0C , P=1.8 bar
*Using heat of reaction for multiple reactions
*Assuming there is no pressure effect.
Ref: O2, N2, CO2 at (250C, g) and C8H10, C8H4O3 , C4H2O3 , H20 at (250C,L)
Table 12: Enthalpy table

sub (kmol/hr) (kj/kmol) (kmol/hr) (kj/kmol)
C8H10 123.63 30.91
O2 373.46 2.57
N2 1404.91 1404.91
C8H4O3 ----- ----- 77.89
H20 ----- ----- 301.66
CO2 ----- ----- 93.96

C4H2O3 ----- ----- 6.18
33 | P a g e

34 | P a g e
Table 13: Enthalpy table
sub (kmol/hr) (kj/kmol) (kmol/hr) (kj/kmol)
C8H10 123.63 30.91

O2 373.46 2.57
N2 1404.91 1404.91
C8H4O3 ----- ----- 77.89
H20 ----- ----- 301.66
CO2 ----- ----- 93.96
C4H2O3 ----- ----- 6.18
- Calculating the flow rate of molten salt
=m T
T= 290 200 = 90 0C , ,
35 | P a g e
B. Energy Balance around Heat Exchangers and Heater:
- Calculating Q for cooling water heat exchanger (E703)
T= 170 380 = -210 0C ,
- Calculating Q boiler feed water (E702)
T= 80, ,
- Calculating Q heat exchanger (E-701):
- Calculating mass for fuel fired heater (H-701):
36 | P a g e
Fired Heater
C. Energy balance around mixing points :

Heat capacity for the Vapor component (Cp)
General Formula for
Table 14: Constant for calculating heat capacity

Components
o-xylene -3.786 1.424 -8.224 1.798
phthalic -1.064 1.562 -1.023 2.411
anhydride
maleic -3.123 0.8323 -5.217 1.156
anhydride
Oxygen Taking from table B 8 from che 201 book
Nitrogen
Liquid Heat Capacity for any organic:

Cp (cal/mole.C) =41.69 +7.773 10-2 T , T in (C)
37 | P a g e
-Mixing point stream (6) and stream (5) :
n(ox)= 123.63
kmol/hr
P = 2 bar
T = 240 C
n (mix) = 1902
kmol/hr
Mixing point
P = 2 bar
T =?
n() =373.46 kmol/hr X() =
n (N) = 1404.91 kmol 0.196
/hr X(N) =0.739
P = 2 bar X(ox)=0.065
T = 32.5 C
[ [ ]] [ ]
[ ]
( [ ] ) [ ] ( [ ] )
[ ]
38 | P a g e
- Mixing point recycle stream (21) with fresh o-xylem stream (1) :
n(ox) = 30.97 kmol /hr

P = 1.0 bar
T = 135.8 C
n(ox) = 92.66
kmol/hr
P = 1.0 bar
Mixing point
T =25 C
n(mix) = 123.63
kmol/hr
P = 1.0 bar
T =?
[ ]
D. Energy balance around Pumps and compressor:

Energy balance around Pump - 701:
Assume isentropic pump, No temperature change.
; ;
From Bernoulli Equation:
( )
39 | P a g e
Assume there is no loss in pump
Energy balance around Pump - 702:

Assume isentropic pump, No temperature change.
; ;
From Bernoulli Equation :
( )
Assume there is no loss in pump
40 | P a g e
- Energy balance around compressor (C-701):
C-701

[ ])
assume ideal diatomic gas :
( )
41 | P a g e
E. Energy balance for first distillation column -701
Energy balance for first distillation column -701
Assumptions:
1- reflux ratio =1.3
2- Raoult`s law: P= X i *Pisat is applied
Equation used:
Antoine equation:
T in (K) P in (mmHg)
Heat capacity for vapor (range 150C - 450C):
Cp (cal/mol*K) = a + b*T + c*T 2 + d*T3 T in (K)
Heat capacity for liquid:
Cp (cal/mol*C) =41.69 + 7.773*10-2 T T in (C)
Table 15: Constants for calculating heat capacity

a 10*b 105*c 1010*d
O-xylene -3.786 1.424 -8.224 1.798
Phthalic -1.064 1.562 -1.023 2.411
anhydride
Maleic -3.123 0.8323 -5.217 1.156
anhydride
42 | P a g e
Table 16: Antoine equation constants
A B C
O-xylene 16.1156 3395.57 59.46
Phthalic anhydride 15.9984 4467.01 83.15
Maleic anhydride 16.2747 3765.65 82.15
Table 17: Heat Vaporization

Heat Vaporization (cal/mol)
O-xylene 8800
Phthalic anhydride 11850
Maleic anhydride 5850
The inlet temperature of first distillation:
P = X PH*Psat + X MA*Psat + X OX *Psat
P= [(0.677)*( )+( 0.0538)*( ) )+( 0.269)*( )
760mmHg = [(0.677)*( )+(0.677)*( )
+(0.677)*( ))
Solving for: T= 1 5. c
The top temperature of first distillation:
P= ,

608mmHg =
Solving for: T=169.7 c
Top temperature after condensation:

43 | P a g e
PDitilate = X PH*Psat + X MA*Psat + X OX *Psat
760mmHg = [(0.0207)*( )+(0.161)*( )+
(0.817)*( ))
Solving for: T=141. c
The bottom temperature of the distillation:
Pbottom = X PH*Psat + X MA*Psat
Pbottom = [(0.999)*( ) + (0.001)*( )
456mmHg= [(0.999)*( )+(0.001)*( )
ol ing fo T= 60. c
Overall Energy Balance:
Fhf+Qc+QR=DhD+BhB
1) Condenser energy balance:
VHV+ Qc= DhD+LhL
Qc=V(hD-HV)
Where, hD -HV= ( is the latent heat of vaporization)
2) Reboiler energy balance:
QR= DhD+BhB- Fhf - Qc
The enthalpies:
44 | P a g e
[ + OX + ]*(0.817) + [ +
MA+
]*(0.161)+ [ ]*(0.0207)= 88.27 KJ/mol
hD=[ +]*(0.817)+ [ +]*(0.161)+ [
+]*(0.0207)= 23.53 KJ/mol
hB=[ ]*(0) + [
]*(0.999)] + [
]*(0.001)] = 29.82 KJ/mol
hF=[ ]*(0.269) + [
]*(0.677)] + [
]*( 0.0538)] =47.78 KJ/mol
Calculating heat of condenser (Qc) and heat of reboilar (QR):
OX =8800 cal/mol
PH=11850 cal/mol
MA) =5850 cal/mol
mix =X PHPH + X MAMA+ X OX OX = 35.0491 KJ/mol
Qc =-3050396.95 KJ/hr = -847.3325 KW
QR= hDD+hBB-hFF-Qc =747044.35 kj/hr =207.5123 KW
- Energy balance for second distillation column:
45 | P a g e
The inlet temperature of second distillation:
Using Raoult`s law : P = X PHPsatph + X PHPsatMA+ X oX PsatoX
760mmHg = [(0.0207)*( )+(0.161)*( ) )+(0.817)*( )
ol ing fo T=150.3 c
The bottom temperature of the distillation:
Using Raoult`s law : X PHPsatph + X MAPsatMA+ X oX PsatoX
456mmHg =[(0.114)( +(0.886( +(0)( )
Solving for: T=186.50C
The top temperature of distillation:
Using Raoult`s law : P= X PHPsatph + X MAPsatMA+ X oX PsatoX
649.66mmHg =[(5.15*10-6)( +(1.879*10-4)( +(0.998)( )
Top temperature after condensation:
Using Raoult`s law: P=X PHPsatph + X MAPsatMA+ X oX PsatoX
649.66 mmHg =[(5.15*10-6)( +(1.879*10-4 )( +(0.998)( )
46 | P a g e
Calculating the enthalpies:
hv=[ ]*(0.998) + [ ]*(5.15*10^-6)] +
[ ]*(5.15*10^-6)] =21.97 kj/mol
hD =[ ]*(0.998) + [ ]*(5.15*10^-6)] +
[ ]*(5.15*10^-6)] =21.96 kj/mol
hB=[ ]*(0) + [
*(0.114)] + [ ]*(0.886)] =33.724 kj/mol
hF=[ ]*(0.817) + [
]*(0.0207)] + [
]*(0.161)] =55.4826 kj/mol
Calculating heat of condenser (Qc) and heat of reboilar (QR):
OX =8800 cal/mol
PH=11850 cal/mol
MA) =5850 cal/mol
mix =X PHPH + X MAMA+ X OX OX = 36.7513 KJ/mol
Qc =-2617831.642 KJ/hr = -727.1755 KW
QR= hDD+hBB-hFF-Qc =1585005.138 kj/hr =440.279 KW
47 | P a g e
PROCESS
SIMULATION
This chapter represents a process simulation of the terms project on the production of
Phthalic anhydride from o-xylene. The simulation mainly contains the main units of the
plant; mixer and heater, reactor, flash dram and distillation column. The main objective
of this simulation is to evaluate the process under given conditions; SUCH AS
temperature, pressure and composition. In addition, to compare results obtained from
manual mass & energy balances with simulation results. An alternative process design is
to be introduced at the end of this chapter. The original process should produce Phthalic
anhydride with a quantity of 100000 tons/yr.
48 | P a g e
1. INTRODUCTION
This report represents a process simulation of the phthalic anhydride production from
o-xylene. It covers all the major equipment in the plant and its goal is to evaluate the
plants processes under given conditions. Moreover, a comparison between the
calculated and simulation values for mass and energy balances is included in this report.
The process simulator ASPEN HYSYS was used to simulate the plants processes in which
the thermodynamic package was Lee-Kesler-Plocker and SI as the unit system. An
alternative process design is to be introduced where an additional heat exchanger is
added after the reactor. Furthermore, the switch condenser was exchanged by two
sequential flash drums and a third distillation column was added to the plant.
2. PROCESS VALIDATION
In this part, the simulation is set to investigate results obtained from the previous Mass
and Energy balances section through validation of results with values obtained from the
HYSYS simulation of the plants processes. Error is to be reported with these validations
followed by discussions and justifications in the case of high errors. The error equation
used to validate the results is as follows:
| |
Errors of some calculated values that were found to be 100% are in fact zero and
relatively close to the simulated values, for example:
Stream 12: phthalic anhydride flow rate:
| |
Another example was calculating the overall outlet flow rate from the reactor for both
the calculated and simulated values which were 1917.60 kg/h and 1917.96 kg/h
respectively with percentage error of 0.0185 %.
49 | P a g e
A. Flow Rate Spreadsheets
Table 18: Flow Rate Spreadsheets
Stream 1 2 3
Calculated Simulated % Error Calculated Simulated % Error Calculated Simulated % Error
92.64 102 9.176470588 123.6 123.64 0.03235199 0 0 0
O-xylene
0 0 0 0 0 0 373.371 373.371 0
O2
0 0 0 0 0 0 1404.57 1404.57 0
N2
0 0 0 0 0.2909 100 0 0 0
H2O
0 0 0 0 0 0 0 0 0
CO2
0 0 0 0 0 0 0 0 0
Phthalic Anhydride
0 0 0 0 0 0 0 0 0
Maleic Anhydride
Stream 4 5 6
123.6 123.64 0.03235199 0 0 0 123.6 123.64 0.03235199
O-xylene
0 0 0 373.3709 373.371 2.6783E-05 0 0 0
O2
0 0 0 1404.566 1404.57 0.000284785 0 0 0
N2
0 0.2909 100 0 0 0 0 0.2909 100
H2O
50 | P a g e
0 0 0 0 0 0 0 0 0
CO2
0 0 0 0 0 0 0 0 0
Phthalic Anhydride
0 0 0 0 0 0 0 0 0
Maleic Anhydride
Stream 7 8 9
123.6 123.64 0.03235199 123.6 123.64 0.03235199 30.9 30.91 0.03235199
O-xylene
373.3709 373.371 2.6783E-05 373.3709 373.371 2.6783E-05 2.57088 2.44 5.36393442
O2
1404.566 1404.57 0.000284785 1404.566 1404.57 0.000284785 1404.566 1404.57 0.00028478
N2
0 0.2909 100 0 0.2909 100 301.584 302 0.13774834
H2O
0 0 0 0 0 0 93.936 93.97 0.03618176
CO2
0 0 0 0 0 0 77.868 77.89 0.02824496
Phthalic Anhydride
0 0 0 0 0 0 6.18 6.18 0
Maleic Anhydride
51 | P a g e
Stream 10 10 a 11
30.9 30.91 0.03235199 0 30.91 100 30.92472 28.18 9.73995741
O-xylene
2.57088 2.44 5.36393442 0 2.44 100 0 0 0
O2
1404.566 1404.57 0.00028478 0 1404.57 100 0 0 0
N2
301.584 302 0.13774834 0 302 100 0 291.52 100
H2O
93.936 93.97 0.03618176 0 93.97 100 0 0 0
CO2
77.868 77.89 0.02824496 0 77.89 100 77.81856 77.89 0.09171909
Phthalic Anhydride
6.18 6.18 0 0 6.18 100 6.183708 6.18 0.06
Maleic Anhydride
Stream 11 a 11 b 11 c
0 29.19 100 0 29.19 100 0 0.0156 100
O-xylene
0 0 0 0 0 0 0 0 0
O2
0 0 0 0 0 0 0 0 0
N2
0 292 100 0 292 100 0 0.48 100
H2O
0 0.0004 100 0 0.0004 100 0 0.0003 100
CO2
52 | P a g e
0 77.9 100 0 77.9 100 0 0.0002 100
Phthalic Anhydride
0 6.19 100 0 6.19 100 0 0.0002 100
Maleic Anhydride
Stream 12 16 17
0 2.72 100 30.9099 28.18 9.687366927 0 0 0
O-xylene
2.57088 2.44 5.363934426 0 0 0 0 0 0
O2
1404.566 1404.57 0.000284785 0 0 0 0 0 0
N2
301.584 9.99 2918.858859 0 291.52 100 0 0 0
H2O
93.936 93.97 0.03618176 0 0 0 0 0 0
CO2
0 0.0001 100 0.78362 0 100 77.03741 77.89 1.09460778
Phthalic Anhydride
0 0.0009 100 6.09101 6.06 0.511716172 0.077126 0.12 35.7283333
Maleic Anhydride
Stream 18 19 19 a
53 | P a g e
30.90989 28.18 9.687331441 30.9618 28.17 9.910543131 0 28.17 100
O-xylene
0 0 0 0 0 0 0 0 0
O2
0 0 0 0 0 0 0 0 0
N2
0 291.52 100 0 291.52 100 0 291.52 100
H2O
0 0 0 0 0 0 0 0 0
CO2
0.783624 0 100 0.001594 0 100 0 0 0
Phthalic Anhydride
6.091008 6.06 0.511683168 0.005822 0.0001 5722 0 0.0001 100
Maleic Anhydride
Stream 19 b 19 c 19 d
0 28.17 100 0 6.48 100 0 21.69 100
O-xylene
0 0 0 0 0 0 0 0 0
O2
0 0 0 0 0 0 0 0 0
N2
0 291.52 100 0 291.23 100 0 0.2915 100
H2O
0 0 0 0 0 0 0 0 0
CO2
0 0 0 0 0 0 0 0 0
Phthalic Anhydride
0 0.0001 100 0 0 0 0 0 0
Maleic Anhydride
54 | P a g e
Stream 20 21 21 a
0 0.01 100 30.9618 21.64 43.0767098 0 21.7 100
O-xylene
0 0 0 0 0 0 0 0 0
O2
0 0 0 0 0 0 0 0 0
N2
0 0 0 0 0.29 100 0 0.2915 100
H2O
0 0 0 0 0 0 0 0 0
CO2
0.783006 0 100 0.001594 0 100 0 0 0
Phthalic Anhydride
6.086064 6.06 0.43009901 0.005822 0.0001 5722 0 0.0001 100
Maleic Anhydride
Calculated Simulated % Error

