Process Simulation Study Using CHEMCAD Software For The Separation Columns For Linear Alkyl Benzene (LAB) Plant

PROCESS SIMULATION STUDY USING
CHEMCAD® SOFTWARE FOR THE

SEPARATION COLUMNS FOR LINEAR ALKYL
BENZENE (LAB) PLANT
A THESIS
Submitted to the Chemical Engineering Department,
College of Engineering,
University of Tikrit
In Partial Fulfillment of the Requirements for the
Degree of Master of Science in Chemical Engineering
By:
Omar Saaed Lateef
(B.Sc. Chem. Eng.)
Supervisor:
Dr. Zaid A. Abdel Rahman
2006 A.D 1427 A.H

CERTIFICATE OF SUPERVISOR
I certify that this thesis has been prepared under my supervision as a

partial fulfillment of the requirements for the degree of Master of Science in
Chemical Engineering at the chemical engineering , College of Engineering,
University of Tikrit.
Signature:
Name: Dr. Zaid A. Abdel-Rahman

Supervisor
In view of that available recommendation I forward this thesis for

debate by the Examining Committee.
Signature:
Name: Dr. Ahmed S. Othman
Assistant professor
Head of Chemical engineering Department
Date: / / 2006
EXAMINERS CERTIFICATE
We certify that we have read this thesis and as Examining Committee

examined the student in its contents and that in our opinion, it meets the
standard of a thesis for the degree of Master Science in Chemical
Engineering.
Signature: Signature:
Name: Dr.Riadh H. Hasan Name: Dr. Duraid F. Ahmed

Member Member
Signature: Signature:
Name: Dr. Zaid A. Abdel-Rahman Name: Dr.Abdul Mun'em A. Karim

Member (Supervisor) Chairman
Approve by the council of the college of engineering
Signature:
Name: Dr. Farouk M. Mahdi
Assist Professor
Dean of Engineering College
Date: / / 2006
ACKNOWLEDGMENTS
In the name of ‘Allah’ most gracious most merciful

Before anything, I profusely thank ‘Allah’ who enabled me to complete this
humble work.
I would like to express my sincere appreciation and deep gratitude to my
supervisor Dr. Zaid A. Abdel Rahman for his continuous help, active
encouragement, invaluable advice and suggestions.
Special thanks for the Chemical Engineering Department of the College of
Engineering in Tikrit University.
Special appreciation is expressed to the teaching staff during the courses of the
first year of M.Sc. study, especially Dr. Abdul Mun'em A. Karim, and Dr. Ameer M.
Hameed, for their continual encouragement in the Chemical Engineering
Department.
Deep appreciation and gratitude expressed to all friends who helped me,
especially my colleague Lateef A. Ibraheem, for their valuable and continual help
during the study.
Deep appreciation and gratitude expressed to engineering staff in
Arab Company for Detergent Chemicals (ARADET),
Finally special thanks for Iraqi Youth & Student Organization.
i
SUMMARY
CHEMCAD process simulation software was used for the analysis of the
existing linear alkyl benzene (LAB) production plant (Arab Detergent Company,
Beiji-Iraq), especially the major separation columns which are; HF-stripper,
Benzene column, Paraffin column, & Rerun column.
Simulated columns performance curves were constructed. The variables
considered in this study are the thermodynamic model option, top and bottom
temperatures, feed temperature, feed composition & reflux ratio.
Also simulated columns profiles, temperature, vapor & liquid composition, were
constructed, using different thermodynamic models options.
Four different thermodynamic models options (SRK, TSRK, PR, and ESSO
equation of states) were used, affecting the results within 1-25% variation for the
most cases.
For HF-stripper (21 real stages, feed stage 1), the simulated results show that
about 5% of paraffin (C10 & C11) presents at the top stream which may cause a
problem in the LAB production plant. The major variation was noticed for the total
top vapor flow rate with bottom temperature(from about 7000 kg/hr to 19000 kg/hr
with the 30 oC difference of bottom temperature) and with feed composition(from
10000 kg/hr to 4500 kg/hr). The column profiles maintain fairly constants from tray
5 (immediately below feed) through tray 18 (immediately above reboiler). These
trays can be removed without severely affecting the column profile.
For Benzene Column (32 real stages, feed stage 14), the simulated results
show that bottom temperature above 200 oC the weight fractions of top
components, except benzene, increases sharply, whereas benzene top weight
fraction decreasing sharply. Also, feed temperature above 180 oC shows same
trends. The column profiles remain fairly constant from tray 3 (immediately below
condenser) to tray 10 (immediately above feed) and from tray 15 (immediately
below feed) to tray 25 (immediately above reboiler).
ii
For paraffin column (38 real stages, feed stage 16), the simulated results show
that bottom temperature above 240 oC is not recommended because the total
bottom flow rate decreases sharply, whereas the weight fractions of paraffins
decrease slightly.
For rerun column (two packing sections, feed 2nd section) the simulated results
show that critical change of bottom temperature effect was noticed for the bottom
flow rate decrease from about 2500 kg/hr to 150 kg/hr for bottom temperature
increase from 185 oC to 195 oC.
Simulation of the four columns in LAB production plant using CHEMCAD
simulator, confirms the real plant operations data, specially with the top
temperature and total top and bottom flowrate (with in 10% variation). High
deviation of simulated top and bottom components weight fractions with plant
values were noticed.
iii
NOMENCLATURE
a p.s: Interfacial area, packing surface, (m2/m3)

B : Bottom product (kg/hr)
BL : Liquid product from reboiler (kg/hr)
BV : Vapor product from reboiler (kg/hr)
do: Hole diameter of tray, (mm)
D : Top product (kg/hr)
DL : Liquid product from condenser (kg/hr)
D rec.: Rectifying section diameter, (mm)
D str.: Stripper section diameter, (mm)
DV : Vapor product from condenser (kg/hr)
Fj
: Feed flowrate on stage no. (j) (kg/hr)
HF j
: Feed enthalpy (MJ/hr)
H lB : Total liquid enthalpy of bottom product (MJ/hr)

H lD : Total liquid enthalpy of top product (MJ/hr)
H lj
: Liquid enthalpy on stage no. (j) (MJ/hr)
H l , N −1 : Total liquid enthalpy on bottom stage (MJ/hr)
H v ,1 : Total vapor enthalpy on condenser (MJ/hr)
H vB : Total vapor enthalpy of bottom product (MJ/hr)

H vD : Total vapor enthalpy of top product (MJ/hr)
H vj
: Vapor enthalpy on stage no. (j) (MJ/hr)
KiB : Constant of thermodynamic option on reboiler

K iD : Constant of thermodynamic option on condenser
K ij : Constant of thermodynamic option over any stages
L0 : Total liquid flowrate refluxed to top stage (kg/hr)

L j −1
: Total liquid flowrate out put from stage no. (j-1) (kg/hr)
L j : Total liquid flowrate out put from stage no. (j) (kg/hr)
LN −1 : Total liquid flowrate to reboiler (kg/hr)

L p1: 1st section packing height, (mm)
L p2: 2nd section packing height, (mm)
L str.: Stripper section length, (mm)
iv
n : Number of component
N min . : Minimum number of stages
P : Pressure, (Kpa)
PL j : Liquid product from stage (j)
PV j : Vapor product from stage (j)
Q C : Condensed duty, (MJ/hr)

Q R : Reboiler duty, (MJ/hr)
R : Reflux Ratio (ratio of liquid refluxed to the distillate rate)

Rmin .
: Minimum Reflux Ratio
vf : Vapor fraction
V1 : Total vapor flowrate input to condenser (kg/hr)

V j : Total vapor flowrate input to stage no. (j) (kg/hr)
V j +1
: Total vapor flowrate input to stage no. (j+1) (kg/hr)
xBhk
: Weight fraction of heavy key in bottom product
x Blk
: Weight fraction of light key in bottom product
x Dhk : Weight fraction of heavy key in top product
x Dlk : Weight fraction of light key in top product
xiB : Liquid mole fraction of component (i) in bottom product

xiD : Liquid mole fraction of component (i) in top product
xi. F : Liquid mole fraction of component (i) in feed
xi , j −1
: Liquid mole fraction of component (i) in stage (j-1)
xij : Liquid mole fraction of component (i) in stage (j)
xi , N −1 : Liquid mole fraction of component (i) in bottom stage
yi ,1 : Vapor mole fraction of component (i) in condenser
yiB : Vapor mole fraction of component (i) in bottom product

yiD : Vapor mole fraction of component (i) in top product
yij : Vapor mole fraction of component (i) in stage (j)
yi , j +1 : Vapor mole fraction of component (i) in stage (j+1)
z ij
: Mole fraction of feed components
v
Greek Symbols
λ ij
: Activity Coefficient
α lk ,hk
: Relative volatility between the light key component and heavy key component
θ : Root of equation (2-3), where αhk ≤ θ ≤ αlk . , α hk are the relative volatilities of the key components
(light and heavy) in the calculation
Subscripts
i : Number of components
lk : Light key
hk : Heavy key
j : Number of stages
Abbreviations
ESSO: Maxwell-Bonnell Vapor Pressure Equation of state

FUG : Fenske-Underwood-Gilliand method
LAB: Linear Alkyl Benzene
LHSV: Liquid Hourly Space Velocity, hr-1
LLE: Liquid-Liquid Equilibrium
MESH : Material, Energy, Summation of composition and Heat balance equations
Pacol: Paraffin Converted to Olefin Unit
SRK: Soave-Redlich Kwong equation of state
P.R: Peng Robinson equation of state
TSRK: Extended Soave-Redlich-Kwong equation of state
VLE: Vapor-Liquid Equilibrium
vi
Chapter “1”:
Introduction
CHAPTER 1: INTRODUCTION
As with all other aspects of engineering as well as those in everyday living,

computer software use and utilization are now an ingrained and indispensable part
of process design and analysis. Computers ease and enhance the ability of the
process design engineer to carry out preexisting tasks, allowing for expansion on
previously manual tasks, as well as facilitate previously impossible tasks that have
now become part of the process design & evaluation process. Figure (1-1) shows
the role of software in process analysis & design.
Figure (1-1) The Role of Software in Process Analysis & Design. (1)
1
Process simulation is a computer representation of an individual unit
operation, or multiple connected units or an entire plant. It is applicable in different
fields of the process engineering; analysis of existing processes, synthesis of new
processes (design), and operator training (process dynamic startup & shutdown).
The authors of many chemical engineering textbooks added a chapter dealing with
process simulation & process simulation software (Process Simulators). (1-6)
Currently available modern process simulation software (Process Simulator) are
shown in Table (1-1).
Table (1-1) Current Modern Process Simulation Softwares
(Process Simulator). (1,5)
Process Source
Simulator
ASPENPLUS Aspen Technology Corp. , Cambridge , MA
CHEMCAD Chemstations , Houston , TX
HYSYS Hyprotech , Calgary , Alberta
PRO/II Simulation Sciences , Fullerton , CA
Major sections of typical process simulator are:

1. Unit operation (block) model library.
2. Physical properties & thermodynamic model selection.
3. General flowsheeting, steady state material and energy balance, recycle
processes, and dynamic processes.
The process simulation softwares (Process Simulators) consist of standard
chemical engineering relationships and models. These are material balance,
energy balance, kinetics relationships, equilibrium relationships and dynamic &
control relationships. Typically, steady state simulation involves the solution of
algebraic equations, while dynamic simulation involves the solution of ordinary
differential equations.
The disadvantage of commercial simulators is that they do not provide the
simulator's source code; the user must rely on closed black box for the unit
operation process.
2
To take advantage of the existing chemical plants in Iraq and those are near
Tikrit University for engineering process analysis research & development. Linear
Alkyl Benzene (LAB) production plant (Arab Detergent Company/Beiji-Iraq) which
contain cumulative field data of plant operation, are used as a case study using
process simulation. At first, the idea was to study various individual equipments,
starting with the major two reactors of the LAB production plant according to the
onion model (7), (Figure (1-2)). The two reactors are:
1. Vapor phase catalytic dehydrogenation reactor (Pacol Reactor), which
convert paraffin to olefin in presence of solid catalyst.
2. Liquid phase HF-Alkylation reactor for benzene & olefin reaction in
presence of HF as a catalyst, to produce linear alkyl benzene (LAB).
Because of the lack of the field information about the two reactors & the
difficulties of taking samples & chemical analysis, the major four distillation
columns in the plant were selected:
1. HF-Stripper Column.
2. Benzene Distillation Column (Benzene Column).
3. Paraffin Vacuum Distillation Column (Paraffin Column).
4. LAB Vacuum Distillation Column for (Rerun Column).
CHEMCAD (8) is a process simulation programmed for quick calculation and
simulation of chemical processes normally occurring in chemical, petrochemical,
pharmaceutical and environmental technology. Being an alternative to long-
lasting manually done calculations CHEMCAD provides time saving calculations
and simulations of small batch processes as well as large scale continuous
chemical plants. These provide the ideal tools to develop and optimize chemical
processes quickly and safely. With almost 50 unit operations (columns, reactors,
heat exchanger, compressor, valve, pump, cyclone, etc.), 20 thermodynamic
models (Peng-Robinson (PR), Soave-Redlich-Kwong (SRK), NTRL, UNIFAC,
etc.), almost 1900 chemical components, and 6000 binary data from the
DECHEMA data bank.
3
Figure (1-2) The Onion Model of Process Design. (7)
The database can be quickly and easily extended to include customers’ own
components and own measured data. Incremental methods like Lyderson-Joback
are available to estimate critical data, formation enthalpy and Cp values. Methods
for the prediction of pseudo components from boiling analyses and regressions of
measured data are also available. All data can be shown and plotted numerically
and graphically.
The calculation method for distillation in CHEMCAD is done to a high
standard in accordance with the matrix method. A quick convergence and short
simulation time is therefore guaranteed. In most cases the user need not be
concerned with the details of the internal calculation, this is done automatically by
CHEMCAD (8).
The purpose of the present study is the analysis of the existing four major
separation columns; HF-stripper, Benzene column, Paraffin column, and Rerun
column of LAB production plant (Arab Detergent Company/Beiji-Iraq) especially
using the process simulation software (CHEMCAD).
4
Chapter “2”:
LITERATURE
SURVEY
CHAPTER 2: LITERATURE SURVEY
2.1 LINEAR ALKYL BENZENE (LAB) PRODUCTION PLANT (9, 11)
Linear Alkyl Benzene (LAB) production plant (Arab Detergent
Company/Beiji-Iraq) is one of the existing chemical plants in Iraq and those are
near Tikrit University. The plant contains cumulative field data of plant operation;
make it suitable for use in process simulation for engineering process analysis
and research development. The plant represents two main processes, figure(2-1):
1. Pacol Process (paraffin dehydrogenation).
2. HF-Alkylation process
Major equipment specifications list of Linear Alkyl Benzene (LAB) production
plant (Pacol Process and HF-Alkylation process) are shown in Table (2-1).
2.1.1 UOP Pacol process
The UOP Pacol process is designed to take a feed stream of high purity,
normal paraffin and produce a corresponding mono-olefin product. Feed to the
Pacol unit must be free of impurities which could harm the platinum-containing
catalyst. The feed may contain as many as a four carbon number range of normal
paraffin components. This is normally a C10 to C13 or a C11 to C14 paraffin range.
The conversion of paraffin to olefin must be limited to levels so that
production of normal mono-olefins is maintained reasonably high. If the
conversion is raised too high, the undesirable reactions will also be increased.
This will lead to poor product quality. Therefore, a large amount of unreacted
paraffin must be recycled through the UOP Detergent Alkylation unit and back to
the feed of the UOP Pacol process. The reactions are more favorable in a low
pressure hydrogen environment at moderately high temperatures. A two-reactors
system is normally provided; one reactor is in service producing olefins while the
second reactor is waiting, full of fresh catalyst, to be placed in service when
needed. Catalyst life depends strongly on operating conditions; design catalyst
cycle life is normally about 30 to 45 days.
5
The desired product from a Pacol unit is generally a mixture of C10 to C13
or C11 to C14 normal mono-olefins. These olefins are then used by a UOP
Detergent Alkylation process unit to produce linear alkyl-benzene (LAB) by
reacting the olefins with benzene in presence of Hf as a catalyst.
LAB formation
H H H H
R − C = C − R' + ⎯⎯→
HF
R − C − C − R'
H
The feed to the Pacol unit comes from normal paraffin separation process
(such as the UOP Molex process) and must be properly hydrotreated and free of
potential Pacol catalyst poisons, such as sulfur and nitrogen compounds along
with fluorides and chlorides.
To favor the production of olefins, high temperatures (450-500 oC) and low
pressures are required. Catalyst stability considerations limit reactor temperature
levels, and safety consideration prevents the design below atmospheric pressure.
As a result, the process must be designed for low conversion operation. A
simplified reaction scheme for the normal paraffin’s in the Pacol feed is given as
follows:
Olefin formation
……………………………………. (A)
R − C − C − R' ↔ R − C = C − R' + H 2
Diolefin formation
……………………………… (B)
R − C − C = C − R' ↔ R = C − C = C − R '+ H 2
Aromatic formation R”
R = C − C = C − R' ↔ ……….…………………………… (C)
R”
Cracking
……………………………… (D)
R − C − C = C − R' ⎯+⎯⎯→ R − C − C + C − R'
2H2
Although normal mono-olefins (reaction A) are the desired product, the

