Computers and Chemical Engineering 26 (2002) 1369– 1377

www.elsevier.com/locate/compchemeng

Two different approaches for RDC modelling when simulating a

solvent deasphalting plant
Joaquim J.C. Aparı́cio a, Manuel A.S. Jerónimo b, Fernando G. Martins a,
Manuel A.N. Coelho a,*, Carlos Martins c, Artur S. Braga c, Carlos A.V. Costa a
a
Departamento de Engenharia Quimica, LEPÆ, Faculdade de Engenharia da Uni6ersidade do Porto, Porto, Portugal
b
Uni6ersidade Lusı́ada, Famalicão, Portugal
c
Petrogal, SA, Matosinhos, Portugal

Received 8 May 2001; received in revised form 25 March 2002; accepted 15 April 2002

Abstract

Due to the complexity of hydrodynamics and mass transfer phenomena involved in rotating disk contactors, plus the lack of
accurate information of crude oil composition, simulation of a propane deasphalting plant in a common process simulator can
be a very difficult task. Two different approaches are presented in this work, aiming the development of a reliable simulation
model for propane deasphalting rotating disc contactor in a chemical process simulator. The first approach consists in the
development of a black box-type model, based on feedforward artificial neural networks (FANN) to predict the RDC
performance. The second one involves a recharacterisation of vacuum residue feed and a simulation of the RDC with the process
simulator algorithms. Comparing the results for both approaches with real operating data, a maximum relative error of 9% was
found in the FANN predictions and a maximum relative error of 4.5% was found in the second approach, showing that both have
good predictive performances. For this particular case and concerning the objectives of this research, the KUOP methodology,
based on fundamental chemistry, is more suitable than FANN approach because it can be applied in a wider range of operating
conditions of the extraction unit. However, in similar extraction problems with a wider range of process variables as training data
set, the FANN could be an alternative methodology due to its simplicity and easy use in simulation processes. © 2002 Elsevier
Science Ltd. All rights reserved.

Keywords: Feedforward artificial neural networks; Solvent deasphalting; Rotating disk contactor; Modelling; Simulation; Characterization factor

Nomenclature

FANN feedforward artificial neural network

AR asphaltic residue
DAO deasphalted oil
dDAO deasphalted oil density (g/cm3)
dAR asphaltic residue density (g/cm3)
dVR vacuum residue density (g/cm3)
d *Oil pure pseudo-component oil density (g/cm3)
d *Asphalt pure pseudo-component Asphalt density (g/cm3)
FDAO deasphalted oil flowrate (m3/h)
FAR asphaltic residue flowrate (m3/h)

* Corresponding author
E-mail address: mcoelho@fe.up.pt (M.A.N. Coelho).