M(salt) kg/s 224.5 306.45 26.74172
M(fuel)
kmol/hr 5.14 22.10 76.74
55 | P a g e
B. Energy Spreadsheets
Table 19: Energy Spreadsheets:
Simulation
Equipment calculated Duty (Kw) (Kw) Error %
E-701 371.39 2473 84.98
E-703 -8426 -4043 108.41
H-701 1144 3294 65.27
C-701 3264 1250 161.12
P-701 0.4204 0.5885 28.56
Rxn-701/E-702 -27834 -38000 26.75
Qc(T-701) -847 -8727 90.29
Qr(T-701) 208 9465 97.80
Qc(T-702) -727 -8368 91.31
Qr(T-702) 440 8396 94.76
Qc(T-703) 0 7212 100
Qr(T-703) 0 8603 100
56 | P a g e
C. Discussion of Mass Balance:
Streams 2, 4, 6, 7 and 8: A high error for the flow rate of water is observed in these streams
due to the mixing of the recycle stream with fresh o-xylene. This recycle contains small
amount of water o-xylene. The error occurs because the simulation percentage is low but in
the calculation part, it was assumed that water will leave the switch condenser from the top
stream so that no water would be recycled.
Stream 11, 12, 16, 18 and 19: Many reactions were taken place at the same time. One desired
and one undesired reactions which were hand-calculated using the conversion given by the
problem statement. Furthermore, the water was the main cause for high error in the simulation
part because we assumed that all gasses including water will leave from the top stream of the
first flash drum. For example, the big error in stream 11 was because it was assumed that all
water was left from first flash drum.
Stream 17, 20: In these product and byproduct streams there were some errors maybe due to
the thermodynamic package used. Another possible reason is that the product stream cannot
be pure as 99.9wt% phathilic anhydride with extra amount of maleic anhydride which differs
from the calculated value.
D. Discussion of Energy Balance:

E-703: a huge error was found in this heat exchanger because of some reasons:
1/ The limit of the integration in the hand calculation of the energy balance was from 170 oC
to 380oC, however, the inlet temperature of the heat exchanger in the simulation software
(HYSYS) is 300 oC and the outlet temperature is 200 oC.
2/In the calculated value, the effect of pressure on the energy balance was neglected.
C-701: A relatively high error was observed in this unit's load due to:
- The limit of the integration in the hand calculation of energy balance was from 25 oC to
240oC, however, the inlet temperature of the compressor in the simulation software (HYSYS)
was 25 oC and the outlet temperature was 111.1 oC.
57 | P a g e
3. PROCESS SIMULATION
This part will discuss the simulation process of phathilic anhydride from o-xylene.
Figure 3: Process Simulation
58 | P a g e
Figure 4: Stream Information
59 | P a g e
Figure 5: Streams Compositions
60 | P a g e
Figure 6: Streams Compositions
Figure 7: Energy Stream information

61 | P a g e
4. ALTERNATIVE PROCESS
In this section, an alternative design of the production of Phthalic anhydride from xylene is provided. The objective of
this study is to produce Phthalic anhydride with a purity of 99.9 % by removing one of the two separators. Finally, a
comparison between the original design and the alternative one will be done.
Figure 8: Alternative Process
62 | P a g e
Figure 9: Materials Streams (Alternative process)
63 | P a g e
64 | P a g e
Figure 10: Streams Compositions (Alternative process)
65 | P a g e
Figure 11: Energy Stream (Alternative process)
66 | P a g e
As shown above, there are two processes PFDs. One is our process (original) while the other
is alternative. The specified process (original) was chosen due to some reasons:
1- The amount of recycled o-xylene was higher than the alternative.
2- The amount of recycled water along with o-xylene is lower than the alternative since water
would affect the reactions in the reactor if it exists in huge amount.
3- The amount of phthalic anhydride produced in the original was 78kmol/hr while in the
alternative was 75 kmol/hr.
4- The amount of maleic anhydride produced in the original was 6 kmol/hr while in the
alternative was 5.8 kmol/hr.
67 | P a g e
EQUIPMENT
SIZING
68 | P a g e
1. REACTOR DESIGN
In this section, designing a plug flow reactor for multi reaction and non-isothermal condition
has been done. This reactor is supported with a heat exchange to remove the heat generated
from the exothermic reaction. In this designing section, mole balances were considered to be
in the form of the final mole which is the remaining at the end of the reaction period. Since the
reaction is parallel, taking in mind the reaction rates is too important by combining all these
rates for each material. Then evaluating the rest of these rates using the stoichiometric
coefficients. Evaluating the concentration of each material were done in which all the pressure
and temperature effect was considered.. By the end of this step, combination all previous steps
can be done to reduce the number of equations. Using Ergun equation, pressure drop across
the reactor was evaluated. In energy balance, to increase the accuracy of the results.
A. REACTOR DESIGN EQUATIONS
The reactions involved are:
C8H10 +3O2 C8H4O3 + 3H2O (Desired (main) Reaction)
C8H10 +7.5O2 C4H2O3 + 4H2O +4CO2 (Undesired Reaction)
C8H10 +10.5O2 5H2O +8CO2 (Undesired Reaction)
Mo e con enient ep esentation of all eactions equations
A +B C+ 3F (Desired (main) Reaction)
A +7.5B D + 4F +4E (Undesired Reaction)
A +10.5B 5E +8E (Undesired Reaction)
Where:
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A is o-xylene
B is Oxygen.
C is Phthalic anhydride.
D is Maleic anhydride.
E is carbon dioxide
F is Water
I is Nitrogen inert gas
B. MOLE BALANCE
The basic mole balances of all components involved in the reactions are:
o-xylene (A): ( )
Oxygen (B): ( )
Phthalic anhydride (C) : ( )
Maleic anhydride (D): ( )
carbon dioxide (E): ( )
Water (F): ( )
70 | P a g e
Where:
. hr))
C. NET RATE LAWS

( )
( )
( )
( )
( )
( )
D. RATE LAWS
The reaction rate expressions are:
( )
( )
71 | P a g e
( )
The reaction rate constant (k) is given in the form:
so, to get the value of the ki , it has to be evaluated at each temperature:
to evaluate the partial pressure of o-xylene and oxygen , ideal gas law is needed in which:
Where:
- CA is the molar concentration of methanol in (kmol/m3)
- T is in (K)
- R is the gas constant= 0.082 (atm.m3/kmol.K)
And so the reaction rate expressions will be:
( )
72 | P a g e
( )
( )
E. STOICHIOMETRY
In this design problem, the calculation will be done in case there is a variation in both
temperature and pressure. So for gas phase, the concentration can be found as follow:
( ) ( ) ( ) ( )
Therefore,
( ) ( ) ( ) ( )
( ) ( ) ( ) ( )
( ) ( ) ( ) ( )
( ) ( ) ( ) ( )
( ) ( ) ( ) ( )
( ) ( ) ( ) ( )
( ) ( ) ( ) ( )
73 | P a g e
is the inlet feed temperature which is 573.15 K
is the inlet feed pressure which is 1.7 bar
FT=FA+FB+FC+FD+FE+ FF+ FI (FI=1404.4 Kmol/hr)
F. COMBINATION
Mole balances, rate equation and stoichiometric relations are combined together to form the
main design equation. Note, the temperature
o-xylene(A)
74 | P a g e
Oxygen (B):
( )
( )
Phthalic anhydride (C) :
Maleic anhydride (D):
( )
carbon dioxide (E):
( )
Water (F):
( )
( )
75 | P a g e
G. PRESSURE DROP
Pressure drop can be calculated using the differential equation of Ergun equation:
( )
Evaluating parameters:
76 | P a g e

Using Excel software, Ergun equation parameters is evaluated,
H. ENERGY BALANCES
Using the energy balance design equation of a PBR with heat exchange:
in our case I will use a constant coolant with T= 650K
Evaluating the energy balance parameters:
Standard heat of reaction
The standard heat of reaction, , will be taken from HYSYS, that is,
77 | P a g e
Heat capacity
The heat capacity for each component
CpA=-3.786+0.14248*T-8.224*(10^-5)*T^2+1.798*10^-7*T^3
CpC=-1.064+0.1562*T-1.023*(10^-5)*T^2+2.411*10^-7*T^3
CpN=29*10^-3+0.2199*10^5*T+0.5723*10^-8*T^2-2.871*10^-12*T^3
CpF=33.46*10^-3+0.688*10^-5*T+0.7604*10^-8*T^2-3.593*10^-12*T^3
CpB=29.1*10^-3+1.158*10^5*T-0.6076*10^-8*T^2+1.311*10^-12*T^3
Overall heat-transfer coefficient ( )
The overall heat of reaction U is assumed to be at

.
PBD heat-exchange area per volume
The heat-exchange area per volume can be calculated as follows
78 | P a g e
I. Catalyst information
The catalyst type and some of its physical characteristics are listed in Table below
Table 20: Type of the catalyst and its characteristics.

Type of catalyst vanadium pentoxide
Density of solid catalyst, c 3350

(kg/m3)
Void f action (po osity), 0.45
Bulk density of solid catalyst, b (1- ) c = 1843

(kg/ m3)
Catalyst particles diameter, (m) 0.003
J. Calculation and Results

In this epo t, Coulson & Richa dsons Chemical Enginee ing Design is going to be ou
reference in designing the heat exchanger inside the PBR. Specifications and physical
properties are given in the literature.
1. Overall heat transfer coefficient
According to heuristics, overall heat-transfer coefficient, Uassumed, is initially assumed to be at

.
2. Exchanger type and dimensions
A shell-and-tube exchanger with one-pass tube and one-pass baffled shell is used in the design
of the PBR where the fouling factor, F, is 1. Counter-current heat exchange will be considered
in this design as shown in Figure 1.
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Figure 12: Flow arrangement in counter-current tube heat exchangers.
Where:
Tc1: the reactor feed temperature.
Th1: the inlet cooling salt temperature.
Tc2: the reactor effluent temperature.
Th2: the outlet cooling salt temperature.
3. Amount of molten salt needed
Molten Salt - 50% KNO3 - 40% NaNO2- 7% NaNO3 (by weight)
4. Tube selection and specifications
Tube diameter is assumed to be 15-20 , times the catalyst particle diameter,(taking 15*0.002).
The rest of specifications are given below in Table 2.
80 | P a g e
Table 21: Tube Specifications
Tube Specifications
Inside diameter, m 0.057
Outside diameter, m 0.06
Thickness, m 0.003
Cross-sectional area of tube (based on I.D), m2 0.0025517
5. Evaluating the design equations
An assumption of a number of 1000 tubes, , is made as a starting point then

1200 tubes were selected
o-xylene molar flow rate per tube, , and oxygen molar flow rate per tube, ,
are then calculated and found to be and ,

respictivally.
The shell side temperature is assumed to be constant at 650 K while the cooling
fluid is molten salt. After that, the differential design equations are solved using
Polymath.
The conversion achieved was 66.6%.
81 | P a g e
The weight of catalyst in each tube needed to achieve the desired conversion is
30 kg.
The length, , and volume of one tube, , can be calculated as following:
The volume where the reaction takes place inside the reactor can be calculated.
The total weight of catalyst required for the reaction can now be calculated as
following:
Temperature and conversion profiles and all other important graphs are given
below in Figure 2-5
82 | P a g e
Conversion vs. Reacting Volume
0.8
0.7
0.6
0.5
X 0.4
0.3 Conversion vs. Reacting
Volume
0.2
0.1
0
0 0.01 0.02 0.03 0.04
V (m3/tube)
Figure 13: Reactor volume vs. conversion.
Conversion vs. Catalyst Weight

0.8
0.7
0.6
0.5
X 0.4
0.3 Conversion vs. Catalyst
Weight
0.2
0.1
0
0 20 40 60 80 100 120
W (kg/tube)
Figure 14: Conversion profile.
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Temperature vs. Catalyst Weight
660
650
640
630
620
T (K) 610
600 Temperature vs. Catalyst
590 Weight
580
570
560
0 10 20 30 40 50 60 70 80 90
W (kg/tube)
Figure 15: Temperature profile.
Pressure(y=P/P0) vs. Catalyst Weight

1.002
1
0.998
0.996
P (bar) 0.994
0.992 Pressure vs. Catalyst
Weight
0.99
0.988
0.986
0 20 40 60 80 100 120
W (kg/tube)
Figure 16: Pressure profile.
84 | P a g e
concentration
0.009
0.008
0.007
0.006
0.005
C CA
0.004
CB
0.003
CC
0.002
0.001
0
0 20 40 60 80 100 120
W (kg/tube)
Figure 17: concentration profile.
6. Shell design and reactor layout
Several parameters must be taken into account to calculate the shell diameter including the
tubes diameter, tube spacing and the space between the baffle and the reactor wall.
The tubes are fixed and placed in square baffles with tube spacing of 2 cm to allow
the molten salt to flow freely through the reactor. The distance between the baffles
and the reactor wall is also assumed to be 10 cm as shown in Figure 6.
85 | P a g e
Figure 18: Cross-sectional view of a tube.
To calculate the bundle diameter, , values of K1 and n1 should be obtained. Table-

4 shows these constant values for both types of pitch at different number of passes.

