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IFAC-PapersOnLine 49-13 (2016) 199–204
Estimation
Estimation of
of variation
variation in
in Vapour
Vapour Liquid
Liquid Equilibrium
Equilibrium constants
constants for
for modeling
modeling aa
Estimation
Estimation of variation in Vapour Liquid Equilibrium constants for modeling a
Estimation of
of variation in
in Vapour
Vapour Liquid
multicomponent
variation
multicomponent crude
Liquid
crude Equilibrium
distillation
Equilibrium
distillation constants
constants for
column
column for modeling
modeling aa
multicomponent
multicomponent crude
crude distillation column
multicomponent crude distillation
distillation column
column
Ganesh Muralidharan1, Anuj Abraham2, N. Pappa3
1 2 3
1 Ganesh Muralidharan 1, Anuj Abraham2, N. Pappa3
1PG Student, Dept. of Instrumentation
Ganesh
GaneshEngg., Madras Institute
Muralidharan
Muralidharan 1, AnujofAbraham
, Anuj Technology
Abraham 2, N.
, Campus,
N. Pappa33Anna University Chennai, India.
Pappa
2 1PG Student, Dept. of InstrumentationGaneshEngg., Madras Institute
Muralidharan 1
Anujof
,Institute Technology
Abraham 2 Campus,
, N. Pappa Anna University Chennai, India.
2Research Scholar,
1PG Student,
13PG Student,
Dept.
Dept.
Dept. of
of of Instrumentation
Instrumentation
Instrumentation Engg.,
Engg.,
Engg., Madras
Madras
Madras Institute
Institute of
of of Technology
Technology
Technology Campus,
Campus,
Campus, Anna
Anna
Anna University
University
University Chennai,
Chennai,
Chennai, India.
India.
India.
2Research
PG Scholar,
Student, Dept.
Dept. of of Instrumentation
Instrumentation Engg.,
Engg., Madras
Madras Institute
Institute of of Technology
Technology Campus,
Campus, Anna
Anna University
University Chennai,
Chennai, India.
India.
Asso.
2Research
2Research
3 Prof., Dept.
Scholar,
Scholar, of
Dept.
Dept. Instrumentation
of
of Engg.,
Instrumentation
Instrumentation Madras
Engg.,
Engg., Institute
Madras
Madras of
Institute
InstituteTechnology
of
of Technology
TechnologyCampus, Anna
Campus,
Campus, University
Anna
Anna Chennai,
University
University India.
Chennai,
Chennai, India.
India.
3Asso. Prof.,
Research Dept.
Scholar, of
Dept. Instrumentation
of Engg.,
Instrumentation Madras
Engg., Institute
Madras of
InstituteTechnology
of TechnologyCampus, Anna
Campus, University
Anna Chennai,
University India.
Chennai, India.
muraliganesh92@gmail.com,
3Asso. Prof., Dept. of
3Asso. Prof., Dept. of Instrumentation
Instrumentation Engg.,
Engg., anuj1986aei@gmail.com,
Madras
Madras Institute
Institute of
of Technology
Technology npappa@rediffmail.com
Campus,
Campus, Anna
Anna University
University Chennai,
Chennai, India.
India.
muraliganesh92@gmail.com, anuj1986aei@gmail.com, npappa@rediffmail.com
Asso. Prof., Dept. of Instrumentation Engg., Madras Institute  of Technology Campus, Anna University Chennai, India.
muraliganesh92@gmail.com,
muraliganesh92@gmail.com, anuj1986aei@gmail.com, npappa@rediffmail.com
muraliganesh92@gmail.com, anuj1986aei@gmail.com, 
anuj1986aei@gmail.com, npappa@rediffmail.com
npappa@rediffmail.com
Abstract: In this paper, the mathematical model of  a multicomponent crude distillation column is