0098-1354/02/$ - see front matter © 2002 Elsevier Science Ltd. All rights reserved.
PII: S 0 0 9 8 - 1 3 5 4 ( 0 2 ) 0 0 1 1 4 - X
1370 J.J.C. Aparı́cio et al. / Computers and Chemical Engineering 26 (2002) 1369–1377
FVR vacuum residue flowrate (m3/h)
F AR
Asphalt pseudo-component asphalt in AR stream flowrate (m3/h)
F AR
Oil pseudo-component oil in AR stream flowrate (m3/h)
F DAO
Asphalt pseudo-component asphalt in DAO stream flowrate of (m3/h)
F DAO
Oil pseudo-component oil in DAO stream flowrate (m3/h)
HX heat exchanger
KUOP Watson characterisation factor
Liq. FR component volumetric flowrate (m3/h)
NBP normal boiling point (°C)
VR vacuum residue
1. Introduction
Despite growing demands on product quality, safety
and environmental regulations, modern industries need
to continuously increase plant-operating profitability.
Chemical process simulators have an important role
in these difficult tasks, and are nowadays widely used in
chemical industries from process design to process con-
trol and optimisation. This work is inserted in a more
general research project, concerned with modelling,
simulation and optimisation of the processual units of
Petrogal Oporto refinery base oil plant, using the Sim-
Sci commercial sequential modular simulator PRO/II
with Provision, as computational tool.
After crude oil atmospheric distillation, the atmo-
spheric residue is distilled under vacuum, producing a
number of distillate cuts and a vacuum residue. Pro-
pane deasphalting is one of the most popular separa-
tion processes used in lube oil refining to remove high
molecular weight asphalt components and metals from
vacuum residue. In this process, a mixture of propane
and small amounts of light hydrocarbons is used as
solvent, selectively dissolving the more saturated mate-
rials and rejecting into a second liquid phase aromatics
and heavy molecular weight components.
Many types of devices have been used over the years
in solvent extraction processes, but the Rotating Disk
Contactor (RDC) is the most widely adopted since it
was developed by the Royal Dutch/Shell Group in the
middle of the last century. Comparisons with other
conventional contactor devices have been made
(Marple, Train & Foster, 1961), showing that RDCs
are more efficient, and provide increased yields over the
others.
Correlations for describing the hydrodynamics and
mass transfer rates in RDC columns have been pro-
posed (Laddha, Degaleesan & Kannapan, 1978; Zhang,
Ni & Su, 1981) as well as the most important column
parameters that affect their performance (Vermijs &
Kramers, 1954; Strand, Qlney & Ackerman, 1962),
however, the extraction process in RDC columns is so
complex, that it is nearly impossible to be predicted
with sufficient accuracy.
In addition, when trying to simulate the deasphalting
process in a process simulator, another difficulty comes
up: the lack of precise information on crude oil compo-
sition concerning liquid–liquid extraction.
Although determination of chemical composition of
crude oil, and particularly the characterisation of
petroleum heavy distillates, using HPLC and spectro-
scopic methods have been reported (Sarowha, Sharma,
Sharma & Bhagat, 1997), the composition in terms of
pure components is far from being well known.
The most widely used characterisation method of
petroleum fractions is based on assay data, where each
pseudo-component represents a narrow boiling point
fraction of a distillation curve. In fact, the internal
software packages of liquid–liquid extraction in process
simulators are unable to predict accurately the extrac-
tion, when the composition of the feedstock is based on
assay pseudo-components.
Two different approaches are reported on this work
to overcome these problems.
The first approach is based on neural network
methodologies. Inspired by the biological neural sys-
tem, an artificial neural network consists of a set of
highly interconnected units, able to learn and be trained
to find solutions, simulate or optimise a wide variety of
problems including process modelling and control (Un-
gar, Hartman, Keeler & Martin, 1996; Martins &
Coelho, 2000). One of the major features of artificial
neural networks is their adaptive nature, where the
learning by example method replaces the traditional
programming. This feature makes such computational
tool very attractive in complex engineering applications,
where theoretical modelling based software is insuffi-
cient, but where training data is readily available. The
applicability of this tool in oil refining industry, and
particularly in solvent extraction problems has been