high temperature, low pressure processing conditions will result some diolefin
6
and aromatic production (reaction B and C). Some cracking of olefins (reaction D)
will also occur. Although other reactions are certainly possible, such as
isomerization, they are very minor reactions.
At an LHSV (Liquid Hourly Space Velocity) of 28 hr -1, reactor outlet
pressure of 30 psig, and a linear paraffin conversion of about 9%, and
approximately 90 weight present of the linear paraffins which have reacted are
converted to linear mono-olefins having the same carbon range as the linear
paraffin charge. The other 10 weight present consist primarily of hydrogen,
cracked light ends, di-olefins, and iso-paraffins and iso-olefins also occur.
The plant performance is measured by the mono-olefin selectivity, paraffin
conversion to olefin, and catalyst life. The variable not totally independent of each
other in an improvement in selectivity and conversion by lowering the reactor
outlet pressure will shorten the catalyst life.
The plant performance variables are as follows:
Conversion is defined as:
weight of (C11 − C14 ) normal paraffin converted
weight of (C11 − C14 ) normal paraffin ch arg ed
Relative yield is defined as:

weight of (C11 − C14 ) mono − olefin producted
weight of (C11 − C14 ) normal paraffin converted
Catalyst life is defined as:

metric tons of linear alkylbenzene(LAB)
ki log ram of catalyst loaded
2.1.2 UOP HF-Alkylation Process

The HF Detergent Alkylation Process is a liquid phase catalytic process to
alkylate benzene with linear olefins to form linear alkyl benzene. The linear alkyl
benzene produced from the C10-C13 linear olefins are useful detergent
intermediates and can be readily sulfonated to yield linear alkyl benzene
sulfonates. During the 1940’s and 1950’s, the detergents market was primarily
captured by dodecyledbenzene (DDB), a product formed by alkylation of benzene
7
with propylene tetramer in a hard detergent alkylation unit. It was found, however,
that the branched structure of the alkyl group was responsible for the poor
biodegradability of the detergent and the linear alkyl benzenes (LAB) introduced
in the early 1960’s have substantially replaced their branched counterpart.
The unreacted normal paraffin’s are continuously recycled to the Pacol
feed after going through the alkylation section, while the n-olefins are completely
reacted in the alkylation reactors. It has been found that adjusting the Pacol
reactors to about 9% olefin conversion is the most economical way to operate the
units in terms of product quality and operating costs. The n-olefins produced in
the Pacol Unit are alkylated with benzene in the alkylation reactor in presence of
an HF acid catalyst to yield linear alkyl benzene. The reaction is carried through a
tow-stage reactor settler system. The reactor effluent proceeds to a series of
fractionation columns where the various compounds are separated, the remaining
reactants being recycled and products sent to storage. The first column is the HF
stripper, where HF is removed overhead with some benzene leaving the HF-free
components to flow off the bottom the “non-acid” part of unit. The rest of benzene
is then recycled to alkylation reactor from the overhead of the benzene column
and n-paraffin’s are recycled to the Pacol Unit from the overhead of the paraffin
column. Finally the rerun column slits the alkylate product into two streams: the
LAB overhead and the heavy alkylate bottoms (HAB). The n-paraffins are
alumina treated for removal of combined fluorides and returned to the Pacol Unit.
The purity of the HF acid is maintained high by continuously sending a split
stream to an acid regenerator column and returning the regenerated acid into the
system.
The product composition and quality is a function of various operating parameters
which are summarized in Table (2-1), and in the simplified block diagram of
Linear Alkyl Benzene (LAB) plant.
8
Table (2-1) Major Equipment Specification List of Linear Alkyl Benzene (LAB) Production Plant (Pacol Process and HF-
Alkylation process), (Arab Detergent Company/ Beiji-Iraq)
Equipment Description Notes

Pacol T=499 oC, P=235 Kpa -normal mono-olefins are the desired product,
F=70270 Kg/hr. the high temperature; low pressure
Reactors(O4) LHSV(LIQUID HURE SPACE VELOCITY)=28 hr-1 processing conditions will result in some
paraffin conversion=0.9% diolefin and aromatic production. Some
And more than 90% of the paraffin conversion yield mono-
olefin & the remained is the di-olefin, light hydrocarbon and cracking of olefins will also occur.
some of hydrogen Although other reactions are certainly
catalyst: possible, such as isomerization, they are
The catalyst is (1/16") spherical dehydrogenation very minor reaction.
catalyst of stabilized platinum on an alumina base.
(The catalyst generally comprises on element of
- The Pacol reactor is a radial flow design.
platinum group in a ratio of 0.01-2% wt respect of the The vapors from the charge heater enter
total (catalyst + carrier). the top of the reactor and are directed
3
volume of catalyst = 2.575 m , to the side wall of the reactor and down
weight of catalyst = 824 Kg, the outer basket through the catalyst bed
ρ catalyst = 0.32 (specific density) to the center pipe and through the center
pipe to the reactor outlet.
Dimensions: - The advantage of a radial flow reactor is the
H(reactor)=6710 mm, D=1700 mm
H(of basket)=3190 mm, Din=766 mm ,Dout=1250 mm low pressure drop.
Pacol Reactors T=36 oC P= 138 Kpa Standard flash separator to separate the
Product Fin=70270 Kg/hr, Fout(to coalescer)=13405 Kg/hr liquid product and the hydrogen-rich gas.
separator Fout(to stripper)=56858 Kg/h
Stripper(O4) DUTY BOILER= 4.97 MW - The purpose of the column is to remove all
TOP SECTION : T=152 oC , the light by-products from the paraffin-
P= 138 Kpa olefin reactor product.
The Pacol product stripper column typically - The column overhead vapor is cooled and
is a 30 tray with feed on tray 15. the liquid /gas mixture is collected the
Fin=56858 Kg/hr overhead receiver. The net off-gas is vented
Fout(top)=229 Kg/hr by the column overhead vapor pressure
Fout(bottom)= 56629 Kg/hr controller. The column reflux is controlled
by the overhead receiver level controller.
9
Table (2-1) Continued
1st stage D=2600mm,L=14600mm,Vertical - Operate liquid fully.
30 sieves tray - Contains sieve trays for good mixing between
alkylation's the phases.
T=38oC,P=101 Kpa
mixer (O5) - Most of reaction takes place before entering
F(hydrocarbon phase) =84234 Kg/hr
F(acid phase)=202111 Kg/hr the 1st stage mixer & that the reaction is
essentially complete at 1st stage mixer.
F(paraffin flush)=1664 Kg/hr
odd tray(No.1-29) 394 holes of do=13mm
even tray(No.2-30) 394 holes of do=13mm
tray spacing=450mm
tray thickness= 3.5mm
1st stage D=4900mm,L=18400mm,Horizontal - The settler is used to separate the

alkylation's T=38oC,P=1100Kpa hydrocarbon phase from the HF phase.
Fin=288009 Kg/hr - If the acid gets too dry, a fairly stable
settler (O5) emulsion may form & water should be added to
Fout(hydrocarbon phase)=85948 Kg/hr
Fout(acid phase)=202061 Kg/hr the acid to restore good settling.
nd D=2000mm,L=10400mm,Vertical - Operate liquid fully.
2 stage
- Contains sieve trays for good mixing between
alkylation's 14 sieveso
tray
the phases.
T=38 C,P=965Kpa
mixer (O5) - The 2nd stage mixer then is used to reduce
F(hydrocarbon phase)=85948 Kg/hr
F(acid phase)=209068 Kg/hr the bromine index of the final product, by
alkylation's of the traces of olefin still
F(paraffin flush)=1164 Kg/hr
unreacted.
odd trays(1~13) 409 holes of d0=13mm
even trays(2~14)409 holes of do=13mm
tray spacing=600mm
tray thickness=3.5mm
nd
2 stage D=4900,L=18400mm,Horizontal - Same as performance of 1st stage settler.
o
alkylation's T=38 C,P=895Kpa
settler (O5) Fout(hydrocarbon phase)=87585 Kg/hr
Fout(acid phase)=215068 Kg/hr
10
HF- D=900mm -The main purpose of the HF regenerator is to
14 bubble cup trays remove heavy unsaturated material contained in
regenerator the HF acid.
Tfeed=52 oC,Ttop=48oC,Tbotomt=175oC
(O5) -The heavy unsaturated material (polymer & tar)
Ptop=189Kpa,Pbottom=180Kpa, ∆Ptrays(total)=9Kpa
accumulate in the bottom while relatively pure
Fin(on tray 6)=651 Kg/hr HF goes overhead.
Fin(on tray 7)=1164 Kg/hr -Acid is charged from the first stage to tray 7
Fin(benzene)=1164 Kg/hr of the regenerator via the feed heater.
Fout(to Neutralizing)=269 Kg/hr -Cold acid is sent to the top of the
Fout(to non-condensable vent drum)=4801 regenerator to serve as reflux.
Kg/hr -Temperature indicators can also used to
20 bubble cups per tray indicate the regenerator bottom level because
tray spacing=450mm of the difference in temperature between the
liquid & vapor phase.
- The temp. Of the liquid at the bottom of the
regenerator should be maintained over 150oC to
avoid excessive loss of HF & benzene from the
bottom of the column.
-If water is present in the system, the bottom
liquid temp. should be lowered to prevent vaporizing
CBM (at 1atm the a zoetrope of 40%HF & 60%H2O boils
at 113oC)
-High acid & benzene losses & high corrosion rates
are inevitable when there is a high level of water
present in the system.
-It is essential for good operation of the HF
regenerator to have good distribution of the heat
input to this column.
-This distillation is fairly sensitive to changes in
liquid & vapor loadings in the column, and it is
best to operate the column at or near design
conditions.
11
HF-stripper D=2000mm -The HF stripper has a hot oil reboiler with
20 sieves tray, 21 stages(with reboiler) the hot oil flow controlled. If the HF stripper
(O5) is even allowed to cool down because of an
Tfeed=102 oC, Ttop=135 oC, Tbot =175oC,
Ptop=340 Kpa, ∆P trays(total)=20Kpa ,P bottom=360
emergency, acid that goes to the bottom of the
Kpa column can be re-circulated to the reboiler via
Reboiler duty=21356 MJ/hr jump over so that acid going forward to the
Fin=87585 Kg/hr benzene column is minimized.
Fout(top)=11832 Kg/hr -The over head vapor combine with the HF
regenerator overhead vapors, are condensed,
Fout(bottom)=75753 Kg/hr then go to the non condensable vent drum from
tray spacing=600mm which the liquid phase(HF+benzene) is pumped to
no. of holes=1260, do=13mm the HF settler
Benzene Dstripper section=2500mm -Standard distillation column,

column (O5) (18 trays,19 stages)below feed ,1942 holes
,do=13mm
Drectifying section=1400mm
(12 trays,13 stages)above feed ,1942 holes
,do=13mm
tray spacing=600mm
30 sieves tray, 32 stages(with reboiler and
condenser)
Tfeed=180oC, Tbot=225oC,Ttop=100oC
P top=200 Kpa, ∆P trays(total)=20 Kpa
Fin=75753 Kg/hr
Fout(top)=11489 Kg/hr
Fout(bottom)=63707 Kg/hr
Reflux Ratio( R )=1.1

paraffin Dstripper section=2800mm -the paraffin column is operated under
(21 trays,22 stages)below feed ,1942 holes
12
column (O5) ,do=13mm vacuum & there is a direct contact
Drectifying section=5600mm condenser in the top part of the column
(15 trays,16 stages)above feed ,1942 holes which consist of packet section.
,do=13mm -cold n-paraffin are continuously refluxed
36 sieves tray,38 stages on flow control after cooling in the
tray spacing=600mm paraffin column overhead cooler to the top
Tfeed=178 oC,Ttop=93oC,Tbottom=232 oC of this packing to condense the vapors that
Ptop=7 Kpa ,Pbottom=20 Kpa, ∆Ptrays =13 Kpa rise through chimney past the overhead
Fin=63707 Kg/hr accumulator located below the packed
Fout(top)=56579 Kg/hr section. some of the n-paraffin are
Fout(bottom)=7128 Kg/hr refluxed hot from the accumulator to the
Reflux Ratio( R )=0.5 tray 1 which is just below the accumulator
via a flow controller which is reset by the
accumulator level controller.
Rerun column D=2800 mm, -the rerun column is operated under vacuum.
(O5) Two packed sections 4600mm height one -it is a packed column containing a direct
above the feed and the other below the contact condenser in the top part of the
feed. column.
Packing column, metal pall ring D packed=50 -some loss of LAB with the heavy alkylate
mm must be accepted in order to have the
Tfeed=198 oC,Ttop=144 oC, Tbottom=191 oC linear alkyl benzene product meeting
Pfeed=370 Kpa, bromine index specifications, thus the
PTop=0.667 Kpa(Absolute),Pbottom =2.097 bottom stream generally contains about 10%
mmHg(absolute) LAB.
∆Ptrays & packing=1.43 Kpa
Fin=7128 kg/hr
Fout(top product LAB)=6510 Kg/hr
Fout(bottom product HAB)=618 Kg/hr
13
Benzene from storage
Benzene dryer
Paraffin from oxygen stripper
Paraffin from alkylation Alumina Treater
Paraffin purification
HF Alkylation : 1st stage

Paraffin & Hydrogen Liquid HF
Heat recovery
Hydrogen
Compressor
Feed fired heater HF Alkylation : 2nd stage HF regenerator
HF & Benzene recycle
HF stripper column HF neutralization

Dehydrogenation
reactor Benzene recycle
Benzene distillation Heavy polymer to furnace
Paraffin- Olefin Hydrogen to furnace Paraffin column

Condensation
LAB
Light gas to furnace LAB column

Light hydrocarbon
stripper Light gas to storage
HAB
Paraffin & olefin to alkylation
Paraffin recycle to PACOL
Figure (2-1): Simplified Block Diagram of Linear Alkyl benzene (LAB) plant.(11)
14
2.2 Process Simulation
Process simulation has become a core element of chemical engineering
education, and the simulation of existing chemical plants is an important area of
research and development (R & D). It is useful to study the performance of either
an individual unit operation, or multiple connected units or an entire plant.
The description of a typical process simulator has been covered in details
in the following sections.
2.2.1 The Structure of a Process Simulator (2)
There are six main features of all process simulators are illustrated in the
left-hand column of figure (2-2). These elements are:
1. Component Database—this contains the constants required to
calculated the physical properties from the thermodynamic models.
2. Thermodynamic Model Solver—a verity of options for vapor-liquid
(VLE) and liquid-liquid (LLE) equilibrium, enthalpy calculations, and
other thermodynamic property estimations are available.
3. Flowsheet Builder—this part of the simulator keeps track of the flow of
stream and equipment in the process being simulated. Often this
information can be both input and displayed graphically.
4. Unit Operation Block Solver—computational blocks or modules are
available that allow energy and material balances and some design
calculations to be performed for a wide variety of process equipment.
5. Data Output Generator—this part of the program serves to customize
the results of the simulation in terms of an output report. Often,
graphical displays of tower profiles, heating curves, and a variety of
other useful process data can be produced.
6. Flowsheet Solver—this portion of the simulator controls the sequence
of the calculations and the overall convergence of the simulation.
There are several other elements commonly found in simulators that are
not shown in figure (2-2). For example, there is file control options, the option to
15
use different engineering units, and possibly some additional features associated
with regressing data for thermodynamic models, and so on. The availability of
these other options is dependent on the simulator used.
Figure (2-2).The Structure of a Typical Process Simulator. (2)
2.2.2 Modular Based Process Simulators (5)