Abstract: In this paper, the mathematical model of a multicomponent crude distillation column is
investigated
Abstract:
Abstract: In
In which
this
this aimed the
paper,
paper, at predicting
the mathematical
mathematical the concentration
model
model of
of a (mole fraction) of crude
multicomponent any component
distillation oncolumn
each tray is
investigated
Abstract:
of the column.
investigated In which
this
In
which
aimed the
paper,
literature,
aimed
at predicting
at it mathematical
is observed
predicting
the concentration
the that model
there
concentration ofa aadrastic
is
multicomponent
(mole
(mole
fraction) of crude
multicomponent
up and
fraction) down of crude
variations
any
distillation
any component
distillation
componentin the
oncolumn
on
each tray
column
steady
each state
tray
is
is
investigated
of the column.
investigated which
which aimed
In literature,
aimed at
at predicting
itpredicting
is observed the
the concentration
that there is a drastic
concentration (mole
(mole fraction)
up and down
fraction) of
of any component
variations
any componentin theonon each
steady
each tray
state
tray
composition
of
of the
the column. profile
In of various
literature, it ismulticomponent
observed that thereat each is aatray of the
drastic up column.
and down These variations
variations in thearesteady
due tostate the
the column.
composition
of
assumptioncolumn.
composition that
In
profile
profile
literature,
InVapor of various
literature,
of Liquid
various
it
it is observed
observed that
ismulticomponent
Equilibrium
multicomponent
there
that(VLE) at each
there
at each
is
is
ratios
drastic
atray of the
drastic
tray are
of
up
kept
the
and
up column.
and
column.
down
down
constant
variations
These
variations
throughout
These
in
variations the
theare
inthe
variations are
steady
due tostate
steady
traydue forto
the
state
any
the
composition
assumption
composition profile
that
profile Vapor of
of various
Liquidmulticomponent
Equilibrium (VLE) at
at each ratios tray
trayareof
of the
keptcolumn.
constant These variations
throughout thearetraydue forto
toanythe
component and
assumption
assumption that
that are
Vapor
Vapor notvarious
true inmulticomponent
Liquid
Liquid real time petroleum
Equilibrium
Equilibrium (VLE)
(VLE)
each ratios
ratiosindustries.
are
are
the
kept
kept
column.
Theconstant
constant
These
proposed variations
method
throughout
throughout the
the
are
showstray
tray
dueafor
proper
for
the
any
any
component
assumption and
that are
Vapor not true
Liquid in real
Equilibriumtime petroleum
(VLE) ratiosindustries.
are kept The proposed
constant method
throughout shows
the tray a proper
for any
procedure for
component
component and
and choosing
are
are not
not equilibrium
true
true in real constants
time by usingindustries.
petroleum an estimation The technique
proposed by reverse
method calculation
shows aa proper of
procedure
component
Thomas
procedure
forand choosing
algorithm.
for are Hence,
choosing truea in
notequilibriumin
equilibrium
real
reverse
time
realconstants
time petroleum
calculation
constants
by usingindustries.
petroleum
by is
using
an estimation
industries.
performed
an estimation
The
using
proposed
The technique
proposed
a Tridiagonal
technique
method
by reverse
method
by reverse
shows
shows
matrix a proper
calculation
method
calculationproper of
for
of
procedure
Thomas
procedure for choosing
algorithm.
for equilibrium
Hence, a reverse constants
calculation by using an
an estimation
is performed usingtechnique
a Tridiagonal by
by reverse
matrix calculation
method for of
estimating
Thomas
Thomas thechoosing
algorithm.
algorithm. VLEHence, equilibrium
values
Hence, afrom
a reverse
reverse
constants
the steady by
calculation
calculation
using
state is composition
is
estimation
performed
performed using
using
technique
profile for each
a Tridiagonal
a Tridiagonal reverse
component
matrix
matrix
calculation
mixture.
method
method
of
for
for
estimating
Thomas the
algorithm. VLE values
Hence, from
afrom
reverse the steady
calculation state composition
is composition
performed profile
using for
a Naphtha, each
Tridiagonal component
matrix mixture.
method for
Further,
estimating
estimating the composition
the VLE profile
values for various
the steady components,
state mainly Whole
profile for each Straight
componentRun Kerosene
mixture.
Further,
estimating thethe
the VLE
composition
VLE Oil values
profile
values from
from forthe
the steady
various
steady state
components,
state composition
mainly Whole
composition profile for
profileNaphtha, each component
eachStraight
forResidue component mixture.
Run Kerosene
mixture.
(SRK), Light
Further,
Further, the
the Diesel
composition
composition (LDO),
profile
profile Heavy
for
for various
variousDiesel Oil (HDO)
components,
components, and Atmospheric
mainly
mainly Whole
Whole Naphtha,
Naphtha, (AR)Run
Straight
Straight are Kerosene
Run estimated
Kerosene
(SRK),
Further, Light
the Diesel Oil (LDO),
composition profile Heavy
for variousDiesel Oil (HDO)mainly
components, and Atmospheric
Whole Residue
Naphtha, (AR)Run
Straight are Kerosene
estimated
and
(SRK),
(SRK), compared.
Light
Light This modified
Diesel Oil (LDO), algorithm
Heavy is a simple
Diesel Oil technique
(HDO) and for ideal and non-ideal
Atmospheric Residue systems
(AR) are with ease
estimated
and
(SRK),
of
and Light Diesel
compared.
implementing
compared. This a
Oil
Oil (LDO),
This modified
Diesel (LDO),
composition
modified
Heavy
algorithm
Heavy
profile
algorithm
Diesel
is a simple
Diesel
for
is a a
Oil
Oil (HDO) technique
(HDO)
multicomponent
simple technique
and
and forAtmospheric
mixture
for ideal and
and
Residue
ideal and non-ideal
Atmospheric Residue
reduction
non-ideal
(AR)
systems
(AR)
in
systems
are
are estimated
with ease
estimated
computational
with ease
and
of
and compared.
compared. This
implementing This modified
modified algorithm
a composition profile for
algorithm is
is aa aasimple technique
technique for
multicomponent
simple ideal
ideal and
mixture
for and non-ideal
and reduction systems
non-ideal with
with ease
in computational
systems ease
complexities.
of
of implementing
implementing a composition
aa composition profile
profile for
for multicomponent
aa multicomponent mixture
mixture and
and reduction
reduction in
in computational
computational
complexities.
of implementing composition profile for multicomponent mixture and reduction in computational
complexities.
© 2016, IFAC
Keywords:
complexities.
complexities.
Keywords: (International Federation
Multicomponent,
Multicomponent,
Vapor liquid
Vapor liquid of Automatic
equilibrium,
equilibrium, Control) Hosting
modeling,
modeling, by Elsevier
crude
crude
distillation
distillationLtd.column.
All rights reserved.
column.
Keywords:
Keywords: Multicomponent, Vapor liquid equilibrium, modeling, crude distillation column.
Keywords: Multicomponent,
Multicomponent, Vapor Vapor liquidliquid equilibrium,
equilibrium,  modeling,
modeling, crude crude distillation
distillation column.
column.