( )
86 | P a g e
Table 22: Values of K1 and n1 for both types of pitch at different number of passes.
From Table-22, for a Square pitch and one tube pass, K1 = 0.215 and n1 = 2.207.
Thus, the bundle diameter is

( ) ( )
To calculate the shell diameter, Clearance is needed. From Figure 2, clearance can be
extrapolated and the shell diameter can be calculated. For the fixed and U-tube Figure 2, a
straight line equation is derived and given below:
So,
87 | P a g e
Figure 19: Shell-bundle clearance.
7. Baffles calculations
Baffles are usually used in reactor, especially in those which supported with heat exchanger.
In this reactor, baffles are used to improve heat transfer between molten salt and the tube side
flow. Also, it does prohibit the formation of turbulence in flow.
a) Baffles spacing is assumed and calculating as following:
b) According the length of tubes which is 6.38 m, 6 baffles will be enough inside the
reactor.
88 | P a g e
c) Also, according to the distance between the baffles and the reactor wall and the shell
diameter, the area of one baffle can be calculated as following:
8. Polymath software
The three differential design equations are going to be solved simultaneously using Polymath
software. Conversion, temperature, pressure and volume of and etc. for the PBR are shown
below.
However, to run and show the polymath program, click the Polymath software icon,
reactor design.pol
Table 23: Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 CA 0.0027699 0.0007968 0.0027699 0.0007968
2 CB 0.0083662 2.382E-08 0.0083662 2.382E-08
3 CC 0 0 0.00115 0.0011445
4 CD 0 0 0.0003118 0.0003103
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5 CE 0 0 0.0023649 0.0023536
6 CF 0 0 0.0053958 0.0053699
7 CpA 84.71329 84.71329 103.4572 103.4572
8 CpB 6.637E+07 6.637E+07 7.527E+07 7.527E+07
9 CpC 130.4958 130.4958 162.356 162.3559
10 CpF 0.0392247 0.0392247 0.040158 0.040158
11 CpN 1.26E+07 1.26E+07 1.429E+07 1.429E+07
12 CT0 0.0426 0.0426 0.0426 0.0426
13 dCp 0 0 0 0
14 delHrx -7.4E+04 -7.4E+04 -7.4E+04 -7.4E+04
15 dHrx0 -7.4E+04 -7.4E+04 -7.4E+04 -7.4E+04
16 FA 0.103 0.0343309 0.103 0.0343309
17 FB 0.3111 1.026E-06 0.3111 1.026E-06
18 FC 0 0 0.0493088 0.0493088
19 FD 0 0 0.0133702 0.0133702
20 FE 0 0 0.1014017 0.1014017
21 FF 0 0 0.2313577 0.2313577
90 | P a g e
22 Ft 1.5841 1.5841 1.59977 1.59977
23 Ft0 1.585 1.585 1.585 1.585
24 K1 0.0208345 0.0208345 0.3436581 0.3436559
25 K2 0.0051518 0.0051518 0.0932991 0.0932985
26 K3 0.0021483 0.0021483 0.0418389 0.0418386
27 N 1200. 1200. 1200. 1200.
28 rx1 -0.0010664 -0.0068926 -1.853E-08 -1.853E-08
29 rx2 -0.0002637 -0.0018713 -5.031E-09 -5.031E-09
30 rx3 -0.00011 -0.0008391 -2.256E-09 -2.256E-09
31 T 573.15 573.15 650.0002 650.
32 T0 573.15 573.15 573.15 573.15
33 v 0 0 0.0298507 0.0298507
34 W 0 0 100. 100.
35 X 0 0 0.6666901 0.6666901
36 y 1. 0.9884944 1. 0.9884944
91 | P a g e
Differential equations
1 d(FB)/d(W) = 3*rx1+7.5*rx2+10.5*rx3
Mole Balance
2 d(FA)/d(W) = rx1+rx2+rx3
3 d(FE)/d(W) = -4*rx2-8*rx3
4 d(FF)/d(W) = -3*rx1-4*rx2-5*rx3
5 d(FD)/d(W) = -rx2
6 d(FC)/d(W) = -rx1
d(T)/d(W) = ((216*70.1*(650-
7
T))/1848)+(rx1*delHrx)/((FA*CpA)+(FB*CpB)+(FC*CpC)+(FF*CpF)+(1.17*CpN)*1000)
Energy Balance
8 d(y)/d(W) = (-0.0002/(2*y))*(T/T0)*(Ft/Ft0)
Momentume Balance (pressure drop)
9 d(v)/d(W) = 1/3350
Explicit equations
1 N = 1200
2 CpA = -3.786+0.14248*T-8.224*(10^-5)*T^2+1.798*10^-7*T^3
92 | P a g e
3 CpC = -1.064+0.1562*T-1.023*(10^-5)*T^2+2.411*10^-7*T^3
4 CpN = 29*10^-3+0.2199*10^5*T+0.5723*10^-8*T^2-2.871*10^-12*T^3
5 CpF = 33.46*10^-3+0.688*10^-5*T+0.7604*10^-8*T^2-3.593*10^-12*T^3
6 CpB = 29.1*10^-3+1.158*10^5*T-0.6076*10^-8*T^2+1.311*10^-12*T^3
7 dHrx0 = -7.4*10^4
8 dCp = 0
9 delHrx = dHrx0+dCp*(T-298.15)
10 CT0 = 0.0426
11 Ft = FA+FB+FC+FD+(1.17)+FE+FF
12 T0 = 573.15
13 CA = CT0*(FA/Ft)*y*(T0/T)
14 CB = CT0*(FB/Ft)*y*(T0/T)
15 CE = CT0*(FE/Ft)*y*(T0/T)
16 Ft0 = 1.585
17 K1 = exp(19.837-27000/(1.987*T))
18 K2 = exp(19.23-27900/(1.987*T))
19 K3 = exp(18.97-28600/(1.987*T))
93 | P a g e
20 rx1 = -1*K1*0.082 *T*CA*0.082 *T*CB
21 rx2 = -1*K2*0.082 *T*CA*0.082 *T*CB
22 rx3 = -1*K3*0.082 *T*CA*0.082 *T*CB
23 CD = CT0*(FD/Ft)*y*(T0/T)
24 CC = CT0*(FC/Ft)*y*(T0/T)
25 CF = CT0*(FF/Ft)*y*(T0/T)
26 X = ((123.6/N)-FA)/(123.6/N)
9. Final layout of the reactor
The packed bed reactor consists of two parts: one cylindrical column and two half spheres.
Both half spheres will be placed on the two ends of the reactor as shown in Figure 8.
Feed
Half sphere
cooling fluid
Cylindrical column
cooling fluid
Half sphere
Product
Table 24: Schematic diagram of a packed bed reactor.
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The shell diameter, , and the length of the cylindrical column where reactions take place, ,
are needed to calculate to the volume of the packed bed reactor.
Figure 20: Final Layout of the Reactor
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K. Reactor Instrumentation and Control
Several parameters are controlled by the control loop, but the most important parameter is
temperature. Reactor temperature control typically is very important to product quality,
production rate and operating costs. With packed bed reactors, the usual objectives are to:
hold the temperature within a certain band around the set point, preferably without
oscillation;
reduce operator intervention as much as possible; and
minimize consumption of utilities.
In general, the control loop mainly will detect any change in the temperature and try to keep
the molten salt temperature at the set.
An endothermic chemical reaction is taking place in a catalytic packed bed reactor. If the flow
through the reactor were plug flow; then, a single sensor at the outlet would provide sufficient
information. However, the flow is not likely to closely approximate ideal, plug flow, so
sensors should be placed throughout the bed as shown in Figure 19.
Figure 21: The packed bed reactor temperature control loop.
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Table 25:Equipment Summary
Equipment Summary
MOC of Shell Stainless steel
MOC of Tube Carbon steel coated with stainless

steel
Temperature 300.00 C
Pressure 0.2 bar
Height 8.9 m
Diameter 2.522 m
Total Volume of Reactor 40 m3
Volume of Catalyst Bed 32 m3
Number of Tubes 1200
Length of Tube 6.38
Total Weight of Catalyst 39809 kg
Diameter of Tube 6 cm
cooling Fluid Molten salt
Amount of cooling fluid 820800 kg/hr.
Duty -38000 kJ/s.
97 | P a g e
L. Conclusion
In conclusion, designing a packed bed reactor for a single reaction and non-isothermal
condition was done using Polymath software. The pressure drop within the packed bed reactor
was 0.2 bar while the exit conversion was 66.6% at a temperature of about 400 C. The
catalyst used was vanadium pentoxide the total catalyst amount needed to achieve the desired
conversion was 39809 kg. Finally, final layout of the packed bed reactor was done. The
volume of the reactor was found to be 40 m3 while the height and the diameter were found to
be 8.9 m and 2.522 m, respectively.
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K. HAZOP ANALYSIS
This part is accomplished to study some of the problems during normal production hours. A troubleshooting is given in the
table below to prevent the action of the problem later.
Unit: REACTOR
Node: O-XYLENE INLET
Parameter: FLOW
Table 26: HAZOP ANALYSIS for Rector
Guideword Cause Consequence Action

no o-xylene inlet Blockage of the Pipes. Leakage. Needs inspection regularly of transporting
flow lines.
more o-xylene Leakage in the tubes of We might get a product of It is recommended to Install sensor just
inlet flow the heat exchanger low quality. before the reactor.
less o-xylene inlet Feed valve failure We might get a product of It is better to inspect transporting lines
flow low quality. regularly.
99 | P a g e
2. Distillation column (T-701)
I. INTRODUCTION
This report represents detailed calculations of design and sizing for the distillation column (T-
701) of the production of phthalic anhydride from xylene process. Preliminary calculations are
done to be used later such as mass balance, density and molecular weight. The diameter is
found for both sections; rectifying and stripping. The Fenske's equation is used to obtain the
minimum number of trays while the minimum reflux ratio is calculated by the usage of
Underwood's equations. A fully descriptive section of the trays and their specifications is
shown in the report. The process simulator (HYSYS) is used to get simulated results and then
compared them with the values obtained from the equations.
II. PRELIMINARY CALCULATIONS

This part of the design includes the initial calculations needed in the sizing of the distillation
column. These calculations are material balance, physical properties and the relative
volatilities of the components.
A. Material Balance
This initial mass balance around the column indicates the accuracy of the simulated
parameters that are to be used in the followed calculations.
- Assumptions:
1- Light-non key: o-xylene.
2- Light Key: maleic anhydride.
3- Heavy key: phthalic anhydride .
4- Constant Molal Overflow (CMO).
100 | P a g e
For stream 11:
Component Mole ni Molecular Mass mi

fraction (kmol/hr) weight fraction (kg/hr)
Water 0.722 291.5221 18 0.2576 5251.7998
Phthalic 0.1929 77.8945 148.1 0.5659 11537.4943

anhydride
Maleic 0.0153 6.1811 98.06 0.0297 606.1063

anhydride
O-xylene 0.0698 28.1776 106.2 0.1467 2991.5077
For stream 18

Water 0.8949 291.5221 18 0.5942 5251.7998
Phthalic 0 0 148.1 0 0
anhydride
Maleic 0.0186 6.0633 98.06 0.0673 584.5570

anhydride
O-xylene 0.0865 28.1776 106.2 0.3385 2991.5077
101 | P a g e
-For stream 17:

Water 0 0 18 0 0
Phthalic 0.9985 77.8945 148.1 11537.4936 11537.4936

anhydride
Maleic 0.0015 0.1178 98.06 11.5492 11.5492

anhydride
O-xylene 0 0 106.2 0 0
Table 27: stream tables
B. Physical Properties
The physical parameters in this section are the molecular weight and average density for both
the rectifying and stripping sections.
- Molecular Weight:
Rectifying Section:
MW = (0.5942)*(18) + (0.0673)*(98.06) + (0.3385)*(106.2) = 53.2437 g/mol
Stripping Section:
MW = (0.999)*(148.1) + (0.001)*(106.2) = 148.0581 g/mol
102 | P a g e
- Average Density:
Rectifying Section:
Density(v) =
Density(l) = 954.2 = 59. 57
Stripping Section:
Density(v) =
Density(l) = 952 = 59.43
C. Relative Volatilities
The volatility is found for both the rectifying and stripping sections of each component and
their average relative to a reference component which is maleic anhydride.
Rectifying Section:
Stripping Section:
103 | P a g e

Geomet ic A e age (used fo FEN KEs equation)
III. Minimum Reflux

The determination of the minimum external and internal reflux ratios for the distillation
column is done by using unde woods sho tcut method. The assumptions a e listed as follow
- Constant Molal Overflow (CMO).
- Non keys are undistributed with (DxF) = 0 kmol/hr.
- Constant Relative volatilities.
- ince liquid f action q 1, satu ated liquid feed is assumed.
Using underwoods second equation (at q 1):
104 | P a g e

Solve for = 0.2459797386
= 484.29 kmol/hr
- Minimum refluxes:
External Reflux:
Internal Reflux: :
- Actual reflux ratios:
A conventional multiplier is used to find the actual external and internal refluxes. According
to Wankat (1987), this factor has a value between 1.05 and 1.5. In this case, a factor of value
1.2 is used for an economic conservative design.
External Reflux:
Internal Reflux: :
105 | P a g e
IV. Column Diameter
For this process, a sieve tray column is decided to be used. This decision is based on many
features that serve the upcoming economical evaluation of the column. These features include
high capacity, relatively high efficiency, low cost, low fouling tendency and low maintenance
equi ements. To dete mine the diamete of the column, the Fai s (1 63) app oach is used
starting with calculating the vapor flooding velocity and operating velocity. This approach is
to be applied to the both sections.
A. Rectifying (TOP) Section Diameter:

First, the flow parameter is determined as follows:
It is decided to use 24 inch tray spacing as moderate average of the capacity factor of flooding.
The capacity factor can be calculated through Kessler and Wankat (1987) correlation as
follows:
The operating vapor velocity is calculated as:
From external mass balance:
The fraction of flooding that is suggested to have a value of 0.75. Also, the fraction of cross
sectional area is chosen to be 0.9.
106 | P a g e
Diameter sizing of the top section:
B. Stripping (BOTTOM) Section Diameter

Similar sequence of calculations of the top section is applied for the bottom section.
( )
Diameter sizing of the bottom section:
V. TRAY SPECIFICATIONS
This purpose of this part is to investigate the design specifications of the column. These
specifications include the minimum number of stages, theoretical number of stages, optimum
feed stage, actual construction stages and tray efficiency.
107 | P a g e
A. Minimum Number of Stages
The Fenskes equation is an indication of the minimum numbe of stages. It is applied as
follows:

( )

( )
8 equilibrium stages including the partial reboiler at total reflux.
B. Total Number of Stages (theoretical)

GILLILAND CORRELATION
By using of Gilliland correlation, the number of theoretical stages can be determined. This
correlation gives a value with an accuracy of in the following sequence:

Solve for N
C. Optimum Feed Stage

To dete mine the optimum feed stage, Fenskes equation is used as follows
( ) {( )( ) } =0.260 {( )( ) }=0.90
Solve for Nf from top.