recently shown (Riddle, Bhat & Hopper, 1998; Martins
et al., 2001).
The second approach relies on the fact that composi-
tion of crude oil is very complex and assay pseudo-
components can be separated into typical paraffinic,
naphthenic and aromatic ‘components’ based on the
KUOP characterisation factor (Wuithier, 1972).
 J.J.C. Aparı́cio et al. / Computers and Chemical Engineering 26 (2002) 1369–1377
The characterisation in terms of assay data is well
fitted when intended to simulate fractionation opera-
tions such as distillation, based on boiling temperature
differences of the components. However, it becomes
very unsuitable in the simulation of processes such as
liquid–liquid extraction, where, the separation process
relies mainly on the solvent interactions with the differ-
ent chemical structure of the compounds involved.
In this particular case of deasphalting, propane ex-
hibits a selective solvent action with different crude
fractions. Although among components of the same
chemical family the separation is made based on the
molecular weight differences, there is a preferential
solubility for the paraffinic compounds over the aro-
matics. It is necessary to re-characterise the unit feed,
by separating assay pseudo-components in their
paraffinic, naphthenic and aromatic ‘components’.
With this new characterisation of the feedstock, it is
possible to develop a simulation model in the process
simulator.
The objective of the work reported in this paper is
then centred in solving the problem of using a modular
process simulator in plants processing complex mix-
tures represented by ‘distillation’ pseudo-components,
in liquid –liquid extraction units. Particularly, two mod-
els are presented:
– one, using an artificial neural network for the extrac-
tion unit, that is inserted in the simulator;
– another, using a transformation of the extraction
unit feed composition, initially given by a set of
‘distillation’ based pseudo-components into another
Fig. 1. RDC column and detail of a RDC compartment.
Fig. 2. Schematic representation of a solvent deasphalting process.
1371
set based on the KUOP concept, then extraction unit
is simulated with simulator resident models;
as well as their validation and comparison using as case
study the deasphalting section of a base oil plant and
real process data.
2. The RDC column
Optimisation of the solvent extraction process is
strongly dependent on the simulation results of the
device where the extraction takes place, the Rotating
Disk Contactor (RDC).
The RDC consists of a tall cylindrical column in
which horizontal flat rings with a central opening (sta-
tor rings) are installed. A central shaft positioned in the
axis of the column, carries a number of equally spaced
rotor disks, placed in the middle of the compartments
formed by the stator rings (Fig. 1). A variable speed
gear motor drives the shaft.
The extraction is obtained introducing the light liq-
uid phase at the column bottom and the heavy phase at
the column top.
Above the heavy phase inlet, the counterflow is
achieved by the temperature gradient established by the
steam coil installed at the column top.
The agitation obtained by the rotating disks origi-
nates three distinct kinds of liquid motion in the
column (Reman & Olney, 1955). An axial flow of the
two liquid phases promoted by the difference in densi-
ties, a radial flow due to the centrifugal field near the
rotor axis and a centripetal flow. The combination of
these motions results in a toroidal vortice in each
compartment.
The dispersion required for a high mass transfer rate
is governed mainly by the rotor speed, which also
controls the size of dispersed drops.
Several research works (Vermijs & Kramers, 1954;
Strand et al., 1962) aiming to define RDC capacity and
efficiency, based on physical properties and geometry
have been carried out, however, due to the complexity
of the extraction process, the RDC performance is not
yet well predictable.
3. Neural network model
The first step in the determination of the feedforward
artificial neural network (FANN) structure was to find
the adequate input and output variables that properly
specify the simulation problem. The most important
operating variables in the solvent deasphalting process
are Deasphalted Oil (DAO) yield and density, solvent
and feed flow rate and temperature, RDC top tempera-
ture and rotor velocity (Fig. 2). Process or laboratory
data for all these variables must be available in the
refinery in order to train the FANN.
1372 J.J.C. Aparı́cio et al. / Computers and Chemical Engineering 26 (2002) 1369–1377