 simple, but are limited to ideal mixtures and allowable
1. INTRODUCTION  simple, but are limited to ideal mixtures and allowable
1. INTRODUCTION specifications.
simple,
simple, but
but are limited to ideal mixtures and allowable
1. INTRODUCTION
1.
Distillation is the1. INTRODUCTION
INTRODUCTION
process of separation of various simple, but are
specifications.
specifications. are limited
limited to to ideal
ideal mixtures
mixtures and and allowable
allowable
Distillation is the process of separation of various specifications. The Thomas algorithm uses forward elimination procedure
specifications.
hydrocarbons
Distillation
Distillation is
isintothe
theits component
process
process of
of parts or fractions
separation
separation of
of based
various
various on The Thomas algorithm uses forward elimination procedure
hydrocarbons
Distillation isinto theits component
process ofparts or fractions
separation of based
various on for The
The solving
Thomas
Thomas thealgorithm
linearizeduses set offorward
equations starting from
elimination stage1
procedure
the differences
hydrocarbons
hydrocarbons in
into
into their
its
its relative
component
component volatilities
parts
parts or
or or boiling
fractions
fractions points.
based
based on
on for solving
ThestageN.
Thomas thealgorithm
linearizeduses
algorithm set offorward
uses equations
forward elimination
starting from
elimination procedure
stage1
procedure
the differences
hydrocarbons in
into their
its relative
component volatilities
parts or
or fractionsboiling points.
based ona for to
for solving
solving In
the
the the proposed
linearized
linearized set
set method,
of
of equations
equations same popular
starting
starting from
from Thomas
stage1
stage1
The
the
the separation
differences
differences is
in
in done
their
their in
relative
relative a large column
volatilities
volatilities or
or that
boiling
boilingcontains
points.
points. to
for stageN.
solving In
the the proposed
linearized set method,
of equations same popular
starting from Thomas
stage1
The
the separation
differences is
in done
their in
relative a large column
volatilities or that
boilingcontains
points. a algorithm
to
to stageN.
stageN. using
In
In the
the the
proposed
proposed reversemethod,
method,calculation
same
same procedure
popular
popular Thomas
Thomas is
number
The
The of
separation
separation traysis
is where
done
done in
in hydrocarbon
a
a large
large column
column gases that
that and liquids
contains
contains a
a algorithm
to stageN. using
In the the
proposed reversemethod,calculation
same procedure
popular Thomas is
number
The of
separation trays where
is done hydrocarbon
in hydrocarbon
a the
large column gases and liquids implemented
algorithm to
using estimate
the the
reversevalues of VLE
calculation from the
procedure steadyis
interact.
number
number The
of
of liquid
trays
trays flow
where
where down hydrocarbon column andthat
gases
gases theandcontains
vapor
and goesa algorithm
liquids
liquids implemented
algorithm using
using the
to estimate
the reverse
the values
reverse calculation
of VLE from
calculation procedure
the steady
procedure is
is
interact.
number The
of liquid
trays flow
where down the column gases
hydrocarbon and theand vapor goes state
liquids composition
implemented
implemented to
to on
estimate
estimate each the
thetray of
values
values the
of
of column.
VLE
VLE from
from The
the
the models
steady
steady
up (Charles,
interact.
interact. The
The 1997).
liquid
liquid Crude
flow
flow down
downoil is mainly
the
the column
column a complex
and
and the
the mixture
vapor
vapor goes
goesof state composition
implemented to on
estimate each thetray of
values the
of column.
VLE from The
the models
steady
up (Charles,
interact. The 1997).
liquid Crudedown
flow oil isthe mainly
column a complex
and mixture
the vapor goesof applied to the distillation
state composition on eachcolumn
tray of reported
the in Jackson
column. The et al.
models
hundreds
up (Charles, of1997).
hydrocarbons,
Crude oil which
is mainly are fractionated
aa complex mixture in ofa state applied composition on
on each
to the distillation tray
column of the
of reportedcolumn. The
in Jackson models
et al.
up (Charles,
hundreds
up (Charles, of1997). Crude
hydrocarbons,
1997). Crude oil
oil is mainly
which
is mainly area complex
fractionated
complex mixture
mixture in ofa state
of was
applied
applied
composition
calculated
to
to the
the based
distillation
distillation
eachon tray
constant
column
column
the VLE
reported
reported
column.
in
in for The
Jackson
Jackson
models
individual
et
et al.
petroleum
hundreds
hundreds
petroleum of
refinery,
of into
hydrocarbons,
hydrocarbons,
refinery,
useful
into useful
crude
which
which
crudeare
areoil products,
fractionated
oil fractionated
products, mainly
mainly
in
in a
aa componentwas
applied calculated
to the
was calculated
calculated
based
in distillation
thebased
column.
based
on constant
oncolumn
The
VLE
reported
simulated
constant VLEin
for
Jackson
results
for et al.
individual
obtained
individual al.
hundreds
whole of
Naphtha, hydrocarbons,
Kerosene, which
dieselcrude are
and oil fractionated
different gas mainly in
oil by component was in thebased column. on constant VLE for individual
petroleum
petroleum
whole
refinery,
refinery,
Naphtha,
into
into
Kerosene,
useful
usefuldiesel crude
and oil products,
products,
different gas mainly
oil by was
from
componentcalculated
the composition
in the on The
profile
column. of
The
simulated
constant
mole VLE results
fractions
simulated results
obtained
foron individual
each tray
obtained
petroleum refinery, intoLightuseful crude oil products, themainly component in the
means
whole
whole
means
of fractionation.
Naphtha,
Naphtha,
of
Kerosene,
Kerosene,
fractionation. Lightdiesel
distillate
diesel and
and
distillate
products
different
different
products
are
gas
gas
are
oilmost
theoil
by
by
most
from
component
have
from
the composition
athe
drastic the column.
in variation
composition
profileThe
column.
(up and
profile The
of
simulated
of mole
downs)
mole
fractions
simulated
fractions
results
due toresults
constant
on
obtained
on each tray
obtained
each VLE,
tray
whole
means Naphtha,
profitable,
of hence Kerosene,
the
fractionation. design
Light diesel