There are basically three types of solution algorithm for process
simulators: sequential modular, equation solving (simultaneous non-modular),
and simultaneous modular.
In the sequential modular approach, the equations describing the perfor-
mance of equipment units are grouped together and solved in modules, that is,
the process is solved equipment piece by equipment piece. In the equation solv-
ing, or simultaneous non-modular, technique, all the relationships for the process
are written out together and then the resulting matrix of nonlinear simultaneous
equations is solved to yield the solution. This technique is very efficient in terms
of computation time, but requires a lot of time to set up and is unwieldy. The final
technique is the simultaneous modular approach, which combines the mod-
ularizing of the equations relating to specific equipment with the efficient solution
16
algorithms for the simultaneous equation solving technique. Of these three types,
the sequential modular algorithm is by far the most widely used. In the sequential
modular method, each piece of equipment is solved in sequence, starting with the
first then followed by the second, and so on.
Because plants are composed of various units operations (such as
distillation, heat exchangers, and so on) and unit processes (such as alkylation,
hydrogenation, and so on), chemical engineers historically developed
representations of each of these units or processes as self contained modules.
Each module (refer to Figure (2-3) might be comprised of equations, equipment
sizes, material and energy balance relations, component flow rates, and the
temperatures, pressures, and phase conditions of each stream that enters and
leaves the physical equipment represented by the module.
Given the values of each input stream composition, flowrate, temperature,
pressure, enthalpy, and the equipment parameters, the output of a module can
become the input stream to another module for which the calculations can then
proceed, and so on, until the material and energy balances are resolved for the
entire process. Modules are portable which means that a subroutine
corresponding to a module can be assembled as an element of a large group of
subroutines, and successfully represent a certain type of equipment in any
process. Figure (2-4) shows icons for typical process modules used in process
simulators. Most currently available modern process simulator, such as
ASPENPLUS, CHEMCAD, HYSYS, & PRO/II are classified as modular based
simulators.
17
Figure (2-3) A Typical Process Module Showing The Necessary Interconnections
of Information. (5)
Figure (2-4) Typical Process Modules Used in Process Simulators. (5)
18
2-2-3 Process Simulation-Input Data (2)
There are seven input steps to setting up a process simulation problem as
shown on the right hand side of Figure (2-2). The seven steps are:
1. The selection of all chemical components that are required in the
process from the component database.
2. The selection of the thermodynamic models required for the
simulation, these may be different for different pieces of equipment.
3. Selection of the topology of the flowsheet to be simulated by
specifying the input and output streams for each piece of
equipment.
4. Selection of the conditions (temperature, pressure, flowrate, vapor
fraction, and composition) of the feed streams to the process.
5. Selection of the equipment specifications (parameters) for each
piece of equipment in the process.
6. Selection of the way in which the results are to be displayed.
7. Selection of convergence method that runs the simulation.
The interaction between the elements and steps and the general flow of
information is shown by the lines on the diagram. Of the seven input steps given,
steps 2, 5, and 7 are the cause of most problems associated with running
process simulation. These areas will be covered in more detail in the following
sections.
2-2-3-1 Selection of Chemical Components (2)
Usually, the first step in setting up a simulation of a chemical process is to
select which chemical components are going to be used. The simulator will have
a data bank of thousands chemical components. It is important to identify all
components, inerts, reactants, by-products, utilities, and waste chemicals. If the
chemicals needed are not available in the databank, then there are usually
several ways to add components (user added components) to the simulation, and
the simulator user manual should be consulted.
19
2-2-3-2 Selection of Thermodynamic Model (1, 6)
Selecting the best physical property model is an extremely important part
of any simulation. If the wrong property package or model is used, the simulated
results will not be accurate and cannot be trusted. The physical properties
required for accurate modeling and simulation often include molecular reaction
and kinetic data, thermodynamic properties, and transport properties.
Estimation of these key chemical properties is done through three
methods. The first is that interpolation, extrapolation, and empirical curve fitting of
tabulated, experimentally determined properties. These empirical property
estimators can be very accurate, but must be used only under the same
conditions as the experimentally determined data used as the basis for the
empirical relations. The second approach to property estimation is through the
use of equations of state. The latter are generalized equations derived from
fundamental molecular principles of molecular repulsion and attraction. The third
method, termed the activity coefficient method, describes an approach to
accounting for non-ideal behavior of chemicals through the modification of basic
molecular interaction principles and the resultant thermodynamic phenomena. A
summary of the principal physical property estimation models, their limitation, and
applicability is listed in Table (2-2), and a general guide to physical property
estimation model selection is presented in Table (2-3) and Figure (2-5). Users
should also consult the manuals for the specific software that is used since the
definitions, names, and physical property estimation methods do vary from one
software to another.
20
Table (2-2) Physical Property Estimation Model Summary (1)
21
Table (2-3) Recommended Physical Property Estimation Models for Various Applications. (1)
Figure (2-5) Graphical Guide to Physical Property Estimation Model Selection. (1)
22
2.2.3.3 Selection of Flow sheet Topology (2)
In recent versions of simulators, flow sheet topology is achieved by
constructing the flow sheet using equipment icons and connecting the icons with
process streams. Sometimes, it is convenient to carry out this step first. When
using the graphical symbols of typical process modules used in process
simulators (Figure (2-4)), the streams and equipment are usually numbered
sequentially in the order they are added. These can be altered by the user if
required.
2.2.3.4 Selection of Feed Stream Conditions (2)
As discussed in Section 2-2-2, the sequential modular approach to
simulation requires that all feed streams be specified (composition, flow rate, vapor
fraction, temperature, and pressure). In addition, estimates of recycle streams
should also be made. Although feed properties are usually well-defined, some
confusion may exist regarding the number and type of variables that must be
specified to define completely the feed stream. In general, feed streams contain
(n ) components and consist of one or two phases. For such feeds, a total of
( n + 2) specifications completely define the stream. This is a consequence of the
phase rule. Giving the flow rate (kmol/hr, kg/s, etc.) of each component in the feed
stream takes care of these specifications. The remaining two specifications should
also be independent. For example, if the stream is one phase, then giving the
temperature and pressure of the stream completely defines the feed. Temperature
and pressure also completely define a multi-component stream having two phases.
However, if the feed is a single component and contains two phases, then
temperature and pressure are not independent. In this case, the vapor fraction and
either the temperature or the pressure must be specified. Vapor fraction can also
be used to specify a two-phase multi-component system, but if used, only
temperature or pressure can be used to specify completely the feed. To avoid
confusion, it is recommended that vapor faction (vf ) be specified only for
23
saturated vapor ( vf = 1) , saturated liquid ( vf = 0) and two-phase, single-component
(0 < vf < 1) streams. All other streams should be specified using the temperature
and pressure.
By giving the temperature, pressure, and vapor fraction for a feed, it would
over specify the stream and errors will result.
2.2.3.5 Selection of Equipment Parameters (2)
It is worth pointing out that process simulators, with a few exceptions, are
structured to solve process material, and energy balances, reaction kinetics,
reaction equilibrium relationships, phase equilibrium relationships, and equipment
performance relationships for equipment in which sufficient process design
variables have been specified.
There are essentially two levels at which a process simulation can be
carried out. The first level, Level 1, is one which the minimum data are supplied in
order for the material and energy balances to be obtained. The second level,
Level 2, is one in which the simulator to do as many of the design calculations as
possible. The second level requires more input data than the first. When
attempting to do a simulation on a process for the first time, it is recommended
that minimum data required for a Level 1 simulation will be provided. When
obtaining a satisfactory, converged solution, it can go back and provide more
data to obtain desired design parameters, that is, a Level 2 solution.
The structure of the process simulator will determine the exact
requirements for the input data, and such information could be available in the
user manual for the software.
For distillation columns, usually, both rigorous (plate-by-plate calculations)
and short-cut (Fenske and Underwood relationships using key components)
methods are available. In preliminary simulations, it is advisable to use short-cut
methods. The advantage of the shortcut methods is that they allow a design
calculation (which estimates the number of theoretical plates required for the
separation) to be performed. For preliminary design calculations, this is a very
24
useful option and can be used as a starting point for using the more rigorous
algorithms, which require that the number of theoretical plates be specified.
In short-cut module, the required input for the design mode consists of
identification of the key components to be separated, specification of the frac-
tional recoveries of each key component in the overhead product, the column
pressure and pressure drop, and the ratio of actual to minimum reflux ratio to be
used in the column. The simulator will estimate the number of theoretical plates
required, the exit stream conditions (bottom and overhead products), optimum
feed location, and the reboiler and condenser duties. If the shortcut method is
used in the performance mode, the number of plates must also be specified, but
the R/Rmin is calculated.
In rigorous module, The number of theoretical plates must be specified,
along with the condenser and reboiler type, column pressure and pressure drop,
feed tray location(s), and side product locations (if side stream products are
desired). In addition, the total number of specifications given must be equal to the
number of products (top, bottom, and side streams) produced. These product
specifications are often a source of problems.
Several rigorous modules may be available in a given simulator. Differences
between the modules are the different solution algorithms used and the size and
complexity of the problems that can be handled. Tray-to-tray calculations can be
handled for several hundred stages in most simulators. In addition, these
modules can be used to simulate accurately other equilibrium staged devices, for
example, absorbers and strippers.
When giving the top and bottom specifications for a distillation column,
make sure that the specifications do not violate the material balance.
2.2.3.6 Selection of Output Display Options (2)
Several options are available to display the results of a simulation. Often,
a report file can be generated and customized to include a wide variety of stream
and equipment information. In addition, vapor and liquid flows, temperature, and
25
composition profiles (tray-by-tray) for multistage equipment, and a wide variety of
phase diagram for streams can be generated. The user manual should be
consulted for the specific options available for the simulator used.
2-2-3-7 Selection of Convergence Criteria and Running Simulation (2)
For equipment requiring iterative solutions, there will be user-selectable
convergence and tolerance criteria in the equipment module. There will also be
convergence criteria for the whole flow sheet simulation, which may be adjusted
by the user.
The two most important criteria are number of iterations and tolerance.
These criteria will often have default values set in the simulator. Unless specific
problems arise, these default values should be used in the simulations. If the
simulation has not converged, the results do not represent a valid solution and
should not be used.
When convergence is not achieved, there are three common causes:
1. The problem has been ill posed. This normally means that equipment has
been given incorrectly.
2. The tolerance for the solution has been set too tightly, and convergence can
not be obtained to the desired accuracy no matter how many solution itera-
tions are performed.
3. The number of iterations is not sufficient for convergence. This occurs most
often when the flow sheet has many recycle streams. Rerunning the flow
sheet simulation with the results from the previous run may give a
converged solution. If convergence is still not obtained, then one way to
address this problem is to remove as many recycle streams as possible.
The simulation is then run, and the recycle streams are added back, one by
one, using the results from the previous simulation as the starting point for
the new one.
26
Of the three reasons above, the first one is by far the most common. The
most common reason for the failure of a simulation to converge is the use of
incorrect or impossible equipment specification.
2-3 MULTICOMPONENT DISTILLATION COLUMN
Equilibrium calculations of multicomponent distillation are classified into
two methods:
1. Shortcut Methods
2. Rigorous Methods
2-3-1 Shortcut Methods (4, 12)
Approximate methods are a useful for the synthesis, analysis and design
of distillation separations. The main advantage of shortcut methods is that they
can provide the feasible region of operation. They also provide large saving in
computer time, and sometimes, they are sufficiently accurate that more
expensive rigorous methods are not justified.
The concepts of minimum number of plates, Nmin, and minimum reflux,
Rmin, are very important concepts in the design of distillation processes, as they
are considered to be the limiting conditions in the operation of a distillation
column.
Nmin corresponds to the number of trays required for separation in a
situation in which the external reflux ratio R (ratio of the liquid refluxed to the
distillate rate) of the column is infinite. This corresponds to total reflux operation.
Rmin corresponds to the minimum value of the external reflux ratio required to
achieve the specified separation in a situation in which the number of trays of the
column is infinite.
Fenske-Underwood Gilliland method (FUG) is the most popular of shortcut
method. The basic assumptions of such a method are:
1. The system is ideal.
2. Constant molar flowrates (as in the McCabe Thiele method for binary
mixtures).
27
3. The separation is essentially taking place between the light key
component and the heavy key component. The light key (lk ) is the
lightest component appearing in the bottom and the heavy key (hk ) is the
heaviest component appearing in the top.
In the Fenske-Underwood Gilliland method consist the following:
1. Fenske’s equation is used to calculate the minimum number of trays, Nmin.
2. Underwood’s equation is used to estimate the minimum reflux, Rmin.
3. Gilliland’s correlation is used to calculate the actual number of trays, N (for
any R given), or the reflux ratio, R, (for any N given) in terms of previous
limiting values Nmin and Rmin.
The Fenske equation is:

⎡⎛ x ⎞ ⎛ x ⎞⎤
log ⎢⎜⎜ Dlk ⎟⎟.⎜⎜ Bhk ⎟⎟⎥
N min = ⎣⎝ x Blk ⎠ ⎝ x Dhk ⎠⎦
log(α lk ,hk )
………………………………………..……... (2-1)
Where α lk ,hk is the relative volatility of the light key component relative to
the heavy key component. Since it can be expected that the value of α changes
for each tray of the column, the geometric average of this value is generally used:
α N = (α N .α N −1 .........α 1 ) ……………………………………….......... (2-2)
The Underwood equation can be written as:
α i . xi . D
∑α = Rmin + 1
i i −θ ……………………………………………….. (2-3)
28
Where θ is a root of the equation:
α i . x i. F
∑α = 1 − q …………………………………………………… (2-4)
i i −θ
Such that αhk ≤ θ ≤ αlk .