A three layer neural network was created to simulate

the RDC column. A six node input layer, a four node
hidden layer and a four node output layer.
The determination of weights and bias in the training
phase is a non-linear optimisation task using the sim-
plex method developed by Nelder and Mead (Press,
Flannery, Teukolsky & Vetterling, 1986).
The hidden and output layers consist of nodes with
sigmoidal activation function, A sigmoidal activation
function usually takes the following form:
1
f(x)= (1)
1+ e − x
The range of FANN training data shown in Fig. 3 is
limited and, therefore, the applicability range is also
very narrow. The validation set shown in Fig. 6 is a set
of four operation results not belonging to the training
set. However, care was taken in the choice of this set in
order to have significant differences from the training
set and to prove the accuracy of FANN predictions
Fig. 3. FANN training data set.
over the training range.
Being able to predict the FANN output values, the
The selection of input and output variables used to
remaining variables that completely characterise both
generate the FANN structure was based on the fact extract and raffinate streams, can be obtained by mass
that all FANN inputs must be independent variables balance. It was assumed on this approach that vacuum
that can be manipulated in the process, while output residue behaves like a pseudo-binary mixture, with a
variables depend on input values. Together, FANN pseudo-component representative of paraffinic con-
input and output variables, make possible a complete tents, Oil and a pseudo-component representative of
characterisation of both RDC output streams. The asphaltenic contents, Asphalt.
selected variables are shown below. Defining FAR as the Asphaltic Residue stream (AR)
Inputs volumetric flowrate and dAR the respective density, the
“ Vacuum Residue volumetric flowrate (FVR) following relationship can be assumed
“ Vacuum residue density (dVR)
FVR × dVR = FDAO × dDAO + FAR × dAR (2)
“ Solvent flowrate (Fsolv)
“ Feed temperature (TVR) Since dVR and dDAO are known variables, the AR
“ RDC top tray temperature (TRDC Top) density can be calculated by:
“ Rotor velocity (Vrotor)
dVR − (FDAO/FAR)dDAO
dAR = (3)
1− FDAO/FAR
Outputs
Similarly, a mass balance to the DAO and AR
“ DAO flowrate (FDAO) streams gives:
“ DAO density (dDAO)
FDAO × dDAO = F DAO
Oil × d*
DAO
Oil + F Asphalt × d*
Asphalt (4)
“ Solvent flowrate on raffinate stream (Fsolv bott)
“ RDC bottom tray temperature (TRDC bott) FAR × dAR = F AR
Oil × d*Oil + F AR
Asphalt × d*Asphalt (5)
Once the input and output variables are selected, the
where, F AR DAO
Aphalt and F Asphalt are volumetric flow rates of
structure of the FANN model should be specified.
pseudo-component Asphalt, F AR DAO
Oil and F Oil are volu-
Cybenko (1989) has shown that a FANN with one
metric flowrates of pseudo-component Oil, respectively,
hidden layer is sufficient to approximate any function if
in raffinate and extract streams, and d *Oil and d *Asphalt the
this layer has enough nodes. Neural networks models pure pseudo-components density.
with one hidden layer and with different number of The flowrate of each pseudo-component in both
nodes in that layer were tested. However, as the num- streams, can now be obtained according to the follow-
ber of hidden nodes increases, the training error (sum ing equations:
of squared errors between the training data and net-
work-predicted outputs) decreases till a minimum that dDAO − d*Asphalt
F DAO
Oil = F (6)
was reached with four hidden nodes. d*Oil − d*Asphalt DAO
 J.J.C. Aparı́cio et al. / Computers and Chemical Engineering 26 (2002) 1369–1377 1373

F DAO
Asphalt = 1−
 dDAO −d*Asphalt n FDAO (7) the RDC, it becomes necessary to recharacterise the
d*Oil − d*Asphalt unit feedstock, knowing that lube oil is a complex
mixture, mainly consisting of paraffinic, aromatic and
dDAO − d*Oil naphthenic hydrocarbons, and small amounts of non-
F AR
Asphalt = F (8)
d*Asphalt − d*Oil AR hydrocarbon compounds containing S, N, O and

F AR
Oil = 1−
dDAO − d*Oil  FAR
d*Asphlat − d*Oil
Outputs of FANN conjugated with the variables
determined from Eqs. (6)– (9) completely characterise
the RDC output streams both in mass and energy
terms. Fig. 4 shows a scheme of the FANN created
and the outputs from mass balance.
4. KUOP model
Petroleum components are usually defined in terms
of assay data. Typically an assay consists of distilla-
tion data (True Boiling Point (TBP), American Soci-
ety for Testing and Materials (ASTM)), gravity data,
and often data for molecular weight, lightness compo-
T(R)
(9)
some metals.
Nelson, Watson and Murphy of U.O.P. Society
(Universal Oil Products) (Wuithier, 1972), observed
that the specific gravities of hydrocarbons are related
to their H/C ratio and, therefore, with their chemical
character, and that the boiling point is related with
the number of carbon atoms of the molecule. They
established a mathematical relation between specific
gravity (Sp.Gr. (60/60), ratio of a hydrocarbon density
at 60 °F to that of water at the same temperature
(Wauquier, 1995)) and temperature, which allows the
determination of these relationships, each one for
components belonging to the same chemical family.
This relation defines the KUOP characterisation factor
(or simply K).
3