of the and
distillate different
atmospheric
products gas
arecolumn
the oil by
mostis from
have athe composition
drastic variation profile
(up and of mole
downs) fractions
due to on
constanteach tray
VLE,
means of
profitable, fractionation.
hence the Light
design distillate
of the products
atmospheric are the
column mostis from
which
have atheis composition
not
drastic seen
variation profile
in(up any
and of mole
chemical
downs) fractions
due process
to on each tray
industries
constant VLE,
means
targeted of
profitable, fractionation.
towards
hence maximizing
the Light
design distillate
the
of products
production
the atmospheric of are
these the
column most
lighter is have
which a drastic
is not variation
seen in(up and
any downs)
chemical due to
processconstant VLE,
industries
profitable, hence the design of
the the atmospheric column is have a drastic variation (up and downs) due to constant VLE,
targeted
profitable, towards
hence maximizing
theproducts
design extracted
of production
the the atmospheric of thesecolumnlighter is (Bandyopadhyay,
which
which is
is not seen 2002in andany Bennett
chemicalet al.,process
2010). A smooth
industries
components.
targeted towards
targeted
components.
towards Major
Major
maximizing
maximizing
products the from the
production
production
extracted from of
the
column
of these
these
column
lighter
lighterare
are which
variation is innot
(Bandyopadhyay,
(Bandyopadhyay, not seen
seen2002in
composition
2002 inand any
profile
and
chemical
anyBennett
chemicalet al.,process
variation
Bennett et al.,
2010). A
process
of any
2010).
industries
smooth
industries
component
A smooth
targeted towards maximizing the production of these lighter (Bandyopadhyay, 2002 and Bennett et al., 2010). A
components.
Whole Naphtha
components. Major products
(130-150
Major products
o extracted
o C ),extracted
from
SRK (140-270/250
from the
the column
o
o C ), LDO
column are
are variation
(Bandyopadhyay,
mixture
variation is
in
in
composition
noticed 2002
compositionin
profile
and
various
profile
variation
Bennett et al.,
industries.
variation
of
This
of
any
2010).
is
any A smooth
component
smooth
achieved
component by
components.
Whole Naphtha Major products extracted
(130-150 o C ), SRK (140-270/250 from the column
o C ), LDO are variation
mixture isin composition
noticed in variousprofile variation
industries. of
This any component
is achieved by
Whole Naphtha o (130-150 o C ), SRK (140-270/250
oC
o o C ), LDO
o C ), LDO
variation
different
mixture isin
VLE composition
values
noticed in on profile
an
various variation
individual
industries. tray of
Thisof any
the
is component
column
achieved for
by
Whole Naphtha
(250/270-320 o C(130-150
), HDO ),
(320-380SRK o C ) and AR/Reduced
(140-270/250 mixture is noticed in various industries. This is achieved by
Whole Naphtha (130-150 C ), SRK
(250/270-320 oo C ), HDO (320-380 oo C ) and AR/Reduced any(140-270/250 C ), LDO different
mixture
different
VLE
isVLE
mixture.
values
noticed
This
values in on an
various
method
on
individual
industries.
an estimates
individual
tray
the This
tray
of the column
is achieved
variability
of the
the in VLE
column
for
by
for
crude oil
(250/270-320
(250/270-320 (AbdullahC ), et
HDOal., 2007
(320-380and
o C ), HDO (320-380 o C ) and AR/Reduced C
Rosendo,) and 2003).AR/Reduced different
any mixture.
different VLE
VLE values
This
values on
method
on an
an individual
estimates
individual tray
the
tray of
variability
of the column
in
column for
VLE
for
crude oil (Abdullah
(250/270-320 C ), etHDO
al., 2007 (320-380and Rosendo,
C ) and 2003).AR/Reduced values
any on
mixture. each tray
This from
method the steady
estimates state
the composition
variability inprofile
VLE
crude oil (Abdullah et al., 2007 and Rosendo, 2003).
crude
crude oil
VLE (Abdullah
parameters
oil (Abdullah are et
et al., 2007
2007 and
al.,important and Rosendo, 2003).
in the optimization
Rosendo, 2003). of any values
any mixture.
on eachThis
mixture. tray method
This from theestimates
method steady state
estimates the variability
the composition
variability in VLE
inprofile
VLE
VLE parameters are important in the optimization of of each
values
values
of eachon
values
on
oncomponent
each
each
component
each
tray
tray
tray
of
from
from
of
from
crude
the
the
crude
the
and is capable
steady
steady
and
state
state
is capable
steady state
of estimating
composition
composition
of estimating
composition
the
profile
profile
the
profile
thermodynamic
VLE
VLE parameters
parameters cycle.
are
are In a
important
important gas-liquid
in
in the
the system,
optimization
optimizationthe mainof
of concentration
of each componentof any ofcomponent
crude and of
is interest
capable of
of the mixture
estimating on
the
thermodynamic
VLE parameters cycle.
are In a gas-liquid
important in thedata system,
optimizationthe main of of each
concentration
of each component
componentof anyof of crude
component
crude and
and is
of
is capable
interest
capable of
of
of estimating
the mixture the
estimating on
the
parameters
thermodynamic
thermodynamic include pure
cycle.
cycle. vapour
In
In a
a pressure
gas-liquid
gas-liquid system,
system, and VLE
the
the data
main
main the trays
concentration of the
of column.
any The
component developed
of interest model
of the predicts
mixture the
on
parameters
thermodynamic include pure In
cycle. vapour pressure data
a gas-liquid system, and VLE the data concentration
main the trays of the
concentration of
of any
column.
any component of
The developed
component of interest
interest of
model
of the
the mixture
predicts
mixture on
the
on
for mixtures.
parameters
parameters Modeling
include
include pure
pure a crude
vapour
vapour distillation
pressure
pressure data
datacolumn
and
and with
VLE
VLE side
data
data composition
the trays of of
the five components
column. The at each
developed tray of
model the column.
predicts the
for mixtures.
parameters Modeling
include pure avapour
crude distillation
pressure datacolumn
and with data
VLE side the trays
composition
the trays of
of the
of
the column.
five components
column. The
The developed
at each
developed traymodel
of
model the predicts
column.
predicts the
the
stripper
for is
mixtures. difficult
Modeling process,a since