α hk are the relative volatilities of the key components (light and heavy) in
the calculation. As stated earlier, such components are the ones that the designer
uses as the basis for the separation.
Finally, the Gilliland correlation is given by:
N − N min ⎡⎛ 1 + 54.4G ⎞ ⎛ G − 1 ⎞⎤
= 1 − exp ⎢⎜ ⎟.⎜ 0.5 ⎟⎥
N +1 ⎣⎝ 11 + 117.2G ⎠ ⎝ G ⎠⎦ ………………...…… (2.6)
Where
R − Rmin
G=
R +1 …………………………………………………….... (2.7)
2-3-2 Rigorous Methods (COMPUTER METHODS)
Previously, simulations based on non-equilibrium, or rate-based, models
were considered impractical due to their complexity. However, with ever-
increasing computing power, these simulations are not only feasible, but in some
circumstances they should be regarded as mandatory. (12)
In recent years, it has become more common to simulate distillation and
absorption as a mass-transfer-rate-based operation, using what have become
known as non-equilibrium or rate-based, models.
There are many ways to model an entire column, but the most common
approach is to divide the column into a number of discrete “stages,” as depicted
in the third panel of figure (2-6).
29
Figure (2-6) Decomposition of a Chemical Plant into Unit Operations,
And Decomposition of the Distillation into Stages. (12)
The complexity of multicomponent distillation calculations can be

appreciated by considering the normal procedure to solve the MESH equations
stage-by-stage, from the top and bottom of the column toward the feed point.
Most rigorous methods involve the solution of the so-called MESH equations. For
each stage j in a distillation column of NT stages (and for each component i in
a mixture of NC components), the equations representing mass balance (M),
equilibrium relationships (E), summation of compositions (S), and heat balance
(H), constitute the MESH equations. In addition, both K values and enthalpies are
generally given as functions of temperatures, pressures and compositions. (3, 4, 12)
Mass balance
F j . z ij + L j −1 . x i , j −1 + V j +1 . y i , j +1 − ( PL j + L j ). x ij − (V j + PV j ). y ij = 0
…… (2-8)
i = 1,..... NC., j = 1,...... NT
Equilibrium expressions
y ij = K ij . x ij
K ij = K (T j , Pj , x ij ) ……………………………………………………..... (2-9)
30
Summation equations
∑x i ij
=1
∑y i ij =1 .............................................................................. (2-10)
j = 1,..... NT
Heat balance
F j .HFj + L j −1 .H l , j −1 +V j +1 .H v, j +1 − (PLj + L j ).H lj − (V j + PVj ).H vj + Q j = 0
j = 1,.....NT
H lj = h(T j , Pj , x j ) …... (2-11)
H vj = H (T j , Pj , y j )
HFj = HF(T f , Pf , z f )
These mass, Equilibrium, Summation, and Heat MESH equations form the
standard model for a tray-by-tray distillation model. Note that the thermodynamic
properties (K values and specific enthalpies) are expressed as implicit functions
that require the physical property models. For the condenser, the balance
equations are further simplified to:
Mass balance
V1 . y i ,1 − ( DL + L0 ). x iD − DV . y iD = 0 ………………………………………... (2-12)
i = 1,..... NC
Summation equations
∑x i iD
=1 ∑y i iD
=1
………………………...............………..………. (2-13)
yiD = K iD . xiD
K iD = K (TD , PD , x D ) …………………………………………………………. (2-14)
Heat balance
V1 H v ,1 − ( DL + L0 ) H lD − DVH vD − Q c = 0, j = 1,......... NT
H lD = h(T D , PD , x D ) …….........…… (2-15)
H vD = H (TD , PD , y D )
And similarly the reboiler equations are given by:
31
Mass balance
L N −1 . x i , N −1 − BL. x iB − (V N + BV ). y iB = 0
………………………......…………… (2-16)
i = 1,...... NC , j = 1,..... NT
y iB = K iB . x iB
…………………………………………………......…….... (2-17)
K iB = K (TB , PB , x B )
Summation equations
∑x i iB
=1 ∑yi iB =1
............................................................................ (2-18)
Heat balance
L N −1 H l , N −1 − BLH lB − (V N + BV ) H vB + Q r = 0, j = 1,....... NT
H lB = h (T B , PB , x B ) ............. ..... (2-19)
H vB = H (TB , PB , y B )
For the reboiler and condenser, the Summation and Equilibrium equations
are dropped if the overhead and bottom products D and B are single phase. The
combined systems consist of [(NT + 2).(2NC + 3) + 2] equations and
[(NT + 2).(3NC + 5) + 3] variables. After specifying the number of trays, feed tray
location, and the feed flowrate, composition, and enthalpy ( N T .( N C + 1)

variables), only ( NT + 1) degrees of freedom remain. A common specification for
the MESH system is to fix the pressures on the trays and the reflux ratio,
R =Lo/D. (3)
The basic steps in any rigorous solution procedure will be: (4)
1. Specification of the problem; complete specification is essential for
computer methods.
2. Selection of values for the iteration variables; for example, estimated stage
temperatures, and liquid vapor flows (the column temperature and flow
profiles).
3. A calculation procedure for the solution of the stage equations.
4. A procedure for the selection of the new values for the iteration variables
for each set of trial calculations.
32
5. A procedure to test for convergence; to check if a satisfactory solution has
been achieved.
Depending on the calculation sequence, there are several rigorous
methods reported in the literature. The most important of these methods are:(4)
1. Lewis-Matheson method.
2. Thiele-Geddes method.
2-3-2-1 Lewis-Matheson method (4)
The method proposed by Lewis and Matheson (1932) (13) is essentially the
application of the Lewis-Sorel method to the solution of multicomponent
problems. Constant molar flow is assumed and the material balance and
equilibrium relationship equations are solved stage by stage starting the top or
bottom of the column. To define a problem for the Lewis-Matheson method the
following variables must be specified, or determined from other specified
variables:
Feed composition, flow rate and condition.
Distribution of the key components
One product flow
Reflux ratio.
Column pressure
Assumed value for the distribution of non-key components
The usual procedure is to start the calculation at the top and bottom of the
column and proceed toward the feed point. The initial estimates of the
component distributions in the products are then revised and the calculations
repeated until the compositions calculated from the top and bottom starts mesh,
and match the feed at the feed point.
In some computer applications of the method, where the assumption of
constant molar overflow is not made, it is convenient to start the calculations by
assuming flow and temperature profiles. The stage component compositions can
then be readily determined and used to revise the profiles for the next iteration.
33
With this modification the procedure is similar to the to the Thiele-Geddes
method discussed in the next section.
In general, the Lewis-Matheson method has not been found to be an
efficient procedure for computer solutions, other than for relatively straightforward
problems. It is not suitable for problems involving multiple feeds, or where more
than one column is needed.
The method is suitable for interactive program run on programmable and
personal computers. Such a program can be “semi-manual” in operation: the
computer solving the stage equations, while the control of iteration variables and
convergence is kept by the designer. As the calculations are carried out one
stage at a time, only a relatively small computer memory is needed.
2-3-2-2 Thiele-Geddes method (4)
Like the Lewis-Matheson method, the original method of the Thiele and
Geddes (1933) (14)
was developed for manual calculations. It has
subsequently been adapted by many workers for computer applications. The
variables specified in the basic method, or that must be derived from other
specified variables, are:
Reflux temperature.
Reflux Flowrate.
Feed flow and condition.
Column pressure
Number of equilibrium stages above and below the feed point
The method starts with an assumption of the column temperature and flow
profiles. The stage equations are then solved to determine the stage component
compositions and the results used to revise the temperature profiles for
subsequent trail calculations. The Thiele-Geddes method can be used for
solution of complex distillation problems, and for other multi-component
separation processes.
34
Chapter “3”:
CHEMCAD
PROCESS
SIMULATOR
CHAPTER 3: CHEMCAD PROCESS SIMULATOR
CHEMCAD simulator has the most features of process simulators

mentioned before in section (2-2). CHEMCAD is a very easy program to learn,
and the best way to master it is by using it. Here it is provided a step-by-step
description of how to performance the distillation column. The input procedure is
simple and straightforward. It is designed to be intuitive for a chemical engineer
familiar with the Windows environment. A review of some of the basic rules for
using CHEMCAD is given in the following sections. (8)
3.1 BASIC STEPS (8)

The following eight basic steps are used to run a flowsheet simulation in
CHEMCAD.
1. Starting a new job
2. Creating a flowsheet
3. Selecting engineering units
4. Selecting components
5. Selecting thermodynamics options
6. Defining the feed streams
7. Input equipment parameters
8. Running the simulation & Reviewing the results
The steps do not have to be performed in this order nor do all of them
have to be done for each flowsheet. All should be considered for each problem.
3.1.1 STARTING A NEW JOB – THE SIMULATION WINDOW (8)
The File command is used to start opening a new job and giving it a job
name. The main working window of CHEMCAD will appear as shown in; figure
(3-1).
35
Figure (3-1) Main Working Window of CHEMCAD. (8)
36
The Menu Bar commands are(8):
3.1.2 DRAWING THE FLOWSHEET (8)

To draw the flowsheet, the flowsheet palette which appear in the main working
window; figure (3-1) is used. The following notes should be considered of the
flowsheet palette:
• The first box re-invokes the arrow cursor when needed.
• The second box enables the user to rotate objects on the flowsheet.
• The next five boxes (reading horizontally) enable the user to draw the
indicated primitive on the flowsheet.
• Box number eight, the "ab" box, is used to put text on the drawing.
• Box number nine is for drawing process streams (streams must connect
unit operations).
37
• The remaining boxes each represent one of the unit operations in the
CHEMCAD library.
• Pointing to a box with the cursor will cause a small descriptive label to
appear which will indicate what each box represents.
• Pointing to a box and clicking with the left button of the mouse will activate
the corresponding function.
• Pointing to a box and clicking with the right button of the mouse will cause
a sub-palette of icon options to be displayed. Right clicking again (on the
same master palette box) will cause the sub-palette to disappear.
• Multiple sub-palettes may be displayed simultaneously.
• The master palette may be switched on and off using the View\Main
Palette command, by clicking on the Run Simulation command, or by
clicking the S/G Power button.
• The size and shape of the main palette can be controlled using the
View\Palette Settings commands.
• On the icon display, inlets are indicated by small blue squares and outlets
by small brown squares.
Creating a flowsheet is the process of placing unit operations icons on the
screen, connecting them with streams, and then adding various graphical objects
to enhance the drawing. All of these things may be done using the palette.
It might be noticed from the flowsheet palette that there are multiple
distillation modules available in CHEMCAD. An explanation of each of these
options is given in the on-line Help manual. CHEMCAD offers a shortcut method
and two basic types of rigorous methods, inside-out and simultaneous corrections.
The inside-out method comes in two forms, TOWR and TOWER PLUS. TOWR
represents standard column configurations while TOWER PLUS allows for
complex columns with heat exchangers, pump rounds and side strippers. The
simultaneous corrections method, SCDS, is typically preferred for super
38
fractionators and chemical columns requiring substantial robustness. Naturally,
SCDS provides the platform for simulating reactive distillation. Since it is wanted
to use a Tower icon that has a reboiler but no condenser we must use the sub-
palette to select the proper icon. Therefore, right click on the Tower icon box. The
sub-palette will appear in figure (3-2). Select the Tower icon indicated below by
left clicking on it.
Figure (3-2) Sub-Palette of SCDS Distillation Dolumn(8)
Click on the feed icon on the flowsheet palette and paste it on the work space.
Similarly, click on the product icon and place it on the workspace (do the product
twice as there are two products streams). After making sure that all necessary
icons are placed on the workspace, they can be connected by using stream.
CHEMCAD automatically assigns numbers of streams and unit operations the
order in which they are placed on the workspace. After completing the flowsheet,
click once in the S/G icon on the menu bar so that the simulation is changed from
edit to run mode. Figure (3-3) shows HF Stripper distillation column flowsheet
drawing.
3.1.3 SELECTING ENGINEERING UNITS (8)
To select engineering units, select the Format command, and select the
Eng Units option, the dialog box will appear; as shown in figure (3-4).
The ENGLISH unit’s option is the default and is currently highlighted. It may
change the engineering units system by clicking any one of the four buttons
39
English, Alt SI, SI, or Metric, or you can change any unit individually by clicking
on the individual item and then selecting from the list presented. Then close the
dialog box by clicking the OK button.
Figure (3-3) HF Stripper Distillation Column Flowsheet (8)
Figure (3-4) Selecting Engineering Units (8)
40
3.1.4 SELECTING COMPONENTS (8)
Select the ThermoPhysical command to identify which components are to
be used in the simulation. To choose components from the standard CHEMCAD
databank, click the Component List option with the mouse. The Component
Selection dialog box will appear, as shown in figure (3-5). This dialog box is
organized as indicated below:
Figure (3-5) The Component Selection Dialog Box (8)
Now find the following components and add them to the component list:
15. N-Undecane
16. N-Dodecane
17. N-Tridecane
18. N-Tetradecane
1519. N-Undecylbenzene
470. N-Dodecylbenzene
918. N-Tridecylbenzene
1761. N-TETRADECYLBENZ
8007. heavy alkylate
Now save the list by clicking the [OK] button.
41
New Component – in CHEMCAD can be defining a new component. In any case,
a minimum of data may be entered.as shown in figure (3-6) new component
dialog box.
When entering data manually, you must satisfy the minimum system
requirements. Each component must have molecular weight, critical temperature,
and pressure, specific gravity, acentric factor, and the coefficients for the ideal
gas heat capacity.
Figure (3-6) The New Component Dialog Box (8)
“heavy alkylate” can be entering to ChemCAD library by entering the

following data:
Name of Component: heavy alkylate (HAB)
Molecular Weight: 366
Normal boiling: 397 oC
Enter specific gravity or API gravity:
Specific gravity at 60 oF: 0.875
42
3.1.5 SELECTING THERMODYNAMIC OPTIONS (8)
Select K-value models by pointing and clicking on the K-values option on
the menu displayed. The K-value Options dialog box will be displayed, as shown
in figure (3-7). In the upper-left corner of this screen will be a combo box labeled
Global K-value Option, which is currently highlighted, figure (3-7). Select SRK
Option.
Figure (3-7) The K-value Options Dialog Box (8)
3.1.6 Defining The Feed Streams (8)

Double click on the feed stream and enter the feed information
(temperature, pressure, total flow rate and component fractions) given. Click once
on Flash to get the feed stream enthalpy and vapor fraction in feed at the feed
conditions, as shown in figure (3-8).
43
Figure (3-8) Defining the Feed Streams (8)
Enter the following data for HF Stripper:

TEMP C 102.0000
Pres kPa 420.0000
Flowrates in kg/h
N-Decane (C10-Paraffin) 12129.5667
N-Undecane (C11-Paraffin) 23036.4841
N-Dodecane (C12-Paraffin) 14515.0311
N-Tridecane (C13-Paraffin) 6175.3842
Decylbenzene (C10-LAB) 1296.1336
N-Undecylbenzene (C11-LAB) 1830.1928
N-Dodecylbenzene (C12-LAB) 1464.3056
Tridecylbenzene (C13-LAB) 964.3354
heavy alkylate 539.3612
44
3.1.7 INPUTING EQUIPMENT PARAMETERS (8)
Double click on the SCDS distillation column unit. The column dialog box will
appear, as shown in figure (3-9). There are five pages to this screen. On the first
page, enter the top pressure, which is 340 Kpa; the column pressure drop, which
is 20 Kpa; the number of stages, which is 21, and the feed stage location, which
is stage number 1. The second page, figure (3-10), is for Specification. Select no
condenser or side streams and specify the reboiler mode & specify the (Bottom
product temperature) at 175 oC
Figure (3-10)1st Page of SCDS Distillation Column ‘General Model Parameter (8)
45
Figure (3-10)2nd Page of SCDS Distillation Column ‘Heat and Material Balance
Specification (8)
3.1.8 RUNNING THE SIMULATION AND REVIEWING THE RESULT (8)