nents and special refining properties such as pour KUOP = (10)

point, cloud point and sulphur contents. Each individ-
ual pseudo-component is a narrow boiling cut or frac-
tion (Wauquier, 1995).
Aiming the development of a process simulator
model able to reproduce a trustworthy performance of
Fig. 4. Output variables from FANN and mass balance.
Fig. 5. Arabian Light crude oil characterisation curve and constant
KUOP curves.
Sp.Gr.(60/60)
where, T(R) is the absolute temperature in R.
This representation establishes, therefore, a double
classification of hydrocarbons: a classification based
on boiling temperatures and a classification by chemi-
cal families.
Typical values of KUOP are shown below.
“ Paraffinic hydrocarbons: KUOP : 13
“ Naphthenic hydrocarbons: KUOP : 11–12
“ Aromatic hydrocarbons; KUOP : 10
Fig. 5 shows the characterisation curve of the Ara-
bian Light crude oil assay pseudo-components together
with curves for constant KUOP.
The methodology adopted for the feed recharacteri-
sation process was to separate each pseudo-component
of the assay in three new pseudo-components with the
same boiling point but different specific gravities and,
therefore, different chemical families.
The composition of each assay pseudo-component
(liquid volume) in the feed, was established according
to the software simulation results obtained for the
Vacuum Distillation Unit. Pseudo-components with
Normal Boiling Point (NBP) below 385 °C were re-
jected since their contribution to the vacuum residue
composition is negligible.
As a starting point, it was assumed that each assay
pseudo-component was formed by a pure paraffinic
‘component’ (KUOP = 13), a ‘component’ with the same
KUOP value as the corresponding assay pseudo-compo-
nent (called primitive ‘component’), and a pure aro-
matic ‘component’ (KUOP = 10).
1374 J.J.C. Aparı́cio et al. / Computers and Chemical Engineering 26 (2002) 1369–1377
Fig. 6. New vacuum residue characterisation curve.
Fig. 7. Experimental data and FANN predictions for the validation
set.
The procedure by which assay pseudo-components
are converted to these three new ‘components’, can be
performed in terms of the following steps:
Calculate new components Sp.Gr. (60/60) using Eq.
(10).
Fix liquid composition rate (Vol. FR) of primitive
‘component’ (to start, it was assumed that it was
20% (liquid volume) of the correspondent assay
pseudo-component).
Determine liquid composition rate of paraffinic
‘component’ according to the following equation
Vol. FRparaffinic =0.8 ×Vol. FRassay
Sp.Gr.(60/60)aromatic −Sp.Gr.(60/60)assay
× (11)
Sp.Gr.(60/60)aromatic −Sp.Gr.(60/60)paraffinic
Determine liquid composition rate of aromatic
‘component’ by mass balance. After this recharacter-
isation, the new feed composition was inputted in
the process simulator model and the simulation was
tested. Rearrangements of KUOP values were made
by a trial and error method, till a minimum devia-
tion in the following variables was obtained:
“ DAO yield;
“ RDC top temperature;
“ RDC bottoms solvent flowrate;
“ Solvent temperature;
“ DAO density;
“ AR density.
As it can be seen in Fig. 5, the assay pseudo-com-
ponent with NBP= 775 °C does not fall within the
trend of the vacuum residue characterisation curve.
For this reason, it was separated not in three but in
four ‘components’. Three ‘components’ with NBP =
725, according to the same criteria used for the other
pseudo-components, and a fourth ‘component’ with
NBP =775 °C and Sp.Gr. (60/60) determined by mass
balance. Then KUOP is calculated and kept constant
along iterations, This new ‘component’ is, for simula-
tion purposes, representative of metals and other im-
purities in the vacuum residue.
After several attempts, it was found that the new
pseudo-components KUOP values that yield the best
simulation results, obey to a linear variation with
NBP, as shown in Fig. 6. On the other hand, simula-
tion results are not very sensitive to variation of primi-
tive ‘component’ liquid composition rate around 20%
and so the starting value of 20% was always kept.
5. Results and discussion
Validation of both methodologies was made by
comparison of model’s predictions with real operating
and laboratory data from the refinery.
5.1. Artificial Neural Network Model
Results obtained by the FANN were tested by com-
parison with a validation data set, not belonging to
the training set.
Fig. 7 shows both experimental data and FANN
predicted data for the four pattern validation set.
Maximum and mean relative errors between FANN
outputs and experimental data for the different vari-
ables, were calculated and presented in Table 1. As
can be seen, the maximum relative error observed,
9.0%, is for the solvent flowrate of the RDC bottom.
Mean relative errors lower than 5% were found for all
the FANN output variables.
 J.J.C. Aparı́cio et al. / Computers and Chemical Engineering 26 (2002) 1369–1377 1375