crude the parameters
distillation column are based
with on
side
for
for mixtures.
stripper Modeling
is difficult
mixtures. Modeling process,aa crudesincedistillation
crude the parameters
distillation column are with
basedside on compositioncomposition
composition of
of five
of five
components
components at
at each tray
at each
each tray
tray of
of the
of the
column.
the column.
VLE constants
stripper
stripper is
is as the
difficult
difficult composition
process,
process, since
since profile
the
the ofcolumn
parameters
parameters eachareare
with
component
based
based
side
on
on
2. MODEL
five
2. components
MODEL
DESCRIPTION
DESCRIPTION column.
VLE constants
stripper iswith as
difficult the composition
process, since profile
the of
parameters each component
are based on 2. MODEL DESCRIPTION
changes
VLE constants variation
as the in
composition the VLE.
profile Due of to
each the strongly
component 2. MODEL DESCRIPTION
VLE
changes
VLE constants as
as the
with variation
constants the composition
in the VLE.
composition profile
profile Due of
of each
to the
each strongly A
component
component
mathematical model 2. MODEL of a distillation
DESCRIPTION column is useful in all
interacting
changes
changes with
with nonlinear
variation
variation algebraic
in
in the
the VLE.
VLE.equations,
Due
Due to
to the
the
the solution A
strongly
strongly A
mathematical model
phases of research
mathematical model andof
of a distillation
ofinaa development
distillation
column is useful in all
to plant
column operations,
is useful
useful in all
all
interacting
changes with nonlinear
variation algebraic
in the VLE.equations,
Due to the
the solution
strongly A mathematical
phases of research model and in distillation
development column
to plant is in
operations,
procedures
interacting
interacting are difficult
nonlinear
nonlinear and
algebraic
algebraictedious. In literature
equations,
equations, the
the
the Bubble-
solution
solution A
andmathematical
phasesalso of in economic
research model and of a
studies.
in distillation
The design
development column
of
to multi
plantis useful in all
component
operations,
procedures
interacting are difficult
nonlinear and
algebraictedious. In literature the Bubble- phases of research and in development to plant operations,
Point (BP)are
procedures and Sum-Rates
difficult and (SR) equations,
tedious. methods
In literature the
are solution and
therelatively
Bubble- phasesalsoofinresearch
separation
economicand studies.
requires studies.
The design to
in development
the determination
of plant
multi component
operations,
of component
pressures,
procedures
Point (BP)are
procedures
Point (BP) areand
and
difficult
Sum-Rates
difficult
Sum-Rates
and
and tedious. (SR) In
tedious.
(SR) In literature
methods
literature
methods
arethe
are Bubble- and
Bubble-
therelatively
relatively and also
also
separation
and also
in
in
in
economic
economic
requires studies.
economic
The
The design
design
the determination
studies. The design
of
of
of
multi
multi
of component
multi pressures,
component
Point (BP) and Sum-Rates (SR) methods
Point (BP) and Sum-Rates (SR) methods are relatively separation are relatively separation requires the determination of pressures,
separation requires requires the the determination
determination of of pressures,
pressures,
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temperatures, stream compositions, stream flow rates, and flow L and vapor molar flow V are coming from the stage j
heat-transfer rates at each stage by solving energy-balance, from a VLE. The feed stream F is in the 43rd tray and vapor
material-balance, and equilibrium for each stage. (SV) side stream are planned at the top tray for Whole
Unfortunately, these equations are strongly interacting non- Naphtha, 12th tray for SRK, 25th tray for LDO, 35th tray for
linear algebraic equations. So, solution procedure becomes HDO and 48th tray for AR. Normally, for obtaining the model
difficult. till now the value of vapor liquid equilibrium ratio is
A proper model is necessary in sizing and arrangement of considered to be constant.
processing equipment for performance analysis. Although
Fig. 1, represents vapor liquid equilibrium case where the
various methods are available for solving multi component
trays are numbered from top to bottom. Feed of molar
separation problems, approximate methods are generally used
component is entering stage j with a flow rate Fj, with
for design to establish optimal design conditions. Also,
composition zi,j in mole fractions of component i and molar
process synthesis is studied to determine optimal separation
enthalpy hFj.
sequences with initial approximations for rigorous, iterative
methods. The mathematical model describing the separation 2.1 Assumptions
process like distillation consists of four sets of basic
equations, called mesh equations which are Mass balance  To obtain the model reported in Jackson et al., a 48
equation, Equilibrium relations, Sum (or conservation) tray column model is chosen.
equation and Enthalpy balance relations.  The residence time on each plate is such that
Vj Liquid from
stage above equilibrium is attained between the liquid and the
Vapor side Lj-1 vapour. Hence Yn = Kn * Xn
stream
Wj  The flow rate of the side streams is equal to the flow
rate of the reflux which is assumed from Seader,
xi, j-1
yi, j J.,(2011)
hL j-1
hV j  From the example 10.1, sighted in Seader, J.,(2011)
the reflex ratio is considered to be 2.
Head
L  The flow rate of the vapour throughout the column
Valve is considered to be the summation of the three side
Feed F Heat Transfer streams and reflux of the three side streams. i.e.,
Fj Stage j Vj =W12+ W25+ W35+reflex ratio*( W12+ W25+ W35).
zi, j qj
hF, j
 The liquid flow rate is also considered to be constant
throughout the column.
xi, j
 The mass balance doesn’t match for the inflow rates
hL j and out flow rates reported in Jackson et al,. Hence
Valve
V by considering only the feed flow rate and the feed
compositions new values of side streams are
yi, j+1 calculated and liquid flow rate are calculated.
h V j+1  With reference to Jackson et al., only vapour side
Liquid side streams are present. The liquid side stream flow rate
stream is zero.
Uj
Vj+1 2.2 Process variables