After entering the available information on the workspace as described in
the previous steps, one can run the simulation by clicking on R_on the menu bar.
Alternatively, one can run the simulation by clicking on Run on the menu bar and
selecting Run all. The simulator indicates the same warnings regarding the
estimates as before and one can ignore them again and continue with the
simulation by clicking on Yes. The status of the simulation can be found at the
bottom left hand corner of the screen. The message, Run Finished appears in
this place if the run is successfully completed. To view the product stream
compositions, one can either double click on the individual product streams or by
clicking Results on the menu bar and selecting Stream Compositions and further
selecting All Streams. The results obtained from the latter method will be in a
WordPad file, figure (3-11).
46
Figure (3-12) WordPad File of Stream Composition (8)
All the results associated with the SCDS distillation column can be found by
clicking on Results menu and selecting Unit Op’s and then the SCDS distillation
column. The results will then are available in a WordPad file, figure (3-12).
Figure (3-12) SCDS Rigorous Distillation Summary”Unit Op’s” (8)
47
Chapter “4”:
RESULTS
AND DISCUSSION
CHAPTER 4: RESULTS AND DISCUSSION
Four major distillation columns in LAB production plant have been simulated
utilizing plant field data presented in Tables (A1) to (A4), using CHEMCAD
simulator. The simulation raw data are given in Appendix (B). The results and
discussions of the four columns, (HF-Stripper, Benzene Column, Paraffin Column,
& Rerun Column) have been presented in the following sections.
4-1 HF-STRIPPER
4-1-1 Effect of Bottom Temperature
The figures (4-1) to (4-5) show the effect of bottom temperature on top
temperature, top total vapor flow rate, & top components weight fractions
(benzene, C10-Paraffin, C11-Paraffin), at different thermodynamic models. The
figures show that the effect of the thermodynamic models used (SRK, TSRK, PR,
and ESSO) on the general results is within about 5% variation, except the top
components weight fractions of C10-Paraffin & C11-Paraffin, the variation is within
25% . SRK & TSRK thermodynamic options give the average values.
Top temperature can be replacing bottom temperature of figures (4-2) to (4-5)
giving same behavior. The bottom temperature increase of 30 oC (from 170 oC to
200 oC) cause, the top temperature increase of 3 oC (from 139 oC to 142 oC).
The major variation of the total top vapor flow rate has been noticed, from
about 7000 kg/hr to 19000 kg/hr with the 30 oC difference of bottom temperature,
figure (4-2). Where as the variation of the top components weight fractions are
small (0.9-0.925 for benzene, figure (4-3), and approximately constant at about
0.025 for both C10-Paraffin & C11-Paraffin, figure (4-4) & (4-5)).
The results obtained from simulation using CHEMCAD, show that about 5%
of C10-Paraffin & C11-Paraffin, Figures (4-4) & (4-5), presents at top stream which
may cause a problem in the LAB production plant.
48
4-1-2 Effect of Feed Temperature
The figures (4-6) to (4-10) show the effect of feed temperature on top
temperature, top total vapor flow rate, & top components weight fractions
(benzene, C10-Paraffin & C11-Paraffin), at different thermodynamic models. The
figures show that the effect of the thermodynamic models used (SRK, TSRK, PR,
and ESSO) on the general results is within 5% variation, except the top
components weight fractions of C10-Paraffin & C11-Paraffin, the variation is within
25% . SRK & TSRK thermodynamic options give the average values.
The feed temperature increase of 20 oC (from 90 oC to 110 oC) cause, the top
temperature increase of 3 oC (from 138 oC to 141 oC). The variation of the total top
vapor flow rate, the top components weight fractions are small. The variations are
within 1%.
4-1-3 Effect of Feed Concentration
The feed concentration presentation is very difficult in multicomponent
systems. Table (4-1) show a comparison between two simulation runs to notice the
effect of decreasing light components feed weight fractions (benzene) and
increasing heavy components feed weight fractions (C10-Paraffin & C11-Paraffin).
The top temperature decreases (from 139.7 oC to 135.6 oC), whereas the top total
vapor flow rate decreases (from about 10000 kg/hr to 3500 kg/hr).
4-1-4 HF Stripper Column Profiles
The figures (4-11) to (4-19) show the temperature & composition profiles
for HF-stripper column. The figures show that the effect of the thermodynamic
models used (SRK, TSRK, PR, and ESSO) on the general results is within 5%
variation, except the top total vapor flowrate profile, figure (4-13), the variation is
within 15%. In all cases the profiles remain fairly constant from tray 5 (immediately
below feed) through tray 18 (immediately above reboiler). In fact, these trays can
be removed without severely affecting the column performance.
49
4.1.5: Comparison of Results of HF-Stripper
The comparison of the simulated results with plant HF-stripping column
parameters is shown in table (4-2). The deviation of simulated top temperature
from the actual value can be attributed to the uncertainty or the difference of feed
concentration. Table (4-1) gives a simulated top temperature of (135.6 oC) witch
confirm well with actual value (135 oC ).
The high deviations of simulated top weight fractions of components with the
plant values due to the difficulty of sampling and the accurate chemical analysis of
the top stream because of presence of HF.
50
Table (4-1) Effect of Feed Concentration; a Comparison Between Two CHEMCAD Runs of HF-
Stripper Column.
Stream No. 1 2 3
Stream Name Feed top product bottom produ
Temp C 102.0000* 139.7164 175.0000
Pres kPa 420.0000* 340.0000 360.0000
Enth MJ/h -95817. 6110.5 -83492.
Vapor mole fraction 0.00000 1.0000 0.00000
Total kmol/h 715.2811 135.3644 579.9168
Total kg/h 87585.0083 10013.9889 77571.0141
Total std L m3/h 110.9508 11.4246 99.5263
Total std V m3/h 16032.06 3034.01 12998.05
Component mass fractions
HydrogenFluoride 0.003334 0.029161 0.000000
Benzene 0.289344 0.911906 0.208975
N-Decane 0.138489 0.024208 0.153242
N-Undecane 0.263019 0.024452 0.293816
N-Dodecane 0.165725 0.008291 0.186049
N-Tridecane 0.070507 0.001882 0.079367
Decylbenzene 0.014799 0.000044 0.016703
N-Undecylbenzene 0.020896 0.000032 0.023590
N-Dodecylbenzene 0.016719 0.000016 0.018875
Tridecylbenzene 0.011010 0.000006 0.012431
heavy alkylate 0.006158 0.000001 0.006953
Stream No. 1 2 3
Stream Name Feed top product bottom produ
Temp C 102.0000* 135.6126 175.0000
Pres kPa 420.0000* 340.0000 360.0000
Enth MJ/h -1.0892E+005 -798.04 -91192.
Total kmol/h 686.1460 54.0737 632.0723
Total kg/h 87586.0147 3495.4158 84090.5894
Total std L m3/h 112.0347 3.9784 108.0563
Total std V m3/h 15379.04 1211.99 14167.05
Benzene 0.234161 0.845922 0.208732
N-Decane 0.171260 0.031883 0.177054
N-Undecane 0.285434 0.027978 0.296135
N-Dodecane 0.165723 0.008637 0.172253
N-Tridecane 0.070507 0.001938 0.073357
Decylbenzene 0.014798 0.000045 0.015412
heavy alkylate 0.006158 0.000001 0.006414
Table (4-2): Comparison between simulated and plant data of HF-Stripping Column at; T feed =102 oC,
P top =340 Kpa &T bottom =175 oC
Variable Plant Simulated % Deviation

Top temperature (oC) 135 139.5 + 3.33 %
Total top Flowrate (kg/hr) 11670 10800 - 7.45501 %
HF wt fraction 0.025 0.029 + 16 %
Benzene wt fraction 0.975 0.912 - 6.461 %
C10-paraffin wt fraction Traces 0.024 Very high
C11-paraffin wt fraction Traces 0.024 Very high
51
0.029
144
142 0.027
140 0.025
Top Temperatur (oC)
C10-Paraffin wt fraction
SRK.
138 ESSO 0.023 SRK.
P.R ESSO
P.R
136 TSRK 0.021 TSRK
134
0.019
132
0.017
130
165 175 185 195 205 0.015
165 170 175 180 185 190 195 200 205
Bottom Temperature (oC)
TOP TEM PERATURE oC
Figure (4-1) Effect of Bottom Temperature on Top Temperature Figure (4-4) Effect of Bottom Temperature on C10-Paraffin wt fraction
P Top=340 Kpa, & T Feed = 102 oC P Top=340 Kpa, & T Feed = 102 oC
0.029
25000
0.027
20000
Total Top Flowrate (Kg/hr)
0.025
SRK.
15000 0.023 SRK.
ESSO
P.R ESSO
TSRK P.R
10000 0.021 TSRK
0.019
5000
0.017
0
150 160 170 180 190 200 210 0.015
165 170 175 180 185 190 195 200 205
Bottom T emperature(oC)
TOP TEM PERATURE oC
Figure (4-2) Effect of Bottom Temperature on Total Top Flowrate Figure (4-5) Effect of Bottom Temperature on C11-Paraffin wt fraction
P Top=340 Kpa, & T Feed = 102 OC P Top=340 Kpa, & T Feed = 102 oC
0.95
0.94
0.93
Benzene wt fraction
0.92 SRK.
ESSO
P.R
0.91 TSRK
0.9
0.89
0.88
165 175 185 195 205
Figure (4-3) Effect of Bottom Temperature on Benzene wt fraction

P Top=340 Kpa, & T Feed = 102 oC
52
144 0.03
143
Top Temperature (oC)
0.025
142
SRK 0.02
SRK
141 ESSO
ESSO
P.R 0.015
140 P.R
TSRK
TSRK
0.01
139
138 0.005
137 0
80 85 90 95 100 105 110 115
80 85 90 95 100 105 110 115
Feed Temperature (oC)
Figure (4-6) Effect of Feed Temperature on Top Temperature Figure (4 -9) Effect of Feed Temperature on C10-paraffin wt fraction
P Top=340 Kpa, & T Bottom = 175 oC P Top=340 Kpa, & T Bottom = 175 oC
11000 0.03
10800 0.025
Total Top Flowrate (kg/hr)
10600
0.02
SRK SRK
10400
ESSO ESSO
0.015
P.R P.R
10200
TSRK TSRK
0.01
10000
9800 0.005
9600 0
80 85 90 95 100 105 110 115 80 85 90 95 100 105 110 115
Feed Temperature (oC) Feed Temperature (oC)
Figure (4 -7) Effect of Feed Temperature on Total Top Flowrate Figure (4-10) Effect of Feed Temperature on C11-paraffin wt fraction
P Top=340 Kpa, & T Bottom = 175 oC P Top=340 Kpa, & T Bottom = 175 oC
0.935
0.93
0.925
Benzene wt fraction
SRK
0.92
ESSO
P.R
0.915
TSRK
0.91
0.905
0.9
80 85 90 95 100 105 110 115
Figure (4 -8) Effect of Feed Temperature on Benzene wt fraction

P Top=340 Kpa, & T Bottom = 175 oC
53
180
170
TrayTemperature(oC)
160 SRK
ESSO
P.R
150 TSRK
140
130
0 5 10 15 20 25
Stage no.
Figure (4-11) Tower Temperature Profile

P Top=340 Kpa, T Feed = 102 oC, & T Bottom=175 oC
125000
120000
115000
Total liquid Flowrate (kg/hr)
110000
105000 SRK
100000 ESSO
95000 P.R
90000 TSRK
85000
80000
75000
70000
0 5 10 15 20 25
stage no.
Figure (4-12) Total Liquid Flowrate Profile

50000
45000
40000
Total Vapor Flowrate (kg/hr)
35000
30000 SRK
ESSO
25000
P.R
20000 TSRK
15000
10000
5000
0
0 5 10 15 20 25
stage no.
Figure (4-13) Total Vapor Flowrate Profile

54
0.5
0.96
0.45
0.94
0.4
0.35 0.92
Benzene wt fraction
Benzene wt fraction
0.3 SRK 0.9
SRK
ESSO ESSO
0.25 0.88
P.R P.R
0.2 TSRK 0.86 TSRK
0.15
0.84
0.1
0.82
0.05
0.8
0
0 5 10 15 20 25 0.78
Stage s No. 0 5 10 15 20 25
Stages No.
Figure (4-14) Tray Liquid Profile of Benzene wt fraction. Figure (4-17) Tray Vapor Profile of Benzene wt fraction
P Top=340 Kpa, T Feed = 102 oC, & T Bottom=175 oC P Top=340 Kpa, T Feed = 102 oC, & T Bottom=175 oC
0.16
0.09
0.15
0.08
0.14 0.07
SRK 0.06
0.13
ESSO SRK
0.05
P.R ESSO
0.12
TSRK 0.04 P.R
TSRK
0.11 0.03
0.1 0.02
0.01
0.09
0 5 10 15 20 25 0
Stages no. 0 5 10 15 20 25
Stages No.
Figure (4-15) Tray Liquid Profile of C10-Paraffin wt fraction. Figure (4-18) Tray Vapor Profile of C10-Paraffin wt fraction
0.31
0.1
0.29 0.09
0.08
0.27
0.07
SRK
ESSO 0.06 SRK
0.25
P.R ESSO
0.05
TSRK P.R
0.23 0.04 TSRK
0.03
0.21
0.02
0.01
0.19
0 5 10 15 20 25 0
Stages no. 0 5 10 15 20 25
Stages No.
Figure (4-16) Tray Liquid Profile of C11-Paraffin wt fraction. Figure (4-19) Tray Vapor Profile of C11-Paraffin wt fraction
55
4-2 BENZENE COLUMN
temperature, top total flow rate, & top components weight fractions (benzene, C10 -
paraffin & C11-paraffin), at different thermodynamic models. The figures show the
following trends:
1. The effect of the thermodynamic models used (SRK, TSRK, PR, and
ESSO) on the general results is with in 1-10% variation.
2. For bottom temperature between 180 oC & 200 oC, the variation of the
top temperature is from 104 oC to 107 oC, the total top flowrate varies
from about 10000 kg/hr to 15000 kg/hr, where as the variation of the
top components weight fractions are varied as follows; benzene (from
1 to 0.85), C10-paraffin (from 0 to 0.06), and C11-paraffin (from 0 to
0.06).
3. For bottom temperature above 200 oC, the rate of change of the
variables decreases sharply.
temperature, top total flow rate, & top components weight fractions (benzene, C10
paraffin, C11 paraffin), at different thermodynamic models. The figures show the
following trends:
1. The effect of the thermodynamic models used (SRK, PR, & ESSO) on
the general results in within 10% variation, except TSRK model, the
variation is higher.
2. For feed temperature between 160oC and 180 oC, the variation of the
top temperature is within 106 oC to 107 oC, the total top flowrate varies
from 16800 kg/hr to 17500 kg/hr, where as the variation of top
components weight fractions are varied as follows; benzene (from 0.9
56
to 0.85), C10-paraffin (from 0.0 to 0.06), and C11-paraffin (from 0.0 to
0.06).
3. For feed temperature above 180 oC, the rates of change of variables
are higher.
systems. Table (4-3) show a comparison between two simulation runs to notice the
effect of increasing light components feed weight fractions (benzene) and
decreasing heavy components feed weight fractions (C10-paraffin & C11-paraffin).
The top temperature decreases from 107oC to 106 oC, whereas the top total vapor
flow rate increases (from about 15900 kg/hr to 19500 kg/hr).
4-2-4 Effect of Reflux Ratio
The figures (4-30) to (4-34) show the effect of reflux ratio on top temperature,
and top components weight fractions (benzene, C10-paraffin, C11-paraffin), at
different thermodynamic models. The figures show the following trends:
1. The effect of the thermodynamic models used (SRK, TSRK,PR, & ESSO)
on the general results 5%.
2. For reflux ratio increases between 0.75 to 1.5, the top temperature
decreases from 107oC to 107oC, and the total top flowrate decreases from
18400 kg/hr to 17000 kg/hr, where as the variation of top components
weight fractions are varied as follows; benzene (from 0.82 to 0.9), C10-
paraffin (from 0.07 to 0.045), and C11-paraffin (from 0.075 to 0.045).
4-2-5 Benzene Column Profiles
Figures (4-35) to (4-43) show the temperature & composition profiles for
benzene column. The figures show that the effect of the thermodynamic models
used (SRK, TSRK, PR, and ESSO) on the general results is within 5% variation. In
all cases the profiles remain fairly constant from tray 2 (immediately below
condenser) to tray 10 (immediately above the feed) and from tray 15 (immediately
below feed) to tray 25 (immediately above the reboiler).
57
4.2.6: Comparison of Results of Benzene Column
The comparison of the simulated results with plant Benzene column
parameters is shown in table (4-4). The deviation of simulated top temperature and
the total top Flowrate from the actual value is less than 10%, witch can be
attributed to the uncertainty or the difference of feed concentration.
The high deviations of simulated top weight fractions of benzene, C10-paraffin,
& C11-paraffin and the bottom weight fraction of benzene with the plant values can
be noticed
58
Table (4-3) Effect of Feed Concentration: a Comparison Between Two CHEMCAD Simulation Runs of
Benzene Column.
Stream No. 1 2 3
Stream Name feed top bottom pro.
Temp C 180.0000* 107.4400 225.0000
Pres kPa 400.0000* 200.0000 220.0000
Enth MJ/h -85867. 5099.6 -86054.
Total kmol/h 554.1456 186.5465 367.5991
Total kg/h 75753.0000 15918.4220 59834.5389
Total std L m3/h 97.6383 18.6003 79.0380
Total std V m3/h 12420.42 4181.19 8239.24
Benzene 0.182570 0.826926 0.011145
N-Decane 0.166443 0.070657 0.191926
N-Undecane 0.307018 0.072185 0.369493
N-Dodecane 0.186050 0.024157 0.229120
N-Tridecane 0.079367 0.005706 0.098964
Decylbenzene 0.016703 0.000161 0.021104
heavy alkylate 0.006953 0.000002 0.008802
Stream No. 1 2 3
Stream Name feed top bottom pro.
Temp C 180.0000* 106.4592 225.0000
Pres kPa 400.0000* 200.0000 220.0000
Enth MJ/h -74381. 8701.4 -80131.
Total kmol/h 578.5016 235.0694 343.4324
Total kg/h 75753.0000 19567.6364 56185.3352
Total std L m3/h 96.7491 22.6607 74.0884
Total std V m3/h 12966.33 5268.76 7697.57
Benzene 0.235373 0.874436 0.012807
N-Decane 0.140042 0.048476 0.171932
N-Undecane 0.280616 0.053106 0.359851
N-Dodecane 0.186050 0.019228 0.244149
N-Tridecane 0.079367 0.004480 0.105448
Decylbenzene 0.016703 0.000120 0.022478
heavy alkylate 0.006953 0.000002 0.009374
Table (4-4): Comparison between simulated and plant data of Benzene column at;
T feed =180 oC, P top =200 Kpa , T bottom =225 oC & R = 1.1
Variable Plant Simulated Deviation
Top temperature (oC) 100 106.8 + 7 %
Total top Flowrate (kg/hr) 15826 17631 + 9 %
Benzene top wt fraction ≈1 0.859 -14.1 %
C10-paraffin top wt fraction Traces 0.057 Very high
C11-paraffin top wt fraction Traces 0.059 Very high
Benzene bottom wt fraction Traces 0.012 Very high
59
0.07
108
107.5 0.06
107
SRK.
0.05
106.5 ESSO SRK.
P.R 0.04 ESSO
106
TSRK P.R
105.5 0.03 TSRK
105
0.02
104.5
104 0.01
103.5
0
170 180 190 200 210 220 230 240
170 180 190 200 210 220 230 240
Figure (4-20) Effect of Bottom Temperature on Top Temperature: Figure (4-23) Effect of Bottom Temperature on C10-Paraffin wt fraction:
P Top=200 Kpa, R = 1.1, & T Feed =180oC P Top=200 Kpa, R = 1.1, & T Feed =180oC
18000 0.07
17000
0.06
16000
Total Top flowrate (kg/hr)
15000 0.05
SRK. SRK.
14000 0.04
ESSO ESSO
13000 P.R P.R
0.03
12000 TSRK TSRK
11000 0.02
10000 0.01
9000
0
170 180 190 200 210 220 230 240
170 180 190 200 210 220 230 240
Figure (4-21) Effect of Bottom Temperature on Total Top Flowrate