Nf = 18 theoretical from top.
Nf = 3 theoretical from bottom.
108 | P a g e
D. Tray Efficiencies & Column Height
OConnell Co elation is used to evaluate the efficiency of the trays. The efficiency of trays
depends on the volatility of the key components and the liquid viscosity of feed.
Figure 22:volatility of the key componentsVs. viscosity of feed
- Overall Efficiency:
Viscosity (, simulated) = 0.1 66
Relati e olatility (Key, top) = 1/0.2119 = 4.72
[ ]
Eo = 0.5956 = 59.56 %
Actual number of stages N =
- Column Height:
The column height is depended on the spacing between the sieve trays. In this design, 24
inches tray spacing were chosen for spacing in order of ease of maintenance. According to
109 | P a g e
Tu tons Distillation Column Design Heu istics (1 55), a safety facto of 10% is to be added
to the final design height. The column height is determined in following manner:
1 stage of partial condenser is to be added to the total height.
Total Actual number of stages = 34 stages.
Safety Factor = 34 * 0.1 = 3.4 stages.
Total Const uction stages = 3.4 + 34 + 1 3 stage including eboile .
Column Height = Tray Spacing * (Num. of stages + safety factor)
Column Height = 24 * (34 + 3.4)*0.0254 = 22.79 m = 74.8 ft

VI. TRAY LAYOUT AND HYDROULICS (TOP)

This section represents the design layout calculations for the sieve plates in the top section.
The tray is a single pass sieve plate counter-flow tray with a straight segmental vertical
downcomer and a weir. The choice of this type of tray because the relatively small diameter of
the column and its liquid load. The efficiency of the tray and the capacity of the column
decrease if a multiple-pass tray was used. The reasons to use a straight segmental downcomer
are due to its simple geometry and low cost. The layout design of tray is shown below:
A. Tray Dimensions
Diatop = 5.11 ft.
Entrainment at a flooding point of 75%:
FP= 0.070, f om below cha t f actional ent ainment () = 0.04
110 | P a g e
Figure 23: Vs. L\G
( ) 0.3927 * 1182.61 = 464.41
- Entrained Liquid:
- Amount Entrained on Top:
- Column Cross-Sectional Area:
- Top downcomer Area:
111 | P a g e
Value of is 0.9. The ratio is provided by Wankat (1987) as 0.726.
- Weir Length:
- Active Area of the Tray:
- Total Area of the Holes:

= * = 16.41 * 0.1 = 1.641
The tray is chosen as a std. 14 gauge tray.
Ttray = 0.078 inch with a common hole diameter do= 3/16 inch.
Pitch Std. spacing between the holes of 3.8do = 0.1725 inch.
Space between the edge holes and the column wall is 2.5 inch.
space between the edge hole and the tray weir is 4 inch.
- Vapor Velocity through the Tray Holes:

- Orifice Coefficient:
The o ifice coefficient is calculated by a co elation of Hughma k and OConnell (1 57) in the
following way:
112 | P a g e
( ) ( )
( ) ( )
- Total Head of Liquid:

Required to overcome the pressure drop of gas on a dry tray is estimated by Ludwig (1995) as
follows:
( ) ( )
The chosen weir height is hweir = 3 inch. This optimum height is enough that the opposite
downcomer remines sealed and retains liquid.
- Weir Correction Factor:
The liquid correction factor Fweir is determined through calculating the liquid load on the tray
in (gal/min) as follows:
The following chart by Bolles (1946) provides a Fweir correlation:
113 | P a g e
Figure 24:Weir Correction Factor
- Liquid Crest Height:

The height of the liquid crest over the weir can be calculated from Francis weir equation as
follows:

( ) ( )
- Liquid Fractional Loss:

The flow area under the downcomer is calculated as follows:
The downcomer apron has 1 inch above the tray.
The fractional loss due to flow in the downcomer and under downcomer is estimated from
equation of Ludwig (1997):
( ) ( )
- Liquid Residence Time:

The residence time for liquid in a straight segmental downcomer is calculated as:
114 | P a g e
B. Flooding and Weeping Check
- Flooding Check:
The summation of all the hydrodynamic effects is the total pressure head on the downcomer:
Since this is less than the 24-in tray spacing, there should be no operational problem and the
liquid flooding is regulated.
- Weeping Check:
To check the operation to be above the weeping and dumping points and avoid excessive
weeping, Kessler and Wankat (1987) provides an indication of the state of operation by
utilizing the surface tension head as follows:
Correlation parameter:
3+ + 0 = 3.57 in
Correlation term:
115 | P a g e
Condition:
Since the condition is satisfied, the operation is free of excessive weeping and dumping.
C. Design Schematics
Figure 25:Design Schematics
116 | P a g e
Figure 26: Design Schematics 2
VII. TRAY LAYOUT AND HYDROULICS (BOTTOM)

The parameters that obtained in the rectifying section are similarly determined for the
stripping section as follow:
A. Tray Dimensions
Diabot = 4.29 ft
Atot = 14.45 ft2
117 | P a g e
Ad = 1.445 ft2
lweir = 3.11 ft
Aactive = 11.56 ft2
Ahole = 1.156 ft2 = 166.46 in2
hweir = 0.5 in
vo = 215.14 ft/s
Co =0.759
hp,d y = 0.019 in
Lg = 150.56 gal/min
hcrest = 1.2954 in
Adu = 0.2591 ft2
hdu = 0.9387 in
hdc = 2.7531 in
tres = 0.1772 sec

- Flooding Check:
The summation of all the hydrodynamic effects is the total pressure head on the downcomer:
The actual aerated head:

118 | P a g e
liquid flooding is regulated.
- Weeping Check:
Correlation term:
Condition:
Since the condition is satisfied, the operation is free of excessive weeping and dumping
VIII. DESIGN FLOWSHEET

The parameters that obtained previously are summarized in this design flow sheet of the
distillation column. The material of construction is decided to be an aluminium for the column
interior walls and sieve trays.
119 | P a g e
Table 28: Design Flowsheet
DESIGN ITEM SPECIFICATION
Material of construction Aluminum
Tray type Aluminum sieve trays
Flow type Gas-liquid counter-flow
Number of trays 20 plus a reboiler
Reflux ratio
Feed tray 18 from top
Number of tray passes Single
Down counter type Vertical Straight Segment
Top down counter area 2.051 ft2
Bottom down counter area 1.445 ft2
Overall tray efficiency 59.56 %
Tray spacing 24 in
Tray thickness 0.078 in
Top weir height 3 in
Bottom weir height 0.5 in
Top weir length 3.71 ft
120 | P a g e
Bottom weir length 3.11 ft
Top hole area 1.641 ft2
Bottom hole area 1.156 ft2
Hole diameter 3/16 in
Hole hole spacing 0.1725 in
Hole wall spacing 2.5 in
Hole weir spacing 4 in
Top column diameter 5.11 ft
Bottom column diameter 4.29 ft
Column height 74.8 ft
IX. Design Simulation

This section is aimed to compare a simulated version of the design and the actual design
parameters obtained from calculations previously. Below is a snapshot of the simulated
column:
121 | P a g e
Figure 27:DESIGN SIMULATION
Here is the values of the calculated design and simulated design parameters:
Table 29:values of the calculated design and simulated design parameters
Design parameter Rigorous solution Simulated solution
Minimum reflux ratio 0.3927 0.0076
Minimum stages 8 6.372
Theoretical stages 20 8.371
X. DESIGN OF CONDENSER
This section presents the design of the condenser. All parameters are to be determined. For
example, tube length, inner and outer tube diameters, shell diameter, total surface area of
tubes, number of tubes, tube and shell heat transfer coefficients. The local heat transfer
coefficients should be used. Many trials may need to be performed, depends on the first guess
of the overall heat transfer coefficient.
1. Assumed tube diameter = 0.04 m

Assumed wall thickness = 0.04064 m
Assumed tube length = 4.5 m
2. Assumed fouling factors: hdo = hdi = 2000 W/m2.oC
3. Material of construction is brass with thermal conductivity (k) equals to 116 W/m. oC
122 | P a g e
4. q (kJ/hr ) = nh Cph h = 8,727,000 W
5. LMTD for Counter-Current Flow:
( ) ( )
70.54oC
( ) ( )
123 | P a g e
6. for one shell pass and two tube passes:
So, Ft = ( Temperature Correction Factor ) = 0.9947
7. Mean Temperature Difference DTm = Ft x LMTD = 0.9947 x 70.54 = 70.17 oC

8. Guess of the overall heat transfer coefficient: U =470 W/m2.oC
9. Provisional Area =
10. Number of tubes Nt =
11. Tube pitch = 1.25do = 1.25 * 0.04064 = 0.0508 m

Bundle diameter = ( ) ( )
For square pitch and two tubes passes, k1 and n1 can be found by:
124 | P a g e
12. For fixed and U-tube heat exchanger with bundle diameter = 1.329 m
Bundle Diameter Clearance (BDC) = 0.026 m

13. Shell diameter = bundle diameter + Bundle Diameter Clearance = 1.329 + 0.026
= 1.355 m
14. Baffle spacing = 0.40 x shell diameter = 0.040 * 1.355 = 0.542 m
15. Cross flow area =
16. Shell-side mass velocity =
17. Shell equivalent diameter for a square pitch arrangement:
18. Shell-side Reynolds number:
19. Prandtle number:
20. Shell-side heat transfer coefficient:

( )
125 | P a g e
Jh can be obtained from the following chart:
So, jh = 0.0013

( )
21. Pressure drop in the shell:
( )( ) ( )
Where,
For 45% of baffle cuts and Re = 142,800; jf can be obtained by:
126 | P a g e
Thus, jf = 0.021
22. Number of tubes per pass (Ntpp) =
23. Tube-side mass velocity Gm =
24. Tube-side velocity:
25.
127 | P a g e
26. [ ( )
]
27. Tube-side pressure drop:
( [ ( ) ])
( [ ])
28. Overall heat transfer factors based on inside and outside tube flow:
( )
( )
XI. DESIGN OF VESSEL
L = 2.5 D
128 | P a g e
D = 0.9229 m, L = 2.3074 m
XII. Control System

The control loop for the distillation column is shown in the figure below:
Figure 28: control loop for the distillation column
XIII. HAZOP ANALYSIS

This section is intended to study some problems that might be faced during normal production
hours. Furthermore, a troubleshooting is added in the analysis to prevent occurrence of the
problem later.
129 | P a g e
Unit: DISTILLATION COLUMN (T-701)
Node: COLUMN TOP AREA (REFLUX)
Parameter: FLOW
-Table 30: HAZOP ANALYSIS

No Reflux Flow Pump(P- 703) Losing desired It is better to Install a
tripping product micrometer in the reflux
section
More Reflux Closing recycle tray flooding will It would be better if

Flow stream increase Installing flow meter before
the column
Less Reflux Accumulation in Leakage in V-701 It is recommended to Install

Flow V-701 a Level Transmitter
XIV. CONCLUSION
To conclude this report, the material of construction of this column is aluminium. The
average diameter of the column is approximately 1.67 m and its height is 9.56 m. The
theoretical number of stages is 11 stages and the optimum one for the feed is stage 9 from the
top. No problems will be encountered because of weeping and entrainment in both sections.
The trays spacing is chosen to be 18 inch for the ease of accessibility.
130 | P a g e
3. Distillation unit (T-702)
I. INTRODUCTION
This part shows an equipment design and sizing for the distillation unit (T-702) of the project
of the production of Phthalic Anhydride from O-xylene. Preliminary calculations are to be
displayed to serve as a baseline of all the calculations that follows. The calculations include
the following:-
1- Mass balance of the distillation unit (T-702).