Generally, for obtaining the model reported in Jackson et al.,

Lj
Fig. 1. General Equilibrium stage
where,
F is Feed flow rate.
Zi, is Composition of feed
Lj is Liquid flow throughout the column
Vj is Vapor flow throughout the column
xj is Mole fraction of Liquid in the column
yj is Mole fraction of vapor in the column
hvj is Enthalpy of vapor in the column
hLj is Enthalpy of Liquid in the column
Wj is Side stream flow rates of the vapor
Uj is Side stream flow rates of the liquid
qj is heat transfer
The mathematical model proposed in this paper has 48 trays
numbered from top to bottom, including the condenser
numbered 1 and a re-boiler numbered as 48. The liquid molar
the values of VLE ratios are assumed to be constant for each
component of the tray column. But, the values of VLE will
change tray by tray for every component mixtures in the
column. Hence, in this work, an algorithm is implemented to
determine/estimate the VLE ratios at each tray using reverse
calculation in Tridiagonal method developed by Thomas
algorithm. Using this new proposed algorithm the sudden rise
and fall in composition profile is minimized.
Similarly, in stage j the liquid from the above stage Lj-1 is also
entering from the top tray with the composition xi,j-1, in mole
fractions and similarly from stage j+1, the vapor Vj+1 is also
entering from the bottom of the tray with the composition
yi,j+1, in mole fractions. Leaving stage j is the vapor Vj and
liquid Lj with mole fraction compositions yi,j and xi,j
respectively. This stream can be divided into a vapor side
stream of molar flow rate Wj and an interstage stream of

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molar flow rate Vj to be sent to stage j - 1 or, if j = 1, to leave As sighted in Seader, J.,(2011), the overall material balance
as a product. The flowrates of various parameters and equation is given in Eq. 6.
variables withdrawn from the column trays considered are Vj + Fj-1 + F1 + F2 = L j-1 + U j-1 + Wj-1 + U 2 + W2
summarized in Table 1. (6)
+ U1 + W1 + V1
Table 1. Flow rates
L j-1 = U j-1 + Wj-1 + U 2 + W2 + U1 + W1 + V1 - Vj
(7)
Variables Values Trays (j) - Fj-1 - F1 - F2
F43 = 993.7 (m3/hr) 43
Feed flow rates j = 1,2,3,… L j-1 is represented in general form as shown in Eq. 8.
Fj = 0 (m3/hr)
….42,44,45…48
L j-1 = Vj + Fj-1 + F1 + F2 - U j-1 - Wj-1 - U 2 - W2 - U1
Overhead j = 1,2,3… (8)
Vj = 1275.9 (m3/hr)
Flow rate ….42,44,45…48 - W1 - V1
Bottom Flow j = 1,2,3,…
Lj = 310.03 (m3/hr) j-1
Rate ….42,44,45…48 L j-1 = Vj + (Fm -Wm -U m )-V1 (9)
Vapor Side j = 1,2,3,…11,13,…
Wj = 0 (m3/hr) m=1
Stream & ..24,26,….34,36...48 Similarly, Eq. 9 can be expressed for Lj as,
reflex flow W12 = 138.1(m3/hr) 12 j
rate(assumed W25 = 240.5(m3/hr) 25 L j = Vj+1 + (Fm -Wm -U m )-V1 (10)
to be same) W35 = 46.7(m3/hr) 35 m=1
Liquid Side Substituting the expression from Eq. 9 and Eq. 10 in Eq. 1,
Uj = 0 (m3/hr) j = 1,2,3,………48
Stream we get,
zi,j = 0
 j-1

z1,43 = 0.260
i = 1,2,…5;  j  (Fm -Wm -U m )-V1  x i,j-1
V +
Feed z2,43 = 0.139  m=1 
j=
Composition z3,43 = 0.242 Aj
1,……42,44,….48
z4,43 = 0.047
 j

z5,43 = 0.312 -  Vj+1 + (Fm -Wm -U m )-V1 +U j +(Vj +Wj )K ij  x i,j (11)
The MESH equations for stage j is given from Eq. 1 to Eq. 5,  m=1 
The material balance: Bj
M ij = L j-1x i,j-1 + Vj+1Yi,j+1 + Fjz i,j - (L j +U j ) x i,j
(1) + Vj+1K i,j+1 x i,j+1 + Fjzi,j = 0
- (Vj +Wj ) yi,j = 0 Cj Dj
The equilibrium relationship for each stage is given as,
A j xi,j-1 +B jxi,j +C jxi,j+1 = D j (12)
Eij = yij - Kij xij =0 (2)
 j-1

where, Kij is the Vapor Liquid Equilibrium (VLE) ratio. A j =  Vj + (Fm -Wm -U m )-V1  ; 2  j  48 (13)
The summation equations are defined by,  m=1 
n  j