Figure (4-24) Effect of Bottom Temperature on C11-Paraffin wt fraction:
P Top=200 Kpa, R = 1.1, & T Feed =180oC
1.02
1
0.98
Benzene wt fraction
0.96 SRK.
0.94 ESSO
P.R
0.92
TSRK
0.9
0.88
0.86
0.84
0.82
170 180 190 200 210 220 230
Figure (4-22) Effect of Bottom Temperature on Benzene wt fraction

60
111 0.12
110 0.1
C10-Paraffin wt, fraction

SRK
109 SRK
0.08 ESSO
ESSO
P.R
108 P.R 0.06 TSRK
TSRK
107
0.04
106
0.02
105
0
150 160 170 180 190 200 210
155 165 175 185 195 205
Figure (4-25) Effect of Feed Temperature on Top Temperature Figure (4-28) Effect of Feed Temperature on C10 -Paraffin wt fraction:
P Top=200 Kpa, R= 1.1, & T Bottom = 225 oC P Top=200 Kpa, R= 1.1, & T Bottom = 225 oC
22000 0.14
21000 0.12
Total Top Flowrate (Kg/hr)
C11-Paraffin wt, fraction
20000 SRK
0.1
SRK
ESSO
19000 0.08 ESSO
P.R
P.R
18000 TSRK 0.06 TSRK
17000 0.04
16000 0.02
15000 0
150 160 170 180 190 200 210 155 165 175 185 195 205
Figure (4-26) Effect of Feed Temperature on Total Top Flowrate: Figure (4-29) Effect of Feed Temperature on C11 -Paraffin wt fraction:
P Top=200 Kpa, R= 1.1, & T Bottom = 225 oC P Top=200 Kpa, R= 1.1, & T Bottom = 225 oC
0.95
0.9
Benzene wt, fraction
0.85 SRK
ESSO
0.8
P.R
0.75 TSRK
0.7
0.65
0.6
155 165 175 185 195 205
Figure (4-27) Effect of Feed Temperature on Benzene wt fraction:

P Top=200 Kpa, R= 1.1, & T Bottom = 225 oC
61
108.5 0.075
0.07
108
C10-Paraffin wt. fraction

0.065
107.5
SRK SRK
0.06
ESSO ESSO
107
P.R P.R
0.055
TSRK TSRK
106.5
0.05
106
0.045
105.5 0.04
0.6 0.8 1 1.2 1.4 1.6 0.6 0.8 1 1.2 1.4 1.6
Reflux Ratio Reflux Ratio
Figure (4-30) Effect of Reflux Ratio on Top Temperature Figure (4-33) Effect of Reflux Ratio on C10-Paraffin wt. fraction:
P Top=200 Kpa, T Bottom = 225 oC, & T Feed =180oC P Top=200 Kpa, T Bottom = 225 oC, & T Feed =180oC
18600 0.08
18400
0.075
18200
0.07
18000
0.065 SRK
17800 SRK
ESSO ESSO
17600 0.06
P.R P.R
17400 TSRK TSRK
0.055
17200
0.05
17000
0.045
16800
16600 0.04
0.6 0.8 1 1.2 1.4 1.6 0.6 0.8 1 1.2 1.4 1.6
Figure (4-31) Effect of Reflux Ratio on Total Top Flowrate Figure (4-34) Effect of Reflux Ratio on C11-Paraffin wt. fraction:
P Top=200 Kpa, T Bottom = 225 oC, & T Feed =180oC P Top=200 Kpa, T Bottom = 225 oC, & T Feed =180oC
0.91
0.9
0.89
0.88
Benzene wt. fraction
0.87 SRK
ESSO
0.86
P.R
0.85 TSRK
0.84
0.83
0.82
0.81
0.6 0.8 1 1.2 1.4 1.6
Reflux Ratio
Figure (4-32) Effect of Reflux Ratio on Benzene wt. fraction:

P Top=200 Kpa, T Bottom = 225 oC, & T Feed =180oC
62
250
230
210
Tray Temperature (oC)
190
SRK
ESSO
170
P.R
TSRK
150
130
110
90
0 10 20 30 40
Stage no.

P Top=200 Kpa, RR= 1.1, T Bottom = 225 oC, & T Feed = 180 oC
120000
100000
Total Liquid Flowrate (kg/hr)
80000
SRK
ESSO
60000
P.R
TSRK
40000
20000
0
0 5 10 15 20 25 30 35
stage no.
Figure (4-36) Total Liquid Flowrate Profile

P Top=200 Kpa, R= 1.1, T Bottom = 225 oC, & T Feed = 180 oC
45000
40000
35000
30000
SRK
25000 ESSO
20000 P.R
TSRK
15000
10000
5000
0
0 5 10 15 20 25 30 35
stage no.
Figure (4-37) Total Vapor Flowrate Profile

P Top=200 Kpa, R= 1.1, T Bottom = 225 oC, & T Feed = 180 oC
63
1
1
0.9
0.9
0.8 0.8
Benzene wt fraction
Benzene wt. fraction
0.7 0.7
SRK SRK
0.6 0.6
ESSO ESSO
0.5
P.R
0.5 P.R
0.4 TSRK 0.4 TSRK
0.3 0.3
0.2 0.2
0.1 0.1
0 0
0 4 8 12 16 20 24 28 32 0 4 8 12 16 20 24 28 32
Stage no. stage no.
Figure (4-38) Tray Liquid Profile of Benzene wt fraction Figure (4-41) Tray Vapor Profile of Benzene wt. fraction
P Top=200 Kpa, R= 1.1, T Bottom = 225 oC, & T Feed = 180 oC P Top=200 Kpa, R= 1.1, T Bottom = 225 oC, & T Feed = 180 oC
3.50E-01
0.25
3.00E-01
0.2
C10-Paraffin wt fraction 2.50E-01
0.15 SRK SRK

ESSO
2.00E-01
ESSO
P.R P.R
0.1 1.50E-01
TSRK TSRK
0.05 1.00E-01
5.00E-02
0
0 4 8 12 16 20 24 28 32 0.00E+00
Stage no. 0 4 8 12 16 20 24 28 32
Stage no.
Figure (4-39) Tray Liquid Profile of C10-Paraffin wt fraction Figure (4-42) Tray Vapor Profile of C10-Paraffin wt. fraction
P Top=200 Kpa, R= 1.1, T Bottom = 225 oC, & T Feed = 180 oC P Top=200 Kpa, R= 1.1, T Bottom = 225 oC, & T Feed = 180 oC
0.4
4.50E-01
0.35 4.00E-01
0.3 3.50E-01
3.00E-01 SRK
0.25
SRK
2.50E-01 ESSO
ESSO
0.2 P.R
P.R 2.00E-01
TSRK
TSRK
0.15 1.50E-01
0.1 1.00E-01
5.00E-02
0.05
0.00E+00
0
0 4 8 12 16 20 24 28 32
0 4 8 12 16 20 24 28 32
Stage no. Stage no.
Figure (4-40) Tray Liquid Profile of C11-Paraffin wt fraction Figure (4-43) Tray Vapor Profile of C11-Paraffin wt. fraction
P Top=200 Kpa, RR= 1.1, T Bottom = 225 oC, & T Feed = 180 oC P Top=200 Kpa, R= 1.1, T Bottom = 225 oC, & T Feed = 180 oC
64
4-3 PARAFFIN COLUMN
temperature, bottom total flow rate, & bottom components weight fractions (C10 -
paraffin, C11-paraffin, C12-paraffin, & C13-paraffin), at different thermodynamic
models. The figures show the following trends:
ESSO) on the general results is within 5-15 % variation.
2. For bottom temperature increase between 210 oC & 240 oC, the top
temperature slightly increases from about 93 oC to 93.5 oC, whereas
the total bottom flow rate decreases from 7000 kg/hr to 6000 kg/hr.
3. For bottom temperature increase from 240 oC to 260 oC, the top
temperature increases from about 93.5 oC to 95 oC, whereas the total
bottom flow rate decreases from 6000 kg/hr to 2000 kg/hr.
4. For bottom temperature increase between 210 oC & 240 oC, the
bottom components weight fractions of C10 -paraffin, C11-paraffin, C12-
paraffin, & C13-paraffin decrease sharply (high rate of decrease).
Where as they decrease slightly (low rate of decrease) for bottom
temperature above 240 oC.

temperature, bottom total flow rate, & bottom components weight fractions (C10 -
paraffin, C11-paraffin, C12-paraffin, & C13-paraffin), at different thermodynamic
models. The figures show the following trends:
65
2. For feed temperature between 160 C & 200 C, the variation of the top
temperature is very small and can be regarded constant. Whereas the
total bottom flow rate increases slightly from 6250 kg/hr to 6350 kg/hr.
3. For feed temperature between 160 C & 200 C, the variation of the bottom
components weight fractions vary as C10-paraffin 0.006-0.002, C11-paraffin
0.006-0.002, C12 -paraffin 0.017-0.013, & C13-paraffin 0.03-0.05.
systems. Table (4-5) show a comparison between two simulation runs to notice
the effect of increasing light components feed weight fractions (C13-paraffin) and
decreasing heavy components feed weight fractions (C10-LAB & C11-LAB). The
top temperature remains constant at 93.5 oC, where as the total bottom flow rate
decreases (from about 7300 kg/hr to 6300 kg/hr).
and top components weight fractions (benzene, C10-paraffin, C11-paraffin), at
different thermodynamic models. The figures show the following trends:
1. The effect of the thermodynamic models used (SRK, TSRK, PR, and ESSO)
on the general results is within 5-10 % variation.
2. For reflux ratio from 0.3 to 1.2, the variation of the top temperature is very
small and can be regarded constant. Whereas the total bottom flow rate
varies between about 6250 kg/hr to 6400 kg/hr, with the minimum value at
reflux ratio of 0.5.
3. For reflux ratio from 0.3 to 1.2, the variation of the bottom components
weight fractions vary as (C10-paraffin 0.001-0.005(maximum value at R=0.5),
C11-paraffin 0.001-0.005(maximum value at R=0.5), C12-paraffin 0.008-
0.016(maximum value at R=0.5), & C13-paraffin 0.03-0.06(minimum value at
R=0.5).
66
4-3-5 Paraffin Column Profiles
The figures (4-62) to (4-72) show the temperature & composition profiles
for benzene column. The figures show that the effect of the thermodynamic models
used (SRK, TSRK, PR, and ESSO) on the general results is within 5% variation,
except the vapor component weight fractions, the variations are within 10-25% &
higher.
4.3.6: Comparison of Results of Paraffin Column

The comparison of the simulated results with plant Paraffin column
the total top Flowrate from the actual value is less than 11%, witch can be
attributed to the uncertainty or the difference of feed concentration.
The high deviations of simulated bottom weight fractions of paraffin with the
plant values can be noticed
67
Table (4-5) Effect of Feed Concentration; a Comparison Between Two CHEMCAD Simulation Runs of
Paraffin Column.
Stream No. 1 2 3
Stream Name FEED top product bottom produ
Temp C 178.0000* 93.2471 232.0000*
Pres kPa 200.0000* 7.0000 20.0000*
Enth MW -27.777 -29.792 -1.1530
Total kmol/h 390.3695 359.6601 30.7094
Total kg/h 63707.0058 56417.0000 7290.0152
Total std L m3/h 84.0950 75.5622 8.5327
Total std V m3/h 8749.60 8061.29 688.31
Benzene 0.009000 0.010163 0.000000
N-Decane 0.198123 0.223669 0.000426
N-Undecane 0.363047 0.409359 0.004638
N-Dodecane 0.237213 0.265930 0.014976
N-Tridecane 0.083515 0.090862 0.026654
Decylbenzene 0.027710 0.000012 0.242062
heavy alkylate 0.008268 0.000000 0.072251
Stream No. 1 2 3
Stream Name FEED top product bottom produ
Temp C 178.0000* 93.6413 232.0000*
Pres kPa 200.0000* 7.0000 20.0000*
Enth MW -28.050 -30.308 -0.99527
Total kmol/h 391.3524 365.1519 26.2006
Total kg/h 63707.0058 57427.3101 6279.6967
Total std L m3/h 84.2496 76.8935 7.3561
Total std V m3/h 8771.64 8184.39 587.25
Benzene 0.009000 0.009984 0.000000
N-Decane 0.198123 0.219743 0.000409
N-Undecane 0.363047 0.402243 0.004603
N-Dodecane 0.237213 0.261490 0.015204
N-Tridecane 0.099212 0.106526 0.032324
Decylbenzene 0.019862 0.000010 0.201406
heavy alkylate 0.008268 0.000000 0.083875
Table( 4-6): Comparison between simulated and plant data of Paraffin Column at; T feed =178 oC,
P top =7 Kpa ,T bottom =232 oC & R = 0.5
Variable Plant Simulated %Deviation
Top temperature (oC) 93 93.6 - 0.645%
Total Top Flowrate (kg/hr) 7128 6350 - 10.91 %
C10-paraffin wt fraction in bottom 0.00024 0.0004 + 66.67%
C11-paraffin wt fraction in bottom 0.00045 0.005 + 1011%
C12-paraffin wt fraction in bottom 0.00029 0.015 + 5072%
C13-paraffin wt fraction in bottom 0.00013 0.032 +24515%
68
98
0.018
97 0.016
C11-Paraffin wt fraction in bottom