2- Physical properties of the components and relative volatilities.
3- The minimum reflux ratio of the column from underwoods equation.
4- The diameter of the column in both rectifying and stripping sections.
5- The minimum number of tray from Fenskes elation.
6- The layout of the sieve trays and their hydrodynamic effects.
7- The Overall heat transfer coefficient for the reboiler.
The process simulator HYSYS was used to simulate the distillation unit utilizing a modified
e sion of the the modynamic package Lee-Kesle .
II. PRELIMINARY CALCULATIONS

This part of the design is to demonstrate the initial calculations needed in the design of the
distillation column which include material balance, physical properties of the system and the
relative volatilities of the participating components.
A. Material Balance
To show the accuracy of the simulated parameters, Mass balance around the distillation
column is accomplished
131 | P a g e
- Assumptions:
1- Light-non Key: Water
2- Heavy key: Maleic anhydride
3- Light Key: O-xylene
4- Constant Molal Overflow (CMO)
For stream 18:
Component Mole ni Molecular Mass fraction mi

fraction (yi) (Kmol/hr) weight (xi)
(g/mol) (Kg/hr)
Water 0.8949 291.5221 18 0.5942 5251.7998
Phthalic 0 0 148.1 0 0
anhydride
Maleic 0.0186 6.0633 98.06 0.0673 594.5570

anhydride
O-xylene 0.0865 28.1776 106.2 0.3385 2991.5077
For stream 19:
Component Mole ni Molecular Mass fraction mi

fraction (yi) (Kmol/hr) weight (xi)
(Kg/hr)
Water 0.9119 291.5221 18 0.6372 5251.7998
Phthalic 0 0 148.1 0 0
anhydride
132 | P a g e
Maleic 0 0 98.06 0 0
anhydride
O-xylene 0.0881 28.1669 106.2 0.3628 2990.3709
- For stream 20:
Component Mole fraction ni Molecular Mass fraction mi

(yi) (Kmol/hr) weight (xi)
(Kg/hr)
Water 0 0 18 0 0
Phthalic 0 0 148.1 0 0
anhydride
Maleic 0.9982 6.0633 98.06 0.9981 594.5511

anhydride
O-xylene 0.0018 0.0107 106.2 0.0019 1.1368

Table 31:streams for T-702
B. Physical Properties
Molecular weights and average densities on the basis of mole fractions of the components in
both rectifying and stripping sections.
- Molecular Weight
Rectifying Section:
= (0.9119)*(18) + (0.0881)*(106.2) = 25.77042 g/mol
Stripping Section:
133 | P a g e
= (0.9982)*(98.06) + (0.0018)*(106.2) = 98.074652 g/mol
- Average Density
Rectifying Section:
Density(v) =
Density(l) = 931.3 kg/m3 = 58.14
Stripping Section:
Density(v) =
Density(l) = 1223 kg/m3 = 76.37
C. Relative Volatilities
The volatility of each component is to be calculated for the rectifying and stripping sections
and their average relative to a reference component which is o-xylene.
Rectifying Section:

Stripping Section:

134 | P a g e

=

Geometric Average of the relative volatility:
III. MINIMUM REFLUX

This section is about the determination of the minimum external and internal reflux ratios for
the distillation column (T-702) by utilizing underwoods sho tcut method. To use the
underwoods app oach, the following assumptions a e set
- Constant Molal Overflow (CMO).
- Constant Relative volatilities.
- Since the feed is saturated liquid, q=1.
Using underwoods second equation (at q1)

Solve for = 0.2327
135 | P a g e
= 348.50 kmol/hr
- Minimum refluxes:
External Reflux:
Internal Reflux: :
- Actual reflux ratios:

The multiplier factor is between 1.05 and 1.5. The value 1.2 was chosen.
External Reflux:
Internal Reflux: :
IV. COLUMN DIAMETER

Sieve tray column is decided to be used in the design because they are the widely used
nowadays rather than valve tray. Using Fairs app oach in o de to calculate the diameter of
the column beginning with finding the flooding velocity of vapor, Next, the operating velocity
and eventually obtaining the actual diameter of the column. This approach is applied in both
rectifying and stripping sections.
A. Rectifying (TOP) Section Diameter:

First is to determine the flow parameter:
136 | P a g e
24 inch tray spacing is chosen as a moderate average of the capacity factor of flooding.
Finding the capacity factor from the nonleaniar relationship:
Therefore, the operation velocity is calculated as follows:
From external mass balance:
The fraction of flooding that is utilized by the operational velocity is between 0.65 and 0.9. a
value of 0.75 was chosen. Also, the fraction of cross-sectional area that is available for vapor
flow is between 0.85 and 0.95 and a value of 0.90 was chosen.
Diameter sizing of the top section:
B. Stripping (BOTTOM) Section Diameter

Similar to the top steps, the bottom diameter is calculated.
( )
137 | P a g e
Diameter sizing of the bottom section:
V. TRAY SPECIFICATIONS
The purpose of this section is to investigate the design specifications of the column in relation
to the tray instillation. These specifications include:
1- The minimum number of stages.
2- The theoretical number of stages.
3- The optimum feed stage.
4- The overall tray efficiency.
5- The actual construction stages.
A. Minimum Number of Stages

Through Fenskes equation. The minimum numbe of stages equi ed at total eflux and
equlibruim is as follows :

( )

( )
6 equilibrium stages including the partial reboiler at total reflux.
B. Theoretical Number of Stages

MOLOKANOV CORRELATION
This method is a modern version of the Gilliland correlation that is more accurate. It depends
upon two parameters X and Y:

138 | P a g e
[( )( )]
C. Optimum Feed Stage

In o de to dete mine the location of the feed stage, Fenskes Equation is to be applied in the
rectifying and the stripping sections all together as follows:
( ) {( )( ) } = 0.260 {( )( ) }= 0.479
Solve for Nf from top.

Nf = 9 theoretical from top. Nf = 4 theoretical from bottom.
D. Tray Efficiencies & Column Height

The efficiency of the t ays is to be dete mined using OConnell Correlation. It is a function of
(feed liquid viscosity , the volatility of the key components Key ):
- Overall Efficiency:
Viscosity (, simulated) = 0. 081
Relati e olatility y (Key, top) = 1/0.1794 = 5.57
[ ]
Eo = 0.5104 = 51.04 %
Actual number of stages N =
- Column Height:
The column height relies on the spacing between the sieve trays. 18 inches was chosen for
spacing in order to supply a reasonable space to ease the accessibility for maintenance. A
safety factor of 10% is added. The column height is determined as follows:
1 stage of partial reboiler is to be added to the total height.
Total Actual number of stages= 24 stages
Safety Factor = 24*(0.1) = 2.4 stage
139 | P a g e
Total Construction stages = 2.4 + 24 + 1 28 stage including reboiler
Column Height = Tray Spacing * (Num. of stages + safety factor)
Column Height = 24 * (24 + 2.4)*0.0254 = 16.28 m = 53.42 ft
VI. TRAY LAYOUT AND HYDROULICS (TOP)

This section discusses the layout calculations for the sieve trays in the top section. It was
decided that the type of tray is a single pass sieve plate counter-flow tray with a straight
segmental vertical downcomer and a weir. To avoid the propagation of mal-distribution of the
liquid that decrease the efficiency of the tray , a single pass tray is used. The decision to use a
segmental straight downcomer was because of the low cost.
A. Tray Dimensions
Diatop = 3.499 ft.
Entrainment at a flooding point of 75%:
FP= 0.046, from the cha t f actional ent ainment () = 0.060
140 | P a g e
( ) 0.0992 * 782.42 = 77.62
- Entrained Liquid:
- Amount Entrained on Top:
- Column Cross-Sectional Area:
- Top downcomer Area:
A value of was chosen to be 0.9 as a common standard of the relation between the weir
length and diameter.
- Weir Length:
The ratio of between the weir length and diameter is 0.726.
- Active Area of the Tray:
- Total Area of the Holes:

= * = .35 * 0.1 = 0.7 6
- The tray is a std. 14 gauge tray with thickness (Ttray) = 0.078.
- Pitch Std. spacing between the holes of 3.8*do = 0.1725 inch.
- The hole diameter do= 3/16 inch for normal operation.
- A space between the edge holes and the column wall is 2.5 inches.
141 | P a g e
- A space between the edge hole and tray weir of 4 inches.
- Vapor Velocity through the Tray Holes:

- Orifice Coefficient:
F om a co elation by Hughma k and OConnell
( ) ( )
( ) ( )
- Total Head of Liquid:

The pressure drop of gas on a dry tray is estimated by Ludwig as follows:
( ) ( )
The chosen weir height is = 3 inch to retain the down flowing liquid.
- Weir Correction Factor:

The liquid correction factor is determined by calculating the liquid load on the tray in
(gal/min) as follows:
The following chart provides a correlation:
142 | P a g e
- Liquid Crest Height:
The liquid crest over the weir is determined by Francis relation as follows:

( ) ( )
- Liquid Fractional Loss:

The flow area under the downcomer with a 1 inch gap between the downcomer apron and
the lower tray is calculated as follows:
143 | P a g e
The fractional loss of the liquid head is countered during down flow through the downcomer
and the lower tray and is found from the following relation:
( ) ( )
- Liquid Residence Time:

The time for the liquid to move from a tray to another tray is obtained from the following
relation:

- Flooding Check:
The total pressure head on the downcomer is:
liquid flooding is regulated
- Weeping Check:
Analysis is done to check for the operation to be above the weeping and dumping points.
144 | P a g e
3+ + 0 = 3.127 in
Condition:
Since the correlated weeping check condition is satisfied, the operation is free of excessive
weeping and dumping.
C. Design Schematics
145 | P a g e
VII. TRAY LAYOUT AND HYDROULICS VII. TRAY LAYOUT AND
HYDROULICS (BOTTOM)
A similar procedure to the top side of the column is done in the bottom section and the
following parameters were obtained:
A. Tray Dimensions
Table 32:Tray Dimensions
Diabot = 3.15 ft Atot = 7.79 ft2 Ad = 0.779 ft2 lweir = 2.29 ft
Aactive = 6.23 ft2 Ahole = 0.6232 ft2 = hweir = 0.5 in vo = 360 ft/s
89.74 in2
Co =0.759 hp,d y = 0.039 in Lg = 255.21 gal/min hcrest = 2.47 in
Adu = 0.191 ft2 hdu = 3.73 in hdc = 6.739 in tres = 0.88 sec
146 | P a g e
- Flooding Check:
The total pressure head on the downcomer is as follows:
The actual aerated head:
liquid flooding is regulated
- Weeping Check:
Correlation term:
Condition:
147 | P a g e
Because the correlated weeping check condition is satisfied, the operation is free of excessive
weeping and dumping.
VIII. DESIGN FLOWSHEET

The following table shows a detailed design flow sheet of the distillation column. Due to the
corrosive nature of concentrated O-xylene, The Aluminum was decided to be Material of
Construction (MOC) for the column interior walls as well as sieve trays.
Table 33:DESIGN FLOWSHEET
DESIGN ITEM SPECIFICATION
Material of construction Stainless steel
Tray type Stainless steel sieve trays
Flow type Gas-liquid counter-flow
Number of trays 12 plus a reboiler
Reflux ratio
Feed tray 9 from top
Number of tray passes Single
Downcounter type Vertical Straight Segment
Top downcounter area 0.962 ft2
Bottom downcounter area 0.779 ft2
Tray efficiency 51.04 %
148 | P a g e
Tray spacing 24 in
Tray thickness 0.078 in
Top weir height 3 in
Bottom weir height 0.5 in
Top weir length 2.54 ft
Bottom weir length 2.29ft
Top hole area 0.769 ft2
Bottom hole area 0.6232 ft2
Hole diameter 3/16 in
Hole hole spacing 0.1725 in
Hole wall spacing 2.5 in
Hole weir spacing 4 in
Top column diameter 3.499 ft
Bottom column diameter 3.15 ft
Column height 53.42 ft
149 | P a g e
IX. DESIGN SIMULATION
As a measure of accuracy and consistency, this section displays a simulated version of the
design and a comparison to the actual design parameters obtained from rigorous calculations.
A snapshot of the simulated distillation column is the following:
Figure 29:design simulation
Design parameter Rigorous solution Simulated solution
Minimum reflux ratio 0.03562
Minimum stages 6 5.317
Theoretical stages 12 7.102
The deviation might be due to the assumption of binary system for the multicomponent non-
ideal mixture.
150 | P a g e
X. DESIGN OF CONDENSER
This section will exhibit the design of the reboiler. The type of the reboiler is shell and tube
heat exchanger with a utility of High pressure steam. Some parameters to be determined such
as.
1- Tube length. 2- Inner and outer tube diameters.
3- Total surface area of tubes. 4- Shell diameter.
5- Number of tubes. 6- Tube and shell heat transfer coefficients.
7- Heat duty and other design specification.
Microsoft Excel was used to implement the trials faster.