(Sy ) j = yi,j -1 = 0 (3)  j+1  (Fm -Wm -U m )-V1 
V +
i 1 Bj= -  m 1
 ; 1  j  48 (14)
n
 +U j +(Vj +Wj )K ij 
(Sx ) j =  x i,j -1 = 0 (4)
i 1 C j = Vj+1Ki,j+1 ; 1  j  47 (15)
The energy balance equation is given as,
Dj = - Fz ; 1  j  47 (16)
H j = L j-1h L F-1 + Vj+1h V j+1 + Fjh Fj - (L j +U j ) h L j - j i,j

(5) Eq. 13 to Eq. 16 can be summarized in the form of matrix as

(Vj +Wj ) h Vj - q j = 0 shown in Eq. 17,
 B1 C1 0 0 0   x i,1   D1 
Normally, Kij is a function of temperature (T ij), pressure (Pij),  
A
 2 B2 C2 0 0   x i,2   D 2 
vapor flow (Vj) and liquid flow (Lj) of ith component and jth 0 A3 B3 C3 0 0   x i,3   D3  (17)
stage in the column.      
     
     
3. ITERATION PROCEDURE IN THOMAS ALGORITHM  ×  
 0     
In general many procedures are reported in the literature for  0 0     
solving this nonlinear set of equations using iterative      
 0 A N-2 B N-2 C N-2 0   x i,N-2   D N-2 
  
procedures. These procedures use equation partitioning with 0 0 A N-1 B N-1 C N-1   x i,N-1  D 
   N-1 
linearization by Newton-Rapson procedure. In the olden days  0 0 0 0 AN B N   x i,N   D N 
these set of MESH equations were solved for one feed and 2
First row from Eq. 17 is written as,
products (Seader J.,(2011)).

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Xi,1 =(D1 -C1xi,2 )/B1 (18) term. Here, j represents the corresponding tray
number of each component.
For simplification the Eq. 18 is rewritten in the form as, Step 4: VLE values are then estimated from Step 3 of
xi,1 = (Q1 -P1xi,2 ) (19) individual trays upto feed tray.
where, Step 5: The remaining coefficients in P matrix are
calculated based on the previous values of Qj-1 and
P1 =C1 /B1 (20) composition x.
Q1 =D1 /B1 (21) Step 6: With the determined values in Step 5, the values of
Q matrix is calculated recursively from feed tray
Similarly, second row of matrix in Eq. 17 is expressed as in
to the Nth tray.
Eq. 22,
Step 7: Now with P and Q matrices, the remaining values
D 2 -A 2 Q1  C2  of VLE (from Feed tray to Nth tray) are estimated
x i,2 = - -  x i,3 (22) precisely.
B2 -A 2 P1  B2 -A 2 P1 
From the matrix in Eq. 25, it is clear that the values of Q are
where, zero upto the feed tray. The remaining coefficients of Q
 D -A Q  varies from the feed tray that depends on Aj, Bj, Dj and the
Q2 =  2 2 1  (23) previous values of Qj-1 and Pj-1. Likewise, the values of P are
 B2 -A 2 P1  obtained until the feed tray as given in Eq. 29,
 C2   xj 
Pj = -  ; 1  j  42 (29)
P2 =   (24)
 x j+1 
 B2 -A 2 P1   
Similarly, the remaining rows in the matrix shown in Eq. 17 It is assumed that the vapor is entirely refluxed in the top tray
are modified as in Eq.25, of the column. So, B1 can be expressed as in Eq. 30.
 x i,1   Q1 
1 0 
x i,2   Q 2 
P1 ... ... ... ... ... ... 0 B1 = -V1 (30)
0 1 P2 ... ... ... ... ... .. 0    
  x i,3   Q3  From Eq. 20, C1 is calculated as given below,
0 0 1 P3 0 0 ... ... ... 0      (25)
  C1 = B1P1
: ... :      (31)
 :   :  nd
: ... :      From Eq. 15, we determine the values of VLE for the 2 tray
 ×   
: .... 0   as,
:   : 
:     

.... 0
    
K 2 =-C2 /V2 (32)
: 0 1 PN-2 0  
0  x i,N-2   Q N-2  From this the values of Aj, Bj, Cj and Dj are calculated till the
0 1 PN-1    
   x i,N-1   Q N-1  Feed tray.
 0 0 ... ... ... ... 0 0 0 1      j
 x i,N   Q N 
Hence, in general the expression for computing P j and Qj are B j =-[Vj+1 + (Fm -Wm -U m )-V1 +U j
m=1 (33)
given in Eq. 26 and Eq. 27 respectively.
 Cj  +(Vj -Wj)K i,j ] ; 1  j  43
Pj = 
 B j -A jPj-1 
(26) From the predetermined values of Bj and Pj, the remaining
  VLE constants are estimated as,
 D j -A jQ j-1  K j+1 =Pj (Bj -A jPj-1 )/Vj ; 1  j  42 (34)
Qj= 
 B j -A jPj-1 
(27) By using the values obtained in Eq. 34, the Cj are obtained
  for first tray upto the tray above the feed as in Eq. 35,
xi,j =Q j - (Pjxi,j+1 ) (28) C j =VjK j+1 ; 1  j  42 (35)

4. PROPOSED METHOD USING REVERSE After the feed tray the values of P depends upon the previous
CALCULATION PROCEDURE IN THOMAS values of Q as given in Eq. 36,
ALGORITHM Pj = (Q j -x j )/x j+1 ; 43  j  47 (36)
Steps involved in the proposed algorithm for estimation of Q j = (D j -A jQ j-1 )/(B j -A jPj-1 ) ; 43  j  48 (37)
VLE constants using Reverse calculation of popular Thomas j
algorithm is described below: B j = -[Vj+1 + (Fm -Wm -U m )-V1 + U j
Step 1: Obtain the steady state composition of each m=1 (38)
component.
Step 2: From the steady state find the values of P matrix + (Vj -Wj )K i,j ] ; 44  j  48
until feed tray, which depends only on the VLE constants are precisely calculated as given in Eq.39 for
compositions. the trays below the feed by incorporating all the previous
Step 3: From matrix P obtained in Step 2, the values of Aj, values of Pj, Qj and Bj obtained in Eq, 36, Eq. 37 and Eq. 38
Bj, Cj and Dj matrices are calculated upto the feed respectively.