0.014
96
0.012
SRK
SRK
95 0.01 ESSO
ESSO
P.R 0.008 P.R
94 TSRK TSRK
0.006
93
0.004
92
0.002
0
91 200 210 220 230 240 250 260 270
200 210 220 230 240 250 260 270
BottomTemperature (oC)
Figure (4-44) Effect of Bottom Temperature on Top Temperature Figure (4-47) Effect of Bottom Temperature on C11-Paraffin wt fraction in
P Top= 7 Kpa, T Feed = 178 oC, & R = 0.5 bottom
P Top= 7 Kpa, T Feed = 178 oC, & R = 0.5
8000
0.05
7000 0.045

0.04
6000
Total Bottom Flowrate (kg/hr)
0.035
5000 0.03 SRK
SRK
ESSO
ESSO 0.025
4000
P.R P.R
TSRK 0.02 TSRK
3000
0.015
2000 0.01
1000
0.005
0
0 200 210 220 230 240 250 260 270
200 210 220 230 240 250 260 270
BottomTemperature (oC)
Figure (4-45 Effect of Bottom Temperature on Total Bottom Flowrate Figure (4-48) Effect of Bottom Temperature on C12-Paraffin wt fraction in
0.0016 0.12
0.0014
0.1
0.0012
0.08
0.001 SRK SRK
ESSO ESSO
0.0008 0.06
P.R P.R
0.0006 TSRK TSRK
0.04
0.0004
0.02
0.0002
0 0
200 210 220 230 240 250 260 270 200 210 220 230 240 250 260 270
BottomTemperature (oC) BottomTemperature (oC)
Figure (4-46) Effect of Bottom Temperature on C10-Paraffin wt fraction in bottom Figure (4-49) Effect of Bottom Temperature on C13-Paraffin wt fraction in
69
96 0.007
95.5
0.006
C11-Paraffin wt fraction inbottom

95
0.005
94.5
SRK 0.004 SRK
94
ESSO ESSO
93.5 P.R P.R
0.003
TSRK TSRK
93
0.002
92.5
0.001
92
91.5 0
150 160 170 180 190 200 210 150 160 170 180 190 200 210
Figure (4-50) Effect of Feed Temperature on Top Temperature Figure (4-53) Effect of Feed Temperature on C11-Paraffin wt fraction in bottom:
P Top= 7 Kpa, T Bottom = 232 oC, & R = 0.5 P Top= 7 Kpa, T Bottom = 232 oC, & R = 0.5
6380 0.018
6360
0.017
6340 C12-Paraffin wt fraction in bottom
Total Bottom Flowrate (kg/hr
0.016
6320
SRK SRK
6300 0.015
ESSO ESSO
6280 P.R P.R
0.014
TSRK TSRK
6260
0.013
6240
0.012
6220
6200 0.011
150 160 170 180 190 200 210 150 160 170 180 190 200 210
Figure (4-51) Effect of Feed Temperature on Total Bottom Flowrate Figure (4-54) Effect of Feed Temperature on C12 -Paraffin wt fraction in bottom:
0.025 0.06
0.05
C10-Paraffin wt fraction inbottom
0.02
0.04
0.015 SRK SRK
ESSO ESSO
0.03
P.R P.R
0.01 TSRK TSRK
0.02
0.005
0.01
0 0
150 160 170 180 190 200 210 150 160 170 180 190 200 210
Feed Temperature (oC) Feed Temperature(oC)
Figure (4-52) Effect of Feed Temperature on C10-Paraffin wt fraction in bottom: Figure (4-55) Effect of Feed Temperature on C13 -Paraffin wt fraction in bottom:
70
100 0.006
99
0.005

98
97
0.004
96 SRK SRK
ESSO ESSO
95 0.003
P.R P.R
94 TSRK TSRK
0.002
93
92
0.001
91
90 0
0 0.2 0.4 0.6 0.8 1 1.2 1.4 0 0.2 0.4 0.6 0.8 1 1.2 1.4
Figure (4-56) Effect of Reflux Ratio on Top Temperature Figure (4-59) Effect of Reflux Ratio on C11-Paraffin wt. fraction in bottom
P Top= 7 Kpa, T Bottom = 232 oC, & T Feed = 178 oC P Top= 7 Kpa, T Bottom = 232 oC, & T Feed = 178 oC
6440 0.018
6420
0.016

6400
0.014
Total Bottom Flowrate (kg/hr
6380
0.012
6360
SRK SRK
6340 0.01
ESSO ESSO
6320 P.R P.R
0.008
TSRK TSRK
6300
0.006
6280
0.004
6260
6240 0.002
6220 0
0 0.2 0.4 0.6 0.8 1 1.2 1.4 0 0.2 0.4 0.6 0.8 1 1.2 1.4
Figure (4-57) Effect of Reflux Ratio on Total Bottom Flowrate Figure (4-60) Effect of Reflux Ratio on C12-Paraffin wt. fraction in bottom
0.00045 0.07
0.0004
0.06
0.00035
0.05
0.0003
SRK
0.04 SRK
0.00025 ESSO
ESSO
P.R
0.0002 P.R
TSRK 0.03
TSRK
0.00015
0.02
0.0001
0.00005 0.01
0
0
0 0.2 0.4 0.6 0.8 1 1.2 1.4
0 0.2 0.4 0.6 0.8 1 1.2 1.4
Reflux Ratio
Reflux Ratio
Figure (4-58) Effect of Reflux Ratio on C10-Paraffin wt. fraction in bottom Figure (4-61) Effect of Reflux Ratio on C13-Paraffin wt. fraction in bottom
71
250
230
210
190
Temperature (oC)
SRK
170
ESSO
P.R
150
TSRK
130
110
90
70
0 5 10 15 20 25 30 35 40
stage no.

P Top= 7 Kpa, T Bottom = 232 oC, T Feed = 178 oC, & R=0.5
80000
70000
Total Liquid Flowrate (kg/hr)
60000
50000 SRK
ESSO
40000
P.R
30000 TSRK
20000
10000
0
0 5 10 15 20 25 30 35 40
stage no.
Figure (4-63) Total Liquid Profile

90000
85000
80000
75000
70000 SRK
ESSO
65000
P.R
60000 TSRK
55000
50000
45000
40000
0 5 10 15 20 25 30 35 40
stage no.
Figure (4-64) Total Vapor Profile

72
0.25 0.5
0.45
0.2 0.4
0.35
0.15 SRK 0.3 SRK

ESSO ESSO
0.25
P.R P.R
0.1 TSRK 0.2 TSRK
0.15
0.05 0.1
0.05
0 0
0 5 10 15 20 25 30 35 40 0 5 10 15 20 25 30 35 40
Stages No. Stages No.
Figure (4-65) Tray Liquid Profile of C10-Paraffin wt fraction. Figure (4-68) Tray Liquid Profile of C13-Paraffin wt fraction.
P Top= 7 Kpa, T Bottom = 232 oC, T Feed = 178 oC, & R=0.5 P Top= 7 Kpa, T Bottom = 232 oC, T Feed = 178 oC, & R=0.5
0.45
0.4
0.35
0.3
SRK
0.25
ESSO
0.2 P.R
TSRK
0.15
0.1
0.05
0
0 5 10 15 20 25 30 35 40
Stages No.
Figure (4-66) Tray Liquid Profile of C11-Paraffin wt fraction.

0.4
0.35
0.3
C12-paraffin wt fraction
0.25
SRK
ESSO
0.2
P.R
0.15 TSRK
0.1
0.05
0
0 5 10 15 20 25 30 35 40
Stages No.
Figure (4-67) Tray Liquid Profile of C12-Paraffin wt fraction.

73
0.25 0.25
0.2 0.2
0.15 SRK 0.15 SRK

ESSO ESSO
P.R P.R
0.1 TSRK 0.1 TSRK
0.05 0.05
0 0
0 5 10 15 20 25 30 35 40 0 5 10 15 20 25 30 35 40
Stages No. Stages No.
Figure (4-69) Tray Vapor Profile of C10-Paraffin wt fraction Figure (4-72) Tray Vapor Profile of C13-Paraffin wt fraction
P Top= 7 Kpa, T Bottom = 232 oC, T Feed = 178 oC, & R=0.5 P Top= 7 Kpa, T Bottom = 232 oC, T Feed = 178 oC, & R=0.5
0.45
0.4
0.35
0.3
SRK
0.25
ESSO
0.2 P.R
TSRK
0.15
0.1
0.05
0
0 5 10 15 20 25 30 35 40
Stages No.
Figure (4-70) Tray Vapor Profile of C11--Paraffin wt fraction

0.35
0.3
0.25
SRK
0.2
ESSO
P.R
0.15
TSRK
0.1
0.05
0
0 5 10 15 20 25 30 35 40
Stages No.
Figure (4-71) Tray Vapor Profile of C12--Paraffin wt fraction

74
4-4 RE-RUN COLUMN
temperature, bottom total flow rate, & bottom components weight fractions (C10-
LAB, C11-LAB, C12-LAB, & C13-LAB), at different thermodynamic models. The
figures show the following trends:
2. For bottom temperature between 185 oC & 195 oC, the top temperature
increases from about 141 oC to 145 oC, the total bottom flow rate
increases from 4500 kg/hr to 7000 kg/hr, & the bottom total flow rate
decreases (from about 2500 kg/hr to 150 kg/hr), whereas the bottom
components weight fractions decrease (C10-LAB (0.08-0.005), C11-LAB
(0.2-0.02), C12-LAB (0.2-0.02), & C13-LAB (0.1-0.01)).
temperature, top total flow rate, & top components weight fractions (C10-LAB, C11-
LAB, C12-LAB, & C13-LAB), at different thermodynamic models. The figures show
the following trends:
ESSO) on the general results is within 5-25 % variation, except PR
thermodynamic model, the variation is above 25%.
2. For feed temperature between 130 C & 250 C, the variation of the top
temperature, the top total flow rate, & top components weight fractions
(C10-LAB, C11-LAB, C12-LAB, & C13-LAB) remain constant.
75
systems. Table (4-7) show a comparison between two simulation runs to notice
the effect of increasing light component feed weight fraction (C11-LAB) and
decreasing heavy component feed weight fraction (C12-LAB). The top
temperature decreases slightly from 144.8 oC to 144.7 oC, the top total flow rate
increases (from about 6000 kg/hr to 6700 kg/hr), & the bottom total flow rate
decreases (from about 1200 kg/hr to 500 kg/hr).
top total flowrate, & top components weight fractions (C10-LAB, C11-LAB, C12-LAB,
& C13-LAB), at different thermodynamic models. The figures show the following
trends:
1. For reflux ratio between 0.5-2.5, the effect of the thermodynamic models
used (SRK, TSRK, PR, and ESSO) on the general results is within 5-25%
variation, except PR thermodynamic model, the variation is above 25%.
2. Increasing reflux ratio from 0.5 to 2.5, the top temperature decreases slightly
from about 145.5 oC to 144.5 oC, the total top flow rate decreases from 6800
kg/hr to 6300 kg/hr, where as the top LAB weight fractions increase slightly
except C13 LAB which decreases slightly (C10-LAB (0.18-0.19), C11-LAB
(0.34-0.35), C12-LAB (0.264-0.265), & C13-LAB (0.129-0.125)).
4.4.5: Comparison of Results of Re-run Column

The comparison of the simulated results with plant Re-run column
the total top Flowrate from the actual value is less than 2%.
High deviation of heavy alkylate top weight fraction can be noticed.
76
Table (4-7) Effect of Feed Concentration; a Comparison Between Two CHEMCAD Simulation
Runs of Re-Run Column.
Stream No. 1 2 3
Stream Name feed stream top product bottom produ
Temp C 198.0000* 144.7994 191.0000
Pres kPa 320.0000* 0.6670 2.0970
Enth MJ/hr -4522.8 -4685.5 -643.94
Total kmol/hr 29.4363 24.8430 4.5934
Total kg/hr 7218.0017 6006.6469 1211.3550
Total std L m3/h 8.4196 7.0126 1.4070
Total std V m3/h 659.78 556.82 102.95
N-Decane 0.000090 0.000107 0.000002
N-Undecane 0.001709 0.002044 0.000050
N-Dodecane 0.008887 0.010593 0.000430
N-Tridecane 0.002530 0.003000 0.000202
Decylbenzene 0.175196 0.195143 0.076285
heavy alkylate 0.085208 0.056779 0.226177
Stream No. 1 2 3
Stream Name feed stream top product bottom produ
Temp C 198.0000* 144.7120 191.0000
Pres kPa 320.0000* 0.6670 2.0970
Enth MJ/hr -4456.6 -5119.7 -224.02
Total kmol/hr 29.9262 28.0268 1.8994
Total kg/hr 7218.0012 6699.9292 518.0727
Total std L m3/h 8.4044 7.8049 0.5995
Total std V m3/h 670.75 628.18 42.57
N-Decane 0.000090 0.000096 0.000001
N-Undecane 0.001709 0.001838 0.000040
N-Dodecane 0.008887 0.009548 0.000346
N-Tridecane 0.002530 0.002713 0.000163
Decylbenzene 0.175196 0.183692 0.065319
heavy alkylate 0.085208 0.065183 0.344181
Table ( 4-8 ): Comparison between simulated & plant data of Re-Run Column at; T feed =198 oC,
P top =0.667 Kpa ,T bottom =191 oC & R = 1.623
Variable Plant Simulated %Deviation

Top temperature (oC) 144 144.76 + 0.35%
Total Top Flowrate (kg/hr) 6510 6422 - 1.67%
Heavy Alkylat Top wt Fraction 0.042 0.061 -45.24 %
77
147 0.25
146
C11-LAB wt, fraction in bottom

0.2
145
SRK 0.15 SRK

144
ESSO ESSO
P.R P.R
143
TSRK 0.1 TSRK
142
0.05
141
140 0
184 186 188 190 192 194 196 184 186 188 190 192 194 196
BottomTemperature(oC) Bottom Temperature (oC)
Figure (4-73) Effect of Bottom Temperature on Top Temperature Figure (4-76) Effect of Bottom Temperature on C11-LAB wt fraction in
P Top=0.667 Kpa, RR = 1.623, & T Feed =198 oC bottom section
P Top=0.667 Kpa, RR = 1.623, & T Feed =198 oC
7500 0.25
7000

0.2
6500
SRK 0.15 SRK

6000
ESSO ESSO
P.R P.R
5500
TSRK 0.1 TSRK
5000
0.05
4500
4000 0
184 186 188 190 192 194 196 184 186 188 190 192 194 196
BottomTemperature (oC) Bottom Temperature (oC)
Figure (4-74) Effect of Bottom Temperature on Total Top Flowrate Figure (4-77) Effect of Bottom Temperature on C12-LAB wt fraction in
P Top=0.667 Kpa, RR = 1.623, & T Feed =198 oC bottom section
P Top=0.667 Kpa, RR = 1.623, & T Feed =198 oC
0.1 0.12
0.09
0.1
0.08
0.07
0.08
0.06 SRK SRK
ESSO ESSO
0.05 0.06
P.R P.R
0.04 TSRK TSRK
0.04
0.03
0.02
0.02
0.01
0 0
184 186 188 190 192 194 196 184 186 188 190 192 194 196
Bottom Temperature (oC) Bottom Temperature (oC)
Figure (4-75) Effect of Bottom Temperature on C10-LAB wt fraction in bottom Figure (4-78) Effect of Bottom Temperature on C13-LAB wt fraction in
section bottom section
P Top=0.667 Kpa, RR = 1.623, & T Feed =198 oC P Top=0.667 Kpa, RR = 1.623, & T Feed =198 oC
78
145 0.27
0.26
144.8
0.25
C12-LAB wt fraction in bottom