- Assumptions:
1- Tube diameter = 0.016 m.
2- Wall thickness = 0.001 m
3- Tube length = 2.5 m
4- Assuming Tshell, in = Th,i = 290 oC and Tshell, out = Th,o = 280 oC.
5- Material of construction is Brass with thermal conductivity (k)
equal to 116 W/m.oC
6- Fouling factors = 0.0005
Tc,i = 203.5 oC and Tc,o = 205.8 oC
151 | P a g e
q (W ) = 83950000 W
PROCEDURE:
1- LMTD for Counter-Current Flow:
( ) ( ) o
C
( )
2- For one shell pass and two tube passes:
152 | P a g e
So, = ( Temperature Correction Factor ) = 1
3- Mean Temperature Difference DTm = Ft x LMTD = 0.998478*

o
C
4- Initial guess of the overall heat transfer coefficient: U=622 W/m2.oC
5- Provisional Area = = 168.1236687 m2
6- Number of tubes Nt =
7- Tube pitch = 1.25do =1.25 * 0.017 = 0.0213 m.
153 | P a g e

8- Bundle diameter = ( ) ( )
For square pitch and two tubes passes, and can be found by:
9- For fixed and U-tube heat exchanger with bundle diamete
10- Bundle Diameter Clearance (BDC) = 0.015

11- Shell diameter = bundle diameter + Bundle Diameter Clearance = 0.885717066 + 0.016 =
0.901717066 m
154 | P a g e
12- Baffle spacing = 0.40 x shell diameter = 0.40 * 0.901717066= 0.360686827 m
13- Cross flow area =
14- Shell-side mass velocity =
15- Shell equivalent diameter for a square pitch arrangement:
16- Shell-side Reynolds number:
17- Prandtle number:
18- Shell-side heat transfer coefficient:

( )
19- can be obtained from the following chart:
So, = 0.01
155 | P a g e
( )
[ ]
( )
20- Pressure drop in the shell:
( )( ) ( )
21-
For 45% of baffle cuts and Re =; jf can be obtained by:
Thus, jf =0.08
( )( )
22- Number of tubes per pass (Ntpp) =
tubes/pass.
156 | P a g e
23- Tube-side mass velocity Gt =
24- Tube-side velocity:
25-
26-
27- ( )
( )
28- Tube-side pressure drop:
( [ ( ) ])
( [ ])
29- Overall heat transfer factors based on inside and outside tube flow:
( )
o
C
( )
o
C
o
C
157 | P a g e
XI. DESIGN OF VESSEL
Based on Hurestics, the diameter and height of the reflux drum are as follows:
L = 2.5*D.
D = 0.9090 m. L = 2.273 m.
XII. Control System

The following figure displays a control loop was suggested for the tower (T-702):
Figure 30:control loop was suggested for the tower (T-702)
158 | P a g e
XIII. HAZOP ANALYSIS
This part is to investigate some problems that might be faced during normal production hours.
Moreover, a troubleshooting is included in the analysis to prevent occurance of the problem
later.
Unit: DISTILLATION COLUMN (T-702)

Node: COLUMN TOP AREA (REFLUX)
Parameter: FLOW
Table 34:XIII. HAZOP ANALYSIS
Deviation Cause Consequence Action

No Reflux Pump(P- 704) Losing Desired It is better to Install a
Flow tripping Product micrometer in the reflux section
More Reflux Plugging recycle Increasing tray It is recommended to Install
Flow stream flooding flow meter just before the
column
Fluctuation of Lead to low quality It is recommended to inspect
pressure drop in the Product pump Regularly
pump
Less Reflux Accumulation in Leakage in V-702 It is better to Install a Level
Flow V-702 Transmitter (LT)
159 | P a g e
Heat Exchanger Design
I. Introduction
A heat exchanger is equipment used to transfer heat between two fluids. The controlled
fluid flows through tubes while the controlling fluid is used to transfer heat in one of three
typical ways: concentric tube/double pipe (controlling fluid is in an adjoining pipe), cross flow
(controlling fluid is not contained), and shell-and-tube (controlling fluid is in a shell
surrounding the tubes). The shell-and-tube heat exchanger where one shell serves for many
tubes is the very economical. This type of heat exchanger is made of a shell which is a big
vessel with a bundle of tubes inside it. One fluid goes through the tubes, and one more fluid
flows over the shell to. The set of tubes is termed as a tube bundle. To prevent of the tube
sheet there must be a minimum space between the tubes. The purpose of baffles which they
are installed in the shell side is to decrease the cross section of the shell-side liquid plus to
force the liquid to flow across the tube bank rather than parallel to it. In this section three
exchangers will be designed. The first exchanger heat up the feed which is mainly o-xylene
and its di ided into two exchange s in o de to each the ta get tempe ature. Similarly for the
160 | P a g e
exchanger that cool the outlet stream from reactor. The third heat exchanger is for cooling the
molten salt that used to reduce the temperature of the reactor. Dr.Shawabkeh handout was as a
guide in this design.
A. Sample Calculation
For first exchanger E-701:
1. Assumed tube diameter = 0.018m
Assumed wall thickness = 0.001m
Assumed tube length = 1.5 m
2. Assumed fouling factors: hdo = hdi = 2000 W/m2.oC
3. Material of construction is Carbon steel with thermal conductivity (kw) equal to 45 W/m.oC
4-Tube shell Temperature
Q=mCp
Tin= 66.9 OC Tout= 170 OC
Flow rate for tube m=3.627338211 Kg/s (Feed, oxylene)
Assume tube side temperature
Q=mCp
Tin= 200 OC Tout= 190 OC
Q=8.03E+05 W from energy balance.
Flow rate for tube m=0.402657015 Kg/s (utility, MPS)
5. LMTD for Counter-Current Flow:
161 | P a g e
T0 TL
LMTD
ln( T0 / TL )
LMTD = 65.944
6. for one shell pass and two tube passes:
162 | P a g e
T1 T2
R
t 2 t1
R= = 10.31
t 2 t1
S
T1 t1
S= = 0.07
Temperature Correction Factor
From graph Ft = 0.9
7. Mean Temperature Difference DTm = Ft x LMTD = 59.3497809 oC
8. Initial guess of the overall heat transfer coefficient: U= 990 W/m2.oC
9. Exchanger Area 13.67053 m2
10. The total Number of tubes
11. Tube pitch = 1.25do =1.25(0.018+0.001) = 0.0238 m

163 | P a g e
Bundle diameter
For square pitch and two tubes passes, k1 and n1 can be found by:
Hence,
12. For fixed and U-tube heat exchange with bundle diamete 0.30 m
From above figure Bundle Diameter Clearance (BDC) = 13 mm
13. Shell diameter = bundle diameter + Bundle Diameter Clearance
= 0.320 + 0.012 = 0.406 m
164 | P a g e
14. Baffle spacing = 0.40 x shell diameter = 0.1624 m
15. Cross flow area
= = 0.013193 m2

16. Shell-side mass velocity
= 274.9442 (kg/m2*s)
17. Shell equivalent diameter for a square pitch arrangement
= 0.0188 m
18. Shell-side Reynolds number
11142.5451
19. Prandtle number
20. Shell-side heat transfer coefficient

0.14
h d
Nu s e jh Re Pr1 / 3

kf w
Assume =w
jh can be obtained from the following chart
165 | P a g e
Thus,jh =45E-3
= 1505.06129 W/m2*c
21. Pressure drop in the shell
( )( )( )
166 | P a g e
So, jf = 3.6E-2
( )( )( )
= 0.0366 bar
22. Number of tubes per pass (Ntpp)=
= = 80 tube/pass
Tube side flowrate (kg / s)

23. Tube-side mass velocity Gt
N tpp * d i2 / 4
= 19.6363 (kg/m2*s)
24. Tube-side velocity v =
= = 0.454 m/s
25. Tube-side Reynolds number
167 | P a g e
Gs d e i vdi
Re

2.64E+03
Prandtle number
1.0545212
26. Tube-side heat transfer coefficient
kf 0.33 d i
0.33

0.14
1.86 Re . Pr , for Re 2100 La min ar flow

di L w
0.14
d
0.7
kf
hi 0.023 Re 0.8 Pr 0.33 1 i , for Re 2100 Transition and Turbulent regimes
di L w
0.14
j k f Re Pr 0.33 , by ana log y.
h di
w
( )
( )
=476.063313
27. Tube-side pressure drop
( ( ) )
= 0.4087 bar
168 | P a g e
28. Overall heat transfer factors based on inside and outside tube flow
Based on inside diameter Based on outside diameter

1 1
Ui
do ln d o di
Uo
di ln do di
1
hi h1di 2 kw di
do ho di
do hdi
1
ho h1do 2 kw ddi ho o didhodi
Ui = 476.064927
Uo = 1505.06455
U average = 990.56470
Since the calculated average overall heat transfer coefficient (990 .56470 ) is
approximately equal to the assumed value(990 ), the calculation is converged to give
the design speciation. Otherwise, use the calculated value in step 28 and do loop (iterations)
using Excel sheet until the difference between the calculated and assumed U is small.
B. Summary of results
Exchanger E-701A
Table 35: Summary of results for E-701
Column2 Column1
Inner Tube Diameter (m) 0.018
Wall Thickness (m) 0.001
Tube length 1.5
Fouling Factors hdo & hdi (W/m2.oC) 2000
Kw (W/m*C) 45
q heat duty (W) 8.03E+05
T tube in (oC) 200
169 | P a g e
T tube out (oC) 190
T shell in (oC) 66.9
T shell in (oC) 170
LMTD counter current 65.944201
Ft 0.9
delta Tlm 59.3497809
assume U (W/m2*c) 990
total transfer area (m2) 13.6705275
Tube-Side Calculations
Column1
Number of Tubes Nt 161.24708
Tube Pitch pt (m) 0.0238
Bundle Diameter Db (m) 0.39309419
BDC (m) 0.013
Number of Tube per Pass: Ntpp 80.6235401
Tube-Side Flow rate (kg/s) 0.40265702
Tube-Side Mass Velocity Gt (kg/m2*s) 19.6362584
Tube-Side Velocity (m/s) 0.45423745
Reynolds Number 2.64E+03
Prandtle Number 1.05452119
Tube-Side Heat Transfer Coefficient (w/m2*c) 476.063313
Tube-side Pressure Drop P (bar) 0.40871691
Shell Side Calculations

Column1
Shell Diameter Ds (m) 0.40609419
Baffle Spacing Bs (m ) 0.16243767
Shell Side Cross Flow Area As (m2) 0.013193
shell-Side Velocity (m/s) 0.33264149
shell side mass velocity Gs (kg/m2*s) 274.944172
Shell Equivalent Diameter de(m) 0.01876108
Reynolds number 11142.5451
Prandtle number 6.75603287
170 | P a g e
Shell Side Heat Transfer Coefficient (w/m2*c) 1505.06129
Shell Side pressure drop P (kg/m*s2) 0.03656154
Column1
Column2
Overall Heat Transfer Coefficient - Ui (W/m2.oC) 476.064927
Overall Heat Transfer Coefficient - Uo (W/m2.oC) 1505.06455
Average Overall Heat Transfer Coefficient (W/m2.oC) 990.564737
error 0.0570441
L/Ds 3.69372438
Exchanger E-701B
Table 36:Summary of results for E-701B
Design Parameters
Column1
Tube length 1.3
Kw (W/m*C) 45
T tube in (oC) 300
T tube out (oC) 275
T shell in (oC) 170
T shell in (oC) 240
Ft 0.95
delta Tlm 76.39169752
Design Parameters
Column1
Tube length 1.3
Kw (W/m*C) 45
T tube in (oC) 300
T tube out (oC) 275
T shell in (oC) 170
T shell in (oC) 240
171 | P a g e
Ft 0.95
delta Tlm 76.39169752
Tube-Side Calculations
Column1
BDC (m) 0.013
Tube-side P essu e D op P (ba ) 0.182688604
Shell Side Calculations Column1

Reynolds number 5.70E+05
Prandtle number 7.26E-01
hell ide p essu e d op P (kg/m*s ) 1.471157277
172 | P a g e
Column1 Column2
Average Overall Heat Transfer Coefficient
(W/m2.oC) 518.802178
error 0.230350393
L/Ds 3.169057807
Exchanger E-702
Table 37: Summary of results for E-702
Design Parameters Column1

Tube length 3.8
Kw (W/m*C) 16
T tube in (oC) 300
T tube out (oC) 275
T shell in (oC) 170
T shell in (oC) 240
Ft 0.9
delta Tlm 203.2326535
TUBE-SIDE CLACULATION
Column1
BDC (m) 0.013
173 | P a g e
Column1 Column2
Average Overall Heat Transfer Coefficient
(W/m2.oC) 1396.567667
error 0.24516662
L/Ds 3.070439611
174 | P a g e
Exchanger E-703A
Table 38: Summary of results for E-703A

Tube length 2.7
Kw (W/m*C) 45
T tube in (oC) 300
T tube out (oC) 275
T shell in (oC) 170
T shell in (oC) 240
Ft 0.9
delta Tlm 265.9185515
Column1
BDC (m) 0.013

175 | P a g e
Column1 Column2
error 0.420878342
Exchanger E-703B
Table 39:Summary of results for E-703B

Tube length 5
Kw (W/m*C) 45
T tube in (oC) 300
T tube out (oC) 275
T shell in (oC) 170
T shell in (oC) 240
Ft 0.9
delta Tlm 174.9716017
176 | P a g e
Column1
BDC (m) 0.013
Shell Side Calculations

Column1
Column1 Column2
error 0.05677207
L/Ds 3.190112056
177 | P a g e
II. Summery
This report presents the design of four exchangers that used production of PA process. All of
the exchangers are shell and tube type and the utilities are HPS, MPS and cooling water. All
the specifications and design parameters are tableted. The parameters were obtained from
HYSY such as density, velocity, thermal conductivity and flow rates. The procedure is done
same as in Dr.Shawabkeh handout. In this design L/Ds ratio is maintained in the range 3 to 5.
178 | P a g e
III. HAZOP ANALYSIS
This part is accomplished to study some of the problems during normal production hours. A troubleshooting is given in the
table below to prevent the action of the problem later.
Unit: HEAT EXCHANGER (E-703)

Node: WATER INLET
Parameter: FLOW
Table 40:HAZOP ANALYSIS

No water inlet No cooling process Cease in the precedence It is recommended to have a standby source of
flow process cooling water.
more water inlet High pressure drop Low quality Product It is better to have a discharge line for the
flow excess amount.
less water inlet No sufficient cooling Low quality Product It is recommended to have a standby source of
flow cooling water.
179 | P a g e
4. PIPING DESIGN
1. INTRODUCTION
Pump is a device that moves fluid by a mechanical energy from one point to another. There
are three types of pumps which are direct lift, displacement and gravity pumps. On other hand,
compressor is a mechanical device that increase the pressure of gas by reducing the volume.
Pumps and compressor are similar both of them increase the pressure of the fluid inside the
pipes Heat integration is applied to reduce the cost for the external utilities (heating utilities
and cooling utilities). We have several hot streams to be cooled also we have several cooled
streams to be heated. The concept of heat integration is to transfer heat from the hot streams to
the cooled streams before the external utilities are used.
A. PUMPS AND COMPRESSOR
- Design of the pump (P-701)