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K j+1 = Pj (Bj -A jPj-1 )/Vj ; 43  j  47 (39)

5. RESULT AND DISCUSSION
The composition profile in mole fractions of the five
components mainly, Whole Naphtha, SRK, LDO, HDO and
AR for each tray of the crude distillation unit (CDU) are
shown in Fig. 3, Fig. 4, Fig. 5, Fig. 6 and Fig. 7 respectively.

Fig. 6. Composition of HDO on each Tray

Fig. 3. Composition of Whole Naphta on each Tray

A comparative responses of proposed algorithm to that
reported in Jackson et al. are carried out and is observed that
the proposed method gives better and smooth steady state
profile with any component of interest to be withdrawn at the
tray where its concentration is highest. Therefore from the
model results, the five components of interest are withdrawn Fig. 7. Composition of Atmospheric Residue on each Tray
on trays 1, 12, 25, 35 and 48 respectively. The simulated
results are obtained at a pressure condition of 100 psia. Table 2, shows the VLE ratios reported in Jackson et al,
where the values are considered to be constant throughout the
tray for each component.

Table 2: VLE values considered by Jackson et al.

Composition
Components VLE
on trays.
1-48 Whole Naphtha 1.40
1-48 Straight Run Kerosene (SRK) 0.44
1-48 Light Diesel Oil (LDO 0.39
1-48 Heavy Diesel Oil (HDO) 0.39

Fig. 4. Composition of SRK on each Tray 1-48 Atmospheric Residue (AR) 0.13

Fig. 8. Variation of VLE in each trays of the column by

proposed algorithm
Fig. 5. Composition of LDO on each Tray

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Table 3: VLE values estimated by proposed method The variability of VLE ratio in each tray of the column
Tray VLE estimated by reverse calculation procedure is shown in Fig. 8.
No. Naphtha SRK LDO HDO AR It is observed that the VLE values are not constants for a
1 0.00 0.00 0.00 0.00 0.00 component in each trays and at the feed tray, the values are
maximum for five components of the crude distillation
2 1.60 0.73 0.98 0.99 0.98
column and a precise values of VLE on individual trays are
3 1.01 0.69 0.43 0.99 0.97
obtained.
4 1.01 0.85 0.75 0.98 0.99
5 1.01 0.80 0.82 0.21 0.99 Table 4: Comparison of composition values for each
6 1.01 0.72 0.77 0.75 0.97 component
7 1.01 0.79 0.75 0.85 0.99 Composition
Sl. Tray of
8 1.01 0.90 0.79 0.93 0.98 Component Jackson Proposed
No. Withdrawal
9 1.03 0.85 0.91 0.91 0.94 et al. Algorithm
10 1.02 0.51 0.30 0.97 0.93 1 Naphtha 1 0.1750 0.2611
11 1.03 0.80 0.66 0.95 0.75 2 SRK 12 0.1690 0.1742
12 0.97 0.66 0.39 0.94 0.04 3 LDO 25 0.2560 0.2783
13 1.15 1.00 1.16 0.93 12.38 4 HDO 35 0.0570 0.0572
14 1.09 1.05 0.82 0.90 0.67
5 AR 48 0.2530 0.2621
15 1.05 1.01 0.89 0.91 0.79
16 1.05 1.01 0.90 0.90 0.76
Table 4, shows a comparative study of composition for five
17 1.10 1.03 0.91 0.91 0.81 components mainly, Whole Naphtha, SRK, LDO, HDO and
18 1.06 1.07 0.91 0.89 0.72 AR withdrawn on trays 1, 12, 25, 35 and 48 respectively. It
19 1.08 1.08 0.90 0.91 0.11 is observed that with variation in VLE parameters, more
20 1.06 1.09 0.87 0.90 0.81 precised values are obtained using proposed algorithm.
21 1.08 1.11 0.70 0.86 0.83
6. CONCLUSIONS
22 1.08 1.04 0.85 0.86 0.77
23 1.11 1.08 0.87 0.75 0.78 This work summarizes a new algorithm to develop a model
24 1.12 1.06 0.86 0.80 0.79 for multicomponent distillation column process. An
25 1.02 0.97 0.70 0.88 0.69 appropriate composition profile for various mixtures mainly,
Naphtha, SRK, LDO, HDO and AR were estimated by
26 1.25 1.10 1.02 0.87 0.78
obtaining the VLE values from the MESH equations by using
27 1.27 1.13 1.12 0.85 0.77
reverse calculation of Thomas algorithm for each tray of the
28 1.27 1.11 1.22 0.85 0.78 distillation column. A comparative study is carried out for
29 1.27 1.33 1.31 0.85 0.75 the steady state composition profile of the crude distillation
30 1.35 1.44 1.63 0.83 0.73 column with the results reported in Jackson et al.
31 1.36 1.65 1.43 0.83 0.75
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32 1.41 1.96 1.76 0.82 0.75
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