144.6
0.24
0.23
144.4 SRK
ESSO 0.22 SRK
144.2 P.R ESSO
TSRK 0.21
144 P.R
0.2 TSRK
143.8 0.19
143.6
0.18
0.17
143.4
0.16
143.2 0.15
0 50 100 150 200 250 300
0 50 100 150 200 250 300
Figure (4-79 Effect of Feed Temperature on Top Temperature Figure (4-82) Effect of Feed Temperature on C12-LAB wt Fraction in bottom
P Top=0.667 Kpa, RR = 1.623, & T Bottom = 191 oC P Top=0.667 Kpa, RR = 1.623, & T Bottom = 191 oC
1400
0.19
1200

0.18
1000
Total Bottom Flowrate (kg/hr)
SRK
ESSO
800
SRK
P.R
ESSO
TSRK 0.17
P.R
600
TSRK
400
0.16
200
0
0.15
0 50 100 150 200 250 300
0 50 100 150 200 250 300
Figure (4-80) Effect of Feed Temperature on Total Bottom Flowrate Figure (4-83) Effect of Feed Temperature on C13-LAB wt Fraction in bottom
P Top=0.667 Kpa, RR = 1.623, & T Bottom = 191 oC P Top=0.667 Kpa, RR = 1.623, & T Bottom = 191 oC
0.23
0.22
0.21
0.2
SRK
ESSO
0.19
P.R
0.18 TSRK
0.17
0.16
0.15
0 50 100 150 200 250 300
FEED TEMPERATURE
Figure (4-81) Effect of Feed Temperature on C11-LAB wt Fraction in bottom

P Top=0.667 Kpa, RR = 1.623, & T Bottom = 191 oC
79
146
0.36
145.5 0.355
C11- LAB,wt fraction

145 0.35
Top Temperature oC
SRK
SRK ESSO
ESSO 0.345 P.R
144.5
P.R TSRK
TSRK
0.34
144
0.335
143.5
0.33
0 0.5 1 1.5 2 2.5 3
143
Reflux Ratio
0 0.5 1 1.5 2 2.5 3
Reflux Ratio
Figure (4-84) Effect of Reflux Ratio on Top Temperature Figure (4-87) Effect of Reflux Ratio on C11-LABwt fraction in Top section
P Top=0.667 Kpa, T Bottom = 191 oC, & T Feed =198oC P Top=0.667 Kpa, T Bottom = 191 oC, & T Feed =198oC
7200 0.2652
0.265
7000
0.2648
6800 0.2646
Total Top Flowrate(kg/hr)
SRK 0.2644 SRK

6600
ESSO ESSO
0.2642
P.R P.R
6400 TSRK 0.264 TSRK
0.2638
6200
0.2636
6000
0.2634
5800
0.2632
0 0.5 1 1.5 2 2.5 3 0 0.5 1 1.5 2 2.5 3
Figure (4-85 Effect of Reflux Ratio on Total Top Flowrate Figure (4-88) Effect of Reflux Ratio on C12-LAB wt fraction in Top section
0.2 0.134
0.196
0.132
0.192
0.188 0.13
C13-LAB,wt fraction
0.184 SRK SRK

0.128
ESSO ESSO
0.18
P.R P.R
0.126
0.176 TSRK TSRK
0.172 0.124
0.168
0.122
0.164
0.16 0.12
0 0.5 1 1.5 2 2.5 3 0 0.5 1 1.5 2 2.5 3
Figure (4-86) Effect of Reflux Ratio on C10-LAB wt fraction in Top section Figure (4-89) Effect of Reflux Ratio on C1-LAB wt fraction in Top section
80
Chapter “5”:
CONCLUSIONS
AND
RECOMMENDATI
ONS
CHAPTER 5: CONCLUSIONS AND RECOMMENDATIONS
5-1 CONCLUSIONS
The following conclusions can be drawn from the present work:
1. Four different thermodynamic models options (SRK, TSRK, PR, and ESSO)
were used, affecting the results within 1-25% variation for the most cases.
2. For HF-stripper (21 real stages, feed stage 1), the simulated results show
that about 5% of paraffin (C10 & C11) presents at the top stream which may
cause a problem in the LAB production plant.
3. The major variation was noticed for the total top vapor flow rate with bottom
temperature and with feed composition.
4. The HF stripping column profiles maintain fairly constants from tray 5
(immediately below feed) through tray 18 (immediately above reboiler).
These trays can be removed without severely affected the column profile.
5. For benzene column (32 real stages, feed stage 14), the simulated results
show that bottom temperature above 200 oC the weight fractions of top
components, except benzene, increases sharply, whereas benzene top
weight fraction decreasing sharply. Also, feed temperature above 180 oC
shows same trends.
6. The benzene column profiles remain fairly constant from tray 3 (immediately
below condenser) to tray 10 (immediately above feed) and from tray 15
(immediately below feed) to tray 25 (immediately above reboiler).
7. For paraffin column (38 real stages, feed stage 16), the simulated results
show that bottom temperature above 240 oC is not recommended because
the total bottom flow rate decreases sharply, whereas the weight fractions
of paraffin decrease slightly.
8. For rerun column (two packing sections, feed 2nd section) the simulated
results show that critical change of bottom temperature effect was noticed
81
for the bottom flow rate decrease from about 2500 kg/hr to 150 kg/hr for
bottom temperature increase from 185 oC to 195 oC.
9. Simulation of the four columns in LAB production plant using CHEMCAD
simulator, confirms the real plant operations data, specially with the top
temperature and total top and bottom flowrate (with in 10% variation).
10. High deviation of simulated top and bottom components weight fractions
with plant values were noticed.
5-2 RECOMMENDATIONS
1. The present study can be extended using other process simulators such
as, ASPENPLUS, HYSYS, PRO/II .. , or choosing other individual
equipment, connected units, or entire LAB plant.
2. Recommendations for process simulation studies on other existing
chemical plants, such as, Fertilizers plant (Fertilizers Industries Company/
Beiji-Iraq) and North Petroleum Refining Company/ Beiji-Iraq.
82
References
1. Peters,M.S. and Timmerhaus, K.D., West, R.E., Plant Design and

Economics for Chemical Engineers,5thed., McGraw-Hill, New York,
2003.
2. Turton, R., Bailie, R.C, Whiting, W.B. and Shaeiwitz, J.A., Analysis,
Synthesis, and Design of Chemical Processes, 2nd ed., Prentice Hall, New
Jersey, 2003.
3. Biegler, L. T., Grossmann, I. E., and Westerberg, Systematic Methods of

Chemical Process Design, Prentice Hall, New Jersey, 1997.
4. Sinnot, R. K., Coulson ,J. M., Richardson ,J. F. , Chemical Engineering :

An Introduction to Design , Vol.(6) , 2nd. Ed. , Butterworth Heinemann,
Oxford, 1993.
5. Himmelblau ,D.M. ,Riggs , J.B. , Basic Principles and Calculation in

Chemical Engineering ,7th ed. , Prentice Hall, New Jersey, 2004.
6. Seider, W.D., Seader, J.D., Lewin, D.R., Product and Process Design
Principles, Synthesis, Analysis and Evaluation, 2nd, ed., John Wiley and
Sons, Inc., New York, 2004.
7. Foo , D. M. ,Manan , Z. A. ,Selvan , M. , and McGuire , M. L. ,Integrate

Process Simulation & Process Synthesis ,CEP (10)25-29 (October 2005).
8. CHEMCAD User's Guide.
9. Arab Detergent Company; LAB production plant Field data, Beiji-Iraq.
10. Meyers, R., A., Handbook Petroleum Refining Processes, 2nd ed.,
McGraw-Hill, New Yyork,1997.
11. Ahmed Daaboul & Sons Co. for Detergents
12. Taylor , R. , Krishna , R. , and Kooijman , H. , Real-World Modeling of

Distillation , CEP (7)28-38 (July 2003).
13. Lewis, W. K., and Matheson, G. L., Ind. & Eng. Chem., 24, 494 (1932).
(cited in Ref. 4)
14. Thiele, E. W., and Geddes, R. L., Ind. & Eng. Chem., 25, 289 (1932).
(cited in Ref. 4)
83
Appendix
“A”:
Typical Field Data

Table (A1) Typical Field Data specification of HF- stripper
(Arab Detergent Company)
Component Feed Top Bottom

product product
Temperature , 102 135 175
oC
Pressure , Kpa 420 340 360
Flow rate Kg/hr 87585 11670 75915
HF 0.00333406131 0.025 0
Benzene 0.2893438698 0.975 0.183838
C10—paraffin 0.138489129 ? 0.159799
C11—paraffin 0.2630186368 ? 0.303491
C12—paraffin 0.1657250937 ? 0.191226
C13—paraffin 0.07050733071 ? 0.081357
C10—LAB 0.01479858229 0.017076
C11—LAB 0.02089618633 0.024112
C12—LAB 0.01671867888 0.019291
C13—LAB 0.01101028361 0.012705
HAB 0.00615814763 0.007106
Column
Diameter(D)
2000mm
No of trays 20 sieves tray
No of stages 21 stages (with reboiler)
Trays pacing 600mm
No. of holes 1260
do 13mm
Qr 21356 MJ/hr
Table (A2) Typical Field Data specification of Benzene Column
Component Feed Top Bottom product

product
Temperature, 180 100 225
oC
Pressure , 400 200 220
Kpa
Flow rate,
Kg/hr
75753 15826 59927
HF 0 0 0
Benzene 0.208972 1 0.000095
C10—paraffin 0.153242 0.193707212
C11—paraffin 0.293817 0.371401825
?
C12—paraffin 0.18605 0.235177342
C13—paraffin 0.0793669 0.100324229
C10—LAB 0.0167034 0.021114017
C11—LAB 0.0235897 0.029818716
?
C12—LAB 0.018875 0.023859041
C13—LAB 0.012431 0.015713429
HAB 0.0069531 0.008789075
D str. 2500mm
D rec. 1400mm
Tray spacing 600mm
Tray holes 1942
do 13mm
No. of trays above
feed 12 trays, 13 stages(with condenser)
No. of trays below
feed 18 trays, 19 stages(with reboiler)
Qc 11367 MJ/hr
Qr 18288 MJ/hr
Reflux
1.1
Ratio(R)
Table (A3) Typical Field Data specification of Paraffin Column
Component Feed Top Bottom

product product
Temperature , 178 93 232
oC
Pressure , 200 7 20
Kpa
Flow rate, 63707 56579 7128
Kg/hr
Benzene 0.00009 0.000101 0

C10—paraffin 0.19874 0.21201 0.00024
C11—paraffin 0.3808 0.4185 0.00045
C12—paraffin 0.23169 0.24431 0.00029
C13—paraffin 0.09974 0.11202 0.00013
C10—LAB 0.01959 0.0085 0.09184
C11—LAB 0.02827 0.00098 0.3671
C12—LAB 0.02325 0.00231 0.32511
C13—LAB 0.01416
0.00121 0.15311
HAB 0.002867 0 0.0611
D str. 2800mm
D rec. 5600mm
Tray spacing 600mm
Tray holes 1942
do 13mm
No. of trays above 15 trays, 16 stages(with
feed
condenser)
No. of trays below
feed 21 trays, 22 stages(with reboiler)
Qc 31212 MJ/hr
Qr 22363 MJ/hr
Reflux
0.5
Ratio(R)
Table (A4) Typical Field Data specification of Re-run Column
Component Feed Top product Bottom product

Temperature , oC 198 144 191
Pressure , Kpa 320 0.6670 2.097
Flow rate, Kg/hr 7128 6510 618
HF 0.00000 0.00000 0.0000
Benzene 0.00009 0.0001 0.0000
C10—paraffin 0.000090 0.00026 0.0000
C11—paraffin 0.001709 0.00049 0.0000
C12—paraffin 0.008887 0.00032 0.0000
C13—paraffin 0.002530 0.00014 0.0000
C10—LAB 0.175196 0.09340 0.075407
C11—LAB 0.330947 0.36657 0.257343
C12—LAB 0.262763 0.31637 0.301837
C13—LAB 0.132669 0.17566 0.08443
HAB 0.085208 0.0416 0.266028
Section 1 packing
4600mm
height
Section 2 packing
4600mm
height
Dp 2800 mm
Packing type Metal pall ring
Packing size 50 mm
a P.S 112.6 m2/m3
Qc 7338.153 MJ/hr
Qr 5489.230 MJ/hr
R 1.623
Appendix
“B”:
Simulation Raw Data

Process Simulation Study Using CHEMCAD Software For The Separation Columns For Linear Alkyl Benzene (LAB) Plant

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PROCESS SIMULATION STUDY USING

CHEMCAD® SOFTWARE FOR THE

2006 A.D 1427 A.H

I certify that this thesis has been prepared under my supervision as a

Name: Dr. Zaid A. Abdel-Rahman

In view of that available recommendation I forward this thesis for

We certify that we have read this thesis and as Examining Committee

Name: Dr.Riadh H. Hasan Name: Dr. Duraid F. Ahmed

Name: Dr. Zaid A. Abdel-Rahman Name: Dr.Abdul Mun'em A. Karim

Approve by the council of the college of engineering

In the name of ‘Allah’ most gracious most merciful

a p.s: Interfacial area, packing surface, (m2/m3)

H lB : Total liquid enthalpy of bottom product (MJ/hr)

H l , N −1 : Total liquid enthalpy on bottom stage (MJ/hr)

H v ,1 : Total vapor enthalpy on condenser (MJ/hr)

H vB : Total vapor enthalpy of bottom product (MJ/hr)

KiB : Constant of thermodynamic option on reboiler

L0 : Total liquid flowrate refluxed to top stage (kg/hr)

LN −1 : Total liquid flowrate to reboiler (kg/hr)

PV j : Vapor product from stage (j)

Q C : Condensed duty, (MJ/hr)

R : Reflux Ratio (ratio of liquid refluxed to the distillate rate)

V1 : Total vapor flowrate input to condenser (kg/hr)

x Dhk : Weight fraction of heavy key in top product

x Dlk : Weight fraction of light key in top product

xiB : Liquid mole fraction of component (i) in bottom product

xij : Liquid mole fraction of component (i) in stage (j)

xi , N −1 : Liquid mole fraction of component (i) in bottom stage

yi ,1 : Vapor mole fraction of component (i) in condenser

yiB : Vapor mole fraction of component (i) in bottom product

yi , j +1 : Vapor mole fraction of component (i) in stage (j+1)

ESSO: Maxwell-Bonnell Vapor Pressure Equation of state

As with all other aspects of engineering as well as those in everyday living,

Major sections of typical process simulator are:

Although normal mono-olefins (reaction A) are the desired product, the

Relative yield is defined as:

Catalyst life is defined as:

2.1.2 UOP HF-Alkylation Process

Equipment Description Notes

1st stage D=4900mm,L=18400mm,Horizontal - The settler is used to separate the

Benzene Dstripper section=2500mm -Standard distillation column,

Table (2-1) Continued

HF Alkylation : 1st stage

HF & Benzene recycle

HF stripper column HF neutralization

Benzene distillation Heavy polymer to furnace

Paraffin- Olefin Hydrogen to furnace Paraffin column

Light gas to furnace LAB column

Paraffin recycle to PACOL

Figure (2-2).The Structure of a Typical Process Simulator. (2)

2.2.2 Modular Based Process Simulators (5)

Figure (2-4) Typical Process Modules Used in Process Simulators. (5)

( n + 2) specifications completely define the stream. This is a consequence of the

The Fenske equation is:

α N = (α N .α N −1 .........α 1 ) ……………………………………….......... (2-2)

The Underwood equation can be written as:

Such that αhk ≤ θ ≤ αlk .

The complexity of multicomponent distillation calculations can be

And similarly the reboiler equations are given by:

location, and the feed flowrate, composition, and enthalpy ( N T .( N C + 1)

CHEMCAD simulator has the most features of process simulators

3.1 BASIC STEPS (8)

3.1.2 DRAWING THE FLOWSHEET (8)