( )
.
The required data were the density, flow rate, and the pump efficiency. The efficiency
had been assumed with value of 75%. The details of the calculation are shown below:
= 0.2478
P (in) =1 atm =1.01325 bar; p (out) = 2 atm =2.0265 bar
( )
Power (Kw) =
Net positive suction head (NPSH) of a pump must be in excess of a certain number, depending
upon the kind of pump and conditions, if damage to be avoided.
180 | P a g e
Common rang is 1.2-6.1m of liquid (4-20 ft.)
Pump may be damaged if certain limits on Ns are exceeded, and the efficiency is best in some
ranges.
Centrifugal pump : single stage for 0.057 -18.9 m3/min (15-5000gpm ),152 m(500ft)
maximum head; multistage for 0.076 -378 m3/min (20-11000gpm ),167 m(500ft) maximum
head. Efficiency 45% at 0.378 m3/min (100gpm), 70% at 1.89 m3/min (500gpm), 80% at 37.8
m3/min (10000gpm)
- Design of the compressor ( C-701)

Assume ideal diatomic gas:
( )
181 | P a g e
Summary for pump and compressor design calculation
Table 41:Pump and compressor
Equipment P-701 C-701
Efficiency 0.75 0.7
Flow Rate kmole/h 123.90 1778
Flow Rate kg/h 13130.00 51290000
Density 826.50 29
(KP) 100.00 100
Shaft work by calculation 0.56 1341.3

(KW)
Shaft work HYS 0.59 1250
(KW)
Error % 5.00 5.12
Type centrifugal pump Centrifugal
Material of construction Stainless steel Stainless steel
B. PIPES DESIGN
To calculate the optimum diameter of a pipe, the velocity which results from dividing the
actual volumetric flow rate by the area and the heuristic velocity should be calculated. Also,
the thickness of a pipe can be calculated by knowing the optimum diameter, the pressure and
temperature of the fluid in the pipe. We have about 21 process streams in our unit and their
diameters and thicknesses were calculated. A Sample calculation was performed on stream
182 | P a g e
number "1" to show and explain how the diameter and the thickness of a pipe can be
determined.
Theory for Piping Design

The actual velocity of a fluid in a pipe can be determined using the following equation:
( )
Where:
Q is the volumetric flow rate in (ft3/s)
A is the area in (ft2) = , where D is (ft)
The heuristic velocity of a fluid in a pipe can be determined using the following
equations:
For liquid pump suction:
( )
For liquid pump discharge:
( )
For stream or gas flow
( )
Where: D is the diameter in (in)
The wall thickness of the pipe can be determined using the following equation:
183 | P a g e
Where:
t is the wall thickness of the pipe (in)
P is the internal working pressure (bar)
S is the allowable stress (bar) for carbon steel S=690 bar)
The schedule number of the pipe is taken as 40.
Theory of the Pressure Drop
In order to calculate the pressure drop inside the pipes we need the following parameters:
Viscosity
Density
Volumetric flow rate
Diameter of the pipes
Surface Roughness
Length of the pipes
The procedures to calculate the pressure drop in circular pipes are the following:
The mean velocity, the Reynolds number and the roughness ratio are calculated
The friction factor fF is calculated based on the value of Reynolds number and the
roughness ratio.
Pressure drop for liquid is calculated from -
Pressure drop for vapor is(
184 | P a g e
Um is the mean velocity (
( )
D is the diameter (m)
Roughness ratio =
Where:
Where:
Re is the Reynolds number
(PA s) is the viscosity
{ [ ( )]}
Where is the friction factor
In our pips there is no difference between the inlet temperature and the exit temperature so
C. CALCULATION
The procedure is to assume a diameter, then, calculate the actual velocity, and the heuristic
velocity using one of the three equations. After that, subtract the heuristic velocity from the
actual velocity. If the result is positive, we keep assuming diameters until the difference is
negative, then, we stop assuming.
185 | P a g e
- Sample calculation was performed for stream number (1)
Diameter of the pipe
( )
Assume: D = 4 (in) = 0.33333 (ft.)
As we can see the difference is positive, so, we should assume bigger diameters until the
difference becomes negative.
Assume: D = 5 (in) = 0.41667. (Ft.)
So, the optimum diameter is: D = 0.417 (ft.) = 5 (in)
Wall thickness of the pipe

The allowable stresses of the pipes which are chosen to be carbon steel is 690 bars for stream
number (1):
186 | P a g e
Summary of pipe Diameter design calculation
Table 42:pipe diameter results
Stream nominal size D(in) inside D(in) thickness Schedule

number
1 5 5.047 0.003623 40
2 5 5.047 0.003623 40
3 4 4.026 0.002899 40
4 5 5.047 0.007246 40
5 4 4.026 0.005797 40
6 3 3.068 0.004348 40
7 5 5.047 0.007246 40
8 5 5.047 0.007246 40
9 5 5.047 0.006884 40
10 5 5.047 0.003623 40
11 5 5.047 0.004094 40
12 4 4.026 0.002899 40
17 5 5.047 0.003623 40
18 5 5.047 0.003623 40
19 5 5.047 0.003623 40
20 1 1.049 0.000725 40
21 2 2.067 0.001449 40
187 | P a g e
- Calculation for the pressure drop stream number 1
Stream#1 has the following parameters
=0.0007531
D= 0.127 m
From heuristic we found that, the minimum distance between each piece of equipment is 30 m
First of all, Um, Re and were calculated from the equations
Um=
Since Re=39120 our flow is turbulent flow.
{ [ ( )]}
For liquid stream -
Our pipes are horizontal pipes so
- ( )
188 | P a g e
Summary for pressure drop design calculation
Table 43: Pressures drop design resutles
Stream Q(m^3/s) ID(m) (kg/m^3) (Pa s))

1 0.003406 0.127 865.6 0.000753
2 0.004131 0.127 826.5 0.000463
3 0.016472 0.1016 1.164 1.88E-05
4 0.004131 0.127 826.5 0.000463
5 0.016472 0.1016 1.806 2.27E-05
6 0.004131 0.0762 5.173 1.04E-05
7 0.0206 0.127 1.923 2.42E-05
8 0.0206 0.127 1.421 3.01E-05
9 0.020089 0.127 1.113 3.02E-05
10 0.020089 0.127 1.841 2.36E-05
11 0.004981 0.127 1101 0.000802
12 0.015106 0.1016 1.259 1.72E-05
17 0.002454 0.127 952 0.00023
18 0.002528 0.127 954 0.000366
19 0.002401 0.127 931 0.000348
20 0.000125 0.0254 1223 0.000399
21 0.000724 0.0508 5.157 0.000236
u (m/s) Re / ID P/L P (Pa) a atm

kg/(m^2
s^2)
189 | P a g e
0.268838 39242.71 0.000046 0.000362 0.00581 11.44719 343.4156 0.003389
0.32607 1877230 0.000046 0.000362 0.003974 10.99872 329.9616 0.003256
2.031772 324637.2 0.000046 0.000453 0.00446 0.843713 25.31139 0.00025
0.32607 1878041 0.000046 0.000362 0.003974 10.99862 329.9586 0.003256
2.031772 417704.8 0.000046 0.000453 0.004385 1.287117 38.61351 0.000381
0.905751 874504.2 0.000046 0.000604 0.00448 0.998115 29.94346 0.000296
1.626185 416326.5 0.000046 0.000362 0.004238 0.678764 20.36291 0.000201
1.626185 248060.6 0.000046 0.000362 0.004427 0.523944 15.71831 0.000155
1.585837 188719.5 0.000046 0.000362 0.004556 0.401667 12.05001 0.000119
1.585837 399060.4 0.000046 0.000362 0.004251 0.61987 18.5961 0.000184
0.39317 1742001 0.000046 0.000362 0.003981 21.33756 640.1269 0.006318
1.8632 351748.7 0.000046 0.000453 0.004435 0.763063 22.8919 0.000226
0.193712 2590961 0.000046 0.000362 0.00395 4.444559 133.3368 0.001316
0.199523 1677643 0.000046 0.000362 0.003984 4.765555 142.9666 0.001411
0.189524 1634177 0.000046 0.000362 0.003987 4.198843 125.9653 0.001243
0.247074 488106.3 0.000046 0.001811 0.0058 68.187 2045.61 0.020189
0.35729 10095.45 0.000046 0.000906 0.008038 0.416656 12.49968 0.000123
190 | P a g e
D. HEAT INTEGRATION
Heat integration is applied to reduce the cost for the external utilities (heating utilities and
cooling utilities). We have several hot streams to be cooled also we have several cooled
streams to be heated. The concept of heat integration is to transfer heat from the hot
streams to the cooled streams before the external utilities are used. In addition, the main
objective of the heat integration reduce the cost of operation, energy consumption and
capital cost if it possible. In PFD process we have two heat exchangers, two reboiler and
two condenser. There many method for heat integration. The method that has been used is
the pinch method. This method will provide with the min amount needed for the heating
and cooling utilities.
Table 44:input Data
Strea Supply Target dT Heat Heat Strea Suppl Targe

m Temperatur Temperatur Min Duty Flow m y t Shift
Name e e Contri Type Shift
b
C C C kW kW C C
E-701 66.9 240 10 2473.000 2473.0 COLD 76.9 250.0
E-703 380 5 10 14153.00 14153. HOT 370.0 -5.0
0 0
R-701 290 292.5 10 9465.000 9465.0 COLD 300.0 302.5
C-701 113.4 97.76 10 8727.000 8727.0 HOT 103.4 87.8
R-702 203.5 205.8 10 8396.000 8396.0 COLD 213.5 215.8
C-701 97.84 97.29 10 8368.000 8368.0 HOT 87.8 87.3
The next coming graph and tables show the pinch analysis very clearly
The previous table shows the inlet and the outlet T for each heat exchanger. Furthermore, the
Delta-T minim was takes as 10 C. Also, it shows the cold and hot stream
191 | P a g e
Table 45:Temperature Interval
Shift Interval T(i+1)-Ti mCpnet dH
Temperature
C C kW/K kW
370
1 67.5 37.7413 2547.54 surplus
302.5
2 2.5 -3748.2587 -9370.6467 demand
300
3 50 37.7413 1887.0667 surplus
250
4 34.2 23.4548 802.1539 surplus
215.8
5 2.3 -3626.98 -8342.054 demand
213.5 pinch pinch
6 110.1 23.4548 2582.3728 surplus
103.4
7 15.56 581.4471 9047.3172 surplus
87.84
8 0.08 15795.9926 1263.6794 surplus
87.76
9 0.47 15238.0002 7161.8601 surplus
87.29
10 10.39 23.4548 243.6953 surplus
76.9
11 81.9 37.7413 3091.0152 surplus
-5
192 | P a g e
Infeasible Cascade Feasible Cascade
Hot Pinch 218.5 C
0 12476 Cold Pinch 208.5 C
2547.54 2547.54
2547.5 15023 Min Hot Utility 12475.94 kW
-9370.65 -9370.647 Min Cold Utility 23389.94 kW
-6823.1 5652.8
1887.067 1887.067 SINGLE PINCH PROBLEM
-4936 7539.9
802.1539 802.1539
-4133.9 8342.1
-8342.05 -8342.054
PINCH -12476 0
2582.373 2582.373
-9893.6 2582.4
9047.317 9047.317
-846.25 11630
1263.679 1263.679
417.43 12893
7161.86 7161.86
7579.3 20055
243.6953 243.6953
7823 20299
3091.015 3091.015
10914 23390
Figure 31: cascade table
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Figure 32 :compostie curve
The previous graph is called the cascade and it help to now the min cooling and heating
utilities. The pinch point is 213.5 C.the min cooling 23389.94 kW and the min heating is
12475.94 kW
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Figure 34:shifted composite curve
Grand
composite
carve
Figure 33:Grand curve
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Figure 35:Grid Curve
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E.PLANT LAY OUT
The definition Plant Layout is the physical facilities arrangement for example equipment,
tools, working Machines, furniture etc. The plant layout can be explained on a floor plan that
shows how much the distances between different features of the plant are far away from each
other. The main goal of plant layout is to design a physical arrangement that most
economically meets the required output quantity and quality.
There are many ways to plan the layout of plant, but there are several points should be
Taken into account when designing the plant layout:
Suitable and efficient utilization of available floor space.
b) To make sure that work takings from one point to another point without any
Interruption.
c) Shrink material handling costs.
d) Provide enough production capacity.
e) Reduce hazards to personnel.
f) Utilities labour efficiently.
g) Increase employee morale.
h) Reduce accidents.
Provide for volume and product flexibility.
j) Provide ease of supervision and control.
Reducing manufacturing costs through improved plant layout is an effective way to improve
profitability.
IMPORVED PLANT LAYOUT = INCREASED PROFITAB
The plant piping layout is designed to accommodate all process units in the PFD inside a
confined rectangular space of 180meters by 40 meters. The plant area is divided into three
sections.
Section one Section two Section three

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Feed preparation Reaction zone Separation zone
The first section includes the feed areas of o-xylene and air, the feed mixing and fired heater.
The second section contains the rector and the switch condenser. The third and final section is
for the first and second distillation column to separate the mixtures to desired product and
after that send it to storage area. The distance between each equipment was takes as 30 m. The
next figure show how the area the plant is devided and organized area.
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Figure 36 : Factory Area
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This figure shows the plant area and the distance between each equipment is takes as 30
Figure 37: plant layout
2. SUMMARY
In our plant, we found that the power of the pump and the compressor are 0.59 Kw and 13413
Kw respectively. Also, we design the pipes since we know the flow rate of the streams and the
diameters for the streams were found in range of 1 in to 5in with deferent thickness. Also, we
did the calculation to determine the pressure drops in each steams which were very small.
Finally the heat integration is done for whole plant and we found that Q (min) heating =12475
Kw and Q (min) cooling=23389 Kw.
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3. HAZOP ANALYSIS
Unit: PUMP (P-701)
Node: Feed (STREAM 4)
Parameter: PRESSURE DROP
Table 46:HAZOP ANALYSI
Guide Deviation Cause Consequence Action

Word
Very High Very High Failure in Pump Unwanted Outlet Install a spare
Pressure Control Stream Properties Pump for
Emergency
Pressure Deficient Control Regular inspection
Transmitter System of Instrumentation
Faulty
Very Low Very Low Pump Tripping Low quality Perform Regular
Pressure Product Maintenance and
provide spare
Pump
No Inlet Flow Pump Damage Inspect the
due to low liquid Distillation Column
entrainment in and its Effluent
Distillation
Column Trays
201 | P a g e
ECONOMIC
ANALYSIS
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1. INTRODUCTION
This area of design project is used to determine a full detailed analysis for the economics of
the project in relation to the Cost of Manufacturing (COM) for the Phthalic anhydride project.
This analysis covers the three major costs for the plant; Direct Manufacturing Cost (DMC),
Fixed Manufacturing Costs (FMC) and General Expenses (GE). The determination of these
items requires the analysis of several costs including the Fixed Capital Investment (FCI), the
cost of operating labor (COL), Cost of utilities (CUT), cost of waste Treatment (CWT) and the
cost of raw materials (CRM). The cash flow diagram is to be utilized to present the cost in
relation to the production profitability. In this analysis we make use of the cost analysis Excel
implemented CAPCOST, where the total bare module cost (CBM), total module cost (CTM)
and fixed capital investment (FCI) are to obtained from this software package.
A. OPERATING LABOR COST

Assumptions:
Average total working period of single operator is 49 weeks/year.
3 weeks of vacation are off and sick leave.
Cost of Labor:
5 shifts/week for single operator and 245 shifts/year.
Since the plant is operating all year, (3 eight hours shift X 365 days) = 1095 shifts are required
per year.
The number of operators needed to fill 1095 shifts is (1095 shifts/245 shift) = 4.5 operators.
The number of non-particulate steps in the formaldehyde plant:
Nnp = equipment = 1 comp esso + 3 towe s + 1 eacto + 1 fi ed heate + 11 exchange s =

17
The number of operators per shift (NOL) is as follows:
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Operating labor = (4.5)*(3.1 37) = 14.37 15 ope ato s.
Assume: for single operator or $ 59580/yr.

Total Operating Labor Cost= 15 * 59580 = $ 893700/yr.
B. SAMPLE CALCULATION FOR EQUIPMENTS

Distillation column 701 :(vessel+trays)
- Vessel : D=1.67m , L=9.57m
Volume =
(k1=3.4974 , k2=0.4485 k3=0.1074
CBM=CPo *(B1+B2*Fm*Fp) , Fp=1 (1bar) B1=2.25 B2= 1.82 , Fm= 1(carbon steel)
CBM = $121,363
- Trays:
Area =
(k1=2.9949 , k2=0.4465 k3=0.3961
CBM = Cpo *N*FBM *Fq

Fq= 1.04 , FBM=1 , N=19
CBM = Cpo *N*FBM *Fq = $48,233
CBM total = $169,595
204 | P a g e
- Pump 701:
Shaft power(SP) =
(k1=3.3892 , k2=0.0536 k3=0.1538)
CBM=CPo *(B1+B2*Fm*Fp) , Fp=1 (1bar) B1=1.89 B2= 1.35 , Fm= 2.2 (SS)
CBM = $18,439
- Compressor 701
fluid power(FP) =
(k1=2.2897 , k2=1.3604 k3=-0.1027)
CBM=CPo *FBM , FBM 2.8 (CS)

CBM = $1,106,000
- Heat exchanger 701 A

Area =
(k1=4.8306 , k2=-0.8509 k3=0.3187
CBM=CPo *(B1+B2*Fm*Fp) , Fp=1 (0.1bar) B1=1.63 B2= 1.66 , Fm=1.4 (SS)

CBM = $112,369
- Vessel 101:
D=0.99 m , L=3.96
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Volume =
(k1= 3.4974 , k2= 0.4485 k3= 0.1074
CBM=CPo *(B1+B2*Fm*Fp) , Fp=0.7 (1.13bar) B1=2.25 B2= 1.82 , Fm= 1(carbon steel)
CBM = $30,232
- Vessel 701: D=0.9090 m , L=2.273

Volume =
k1= 3.5565 , k2= 0.3776 k3= 0.0905
CBM=CPo *(B1+B2*Fm*Fp) , Fp=1 (1.bar) B1=1.49 B2= 1.52 , Fm= 1(carbon steel)
CBM = $19,598
C. ECONOMICAL ASSESSMENT
In the course of estimation the capital cost of the Phthalic anhydride plant, two material of
construction are used. Both, Carbon steel MOC and Stainless Steel MOC is used for material
construction. Stainless Steel is expensive relative to Carbon Steel and excellent for safe and
risk-free operation .while , the carbon steel is relatively cheap and good for plant operability.
In addition ,it also has moderate reactivity to metallic anhydride . Stainless Steel is highly
resistant to corrosion from Phthalic anhydride at elevated temperatures.
The following is a detailed study for Fixed Capital Cost with the use of CAPCOST.
206 | P a g e
Table 47:Cost Analysis
Cost Analysis
Total Bare Module Cost (CBM) By CAPCOST $8,082,200
Total Module Cost (CTM) By CAPCOST $9,536,996
Grassroots Cost or Fixed Capital By CAPCOST $12,416,846
Investment (FCI)
Grassroots Cost or Fixed Capital By CAPCOST $ 12,553,427
Investment (FCI) + Catalyst +
Molten salt
Contingency Cost 0.15 CBM $1,212,330
Fees Cost 0.03 CBM $242,466
Cost of Manufacturing Without 0.180 FCI + 2.73 COL + 1.23(CUT + $184,226,410
Depreciation (COMd) CWT + CRM)
Cost Item Equation Used for Calculation Value ($)
Direct Manufacturing cost
Raw Materials CRM $111,746,761
Waste Treatment CWT $14,726,726
Utilities CUT $19,483,417
Operating Labor COL $ 893,700
Direct Supervisory and Electrical 0.18 COL $160,866
Labor
Maintenance and Repairs 0.06 FCI $753,206
Operating Supplies 0.009 FCI $112,981
Laboratory Charges 0.15 COL $134,055
Patents and Royalties 0.03 COM $5,564,452
Fixed Manufacturing Cost
Depreciation 0.1 FCI $1,255,343
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Local Taxes and Insurance 0.032 FCI $401,710
Plant Overhead Costs 0.708 COL + 0.036 FCI $1,084,663
General Manufacturing Expenses
Administration Costs 0.177 COL + 0.009 FCI $271,166
Distribution and Selling Costs 0.11 COM $20,402,993
Research & Development 0.05 COM $9,274,087
Figure 38:Equipment Summary
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Figure 39:Equipment Summary
Figure 40:cost of raw materials
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Economic Options
Cost of Land $ 1,000,000
Taxation Rate 3%
Annual Interest Rate 10%
Salvage Value $ 1000000
Working Capital $12,100,000
FCIL $ 8,830,000
Total Module Factor 1.18
Grass Roots Factor 0.50
Economic Information Calculated From Given Information
Revenue From Sales $188,127,880
CRM (Raw Materials Costs) $ 111,746,761
CUT (Cost of Utilities) $19,483,417
CWT (Waste Treatment Costs) $14,726,726
COL (Cost of Operating Labor) $893,700
Factors Used in Calculation of Cost of Manufacturing (COMd)
Comd = 0.18*FCIL + 2.76*COL + 1.23*(CUT + CWT + CRM)
Multiplying factor for FCIL 0.18
Multiplying factor for COL 2.76
Facotrs for CUT, CWT, and CRM 1.23
COMd $ 183,583,004
Factors Used in Calculation of Working Capital
Working Capital = A*CRM + B*FCIL + C*COL
A 0.10
B 0.10
C 0.10
Project Life (Years after Startup) 10
Construction period 2
Distribution of Fixed Capital Investment (must sum to one)
End of year One 60%
End of year Two 40%
Table 48: Economic option
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Cash Flow Diagram
10.0
Project Value (millions of
5.0
0.0
dollars)
-5.0
-10.0
-15.0
-20.0
-25.0
-1 0 1 2 3 4 5 6 7 8 9 10 11 12 13
Project Life (Years)
Table 49: cash flow diagram
Table 50:Cash Flow Analysis
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212 | P a g e
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D. DECISION FOR CONSTRUCTION
Based upon the previously conducted study for the estimation of the capital cost for the
const uction of the plants equipment using ca bon steel & stainless steel, a decision has been.
This decision is based upon the following items:
Total Bare Module Cost:
The project costs $ 186,266,122. The ROR for the CS model is 20% and the discounted PBP
is 7.5 years.
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Salvage Value:
Carbon steel has a moderate resistance to corrosion by Phthalic Anhydride at elevated
temperatures. This requires regular maintenance and reduces the life time of the equipment.
Stainless steel is much more durable to corrosion and increases the life time of the plant. This
has an impact on the sal age alue at the end of the plants lifetime. The inc ease of tainless
Steel salvage value over the carbon steel adds to the strong suits of the SS model to be chosen
for the material of construction.
215 | P a g e
CONCLUSION
The senior project design was accomplished to detailed design for the PRODUCTION OF
PHTHALIC ANHYDRIDE FROM O-XYLENE. It includes all plants design aspects from
literature review on the phthalic anhydride till economic feasibility. Detailed mass and energy
balances were carried out including the reaction area which was our second task. The third
task was using the simulation program (ASPEN HYSYS) to obtain accurate view all plants
operations. The fourth task was to design in details plants equipment which are: (Reactor,
Heat exchanger, Distillation column including reboiler, condenser as well as reflux drum and
piping and layouts). The final task was estimation of the economic feasibility of the
production of phthalic anhydride.
All thanks and appreciation is for prof. Shawabkeh who helped us during the entire
semester in our senior project design.
216 | P a g e

Production of Phthalic Anhydride From O-Xylene

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Production of Phthalic Anhydride From O-Xylene

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King Fahd Unvesity of Petroleum and Minerals

College of engineering sciences and applied engineering

Department of Chemical Engineering

CHE 495: Integrated Design Course

Production of Phthalic Anhydride

Dr. Reyad Shawabkeh

May 18th, 2014

1- Mass balance. 2- Energy balance. 3- Hysys simulation of the Process.

Phthalic Anhydride ( ) is obtained from oxidation of o-xylene or naphthalene in

In this project, Phthalic Anhydride would be produced through a catalytic oxidation

The reaction is highly exothermic with a conversion of 63 % in the first reaction, 7% in

M.W. Boiling Melting Hv

O-xylene C8H10 106.17 144.4 -24 36.24

Phthalic Acid C8H6O4 166.13 --- 210 ---

Phthalic Anhydride C8H6O3 148.12 284 131 - 134 52.1

Maleic Anhydride C4H2O3 98.06 202 52.8 49.1

Vanadium Pentoxide V2O5 181.88 1750 670 ---

Water H2O 18.02 100 0 40.66

Air --- 28.85 -194.5 --- ---

Nitrogen N2 28 -195.80 -210 5.57

Oxygen O2 32 -182.96 -218.79 6.82

Hydrogen H2 2.02 -252.7 --- 0.90

Carbon Monoxide CO 28.01 -191.5 -205.02 6

Carbon Dioxide CO2 44.01 -56.6 -78.5 16.4

Figure 1: Initial Block Diagram of the Process

C10H8 + 4.5O2 C6H4(CO)2O + 2H2O + 2CO2

Figure 2: O-xylene capacity by region worldwide

6. KINETIC DATA FOR THE PROBLEM

The rate expression is:

Where p is a partial pressure in atm, and the suffix xy refers to o-Xylene.

(given that k0 = 1 kmole hr-1(kg catalyst)-1atm-2, R = 1.987 cal/K mole, and T is in K)

o xylene CO2 (3)

The rate expression is: r3 k3 pxy po2

7. SAFETY & ENVIRONMENT PRECAUTIONS

Table 3: Some characteristics of Phthalic anhydride:

Table 4: Some characteristics of o-xylene

Table 5: Some characteristics of maleic anhydride

8. PRELIMINARY COSTS OF MATERIALS

Table 6: Cost of materials used and produced in the process

Materials PELEMINIARY COST

Definitions of all abbreviations used in our calculations:

MA: maleic anhydride

CO2 : carbon dioxide

Information provided in the statement problem:

Overall mass balance:

Component mass balance:

(Drecycled * 1) + (nf * 1) = (n1 * 1)

nf = 100- 25.05 =74.95 kmol /hr

A. Material Balance around the mixing point:

Mixing xxy = 0.065

B. Material Balance around the Reactor:

Number of unknowns = 7 ( n1, n2, n3, n4, n5, n6, n7)

Number of atomic species = 3 (O2, H2, C)

Number of independent species = 1 (N2)

1- Unreacted o-xylene = 25%

2- Conversion of phthalic anhydride = 63%

3- Conversion of maleic anhydride = 5%.

- Extent of reaction method:

n2 = 302.08 - 31 7.52 10.53

n1 = 100 1 2 3 n1 = 100 63 5 7 = 25 kmol/hr C8H10

n2 = 302.08 - 31 7.52 10.53 n2 = 302.08 (3*63) (7.5*5) (10.5*7) = 2.08

n4 = 31 + 42 + 53n4 = (3*63) + (4*5) + (5*7) = 244 kmol/hr H2O

n6 = 42 + 83 n6 = (4*5) + (8*7) = 76 kmol/hr Co2

n2 = 302.08 - 31 7.52 10.53 n2 = 302.08 (363) (7.55) (10.5*7) = 2.08

n4 = 31 + 42 + 53n4 = (363) + (45) + (5*7) = 244 kmol/hr H2O

n6 = 42 + 83 n6 = (45) + (87) = 76 kmol/hr Co2

Cp (cal/molK) = a + bT + cT 2 + dT3 T in (K)

Cp (cal/molC) =41.69 + 7.77310-2 T T in (C)

P = X PHPsat + X MAPsat + X OX *Psat

P= [(0.677)( )+( 0.0538)( ) )+( 0.269)*( )

760mmHg = [(0.677)( )+(0.677)( )

760mmHg = [(0.0207)( )+(0.161)( )+

Pbottom = X PHPsat + X MAPsat

Pbottom = [(0.999)( ) + (0.001)( )

456mmHg= [(0.999)( )+(0.001)( )

](0.161)+ [ ](0.0207)= 88.27 KJ/mol