Table 1 variables were rather limited, which presents a con-

Mean and maximum relative errors found in FANN predictions
strain for the FANN model regarding its predictive
Maximum relative Mean relative capabilities for operating conditions outside the narrow
error (%) error (%) training limits.

DAO flowrate 5.1 3.1

DAO density 0.2 0.1 5.2. KUOP model
RDC bottom solvent 9.0 4.4
flowrate
RDC bottom 2.1 1.2 A simulation model illustrated in Fig. 2 was created
temperature in the process simulator software. A four theoretical
tray column with the liquid–liquid algorithm was used.
Such algorithm applies a modification of the Naphtali–
Results obtained show that trained network model Sandholm block tridiagonal matrix method to simulate
presents a good predictive performance when validation the multi-component liquid–liquid extraction.
data is within training limits. The Peng–Robinson thermodynamic method was
In this particular case, data from the refinery histori- used to predict the liquid–liquid equilibria.
cal was available to train and validate the neural net- The vacuum residue properties and composition in-
work created. However, the ranges for the process putted in the simulator are shown in Table 2.

Table 2
Vacuum residue properties and composition

NBP (°C) Paraffinic Primitive Aromatic

KUOP Vol. FR (m3/h) Sp. Gr. (60/60) KUOP Vol. FR (m3/h) Sp. Gr. (60/60) KUOP Vol. FR (m3/h) Sp. Gr. (60/60)

385 13.00 0.00030 0.8139 11.72 0.00018 0.9030 10.92 0.00041 0.9690
395 13.01 0.00056 0.8171 11.71 0.00033 0.9080 10.93 0.00078 0.9725
405 13.03 0.00105 0.8202 11.74 0.00062 0.9104 10.95 0.00144 0.9761
415 13.04 0.00196 0.8233 11.74 0.00118 0.9147 10.96 0.00277 0.9795
425 13.06 0.00371 0.8264 11.74 0.00227 0.9188 10.98 0.00535 0.9829
435 13.07 0.00709 0.8294 11.75 0.00439 0.9228 10.99 0.01045 0.9863
445 13.09 0.01365 0.8323 11.76 0.00854 0.9267 11.01 0.02050 0.9896
455 13.10 0.02631 0.8352 11.76 0.01664 0.9305 11.02 0.04024 0.9928
470 13.13 0.13854 0.8395 11.77 0.08876 0.9359 11.05 0.21651 0.9976
490 13.15 0.47780 0.8451 11.82 0.30006 0.9406 11.07 0.72245 1.0038
510 13.18 1.49458 0.8505 11.83 0.95710 0.9476 11.10 2.33382 1.0098
530 13.21 3.10619 0.8558 11.84 2.04103 0.9548 11.13 5.05791 1.0156
550 13.24 2.66595 0.8609 11.85 1.81540 0.9624 11.16 4.59567 1.0213
570 13.27 2.22157 0.8659 11.84 1.57926 0.9702 11.19 4.09545 1.0268
590 13.30 1.95925 0.8707 11.84 1.46847 0.9783 11.22 3.91464 1.0321
625 13.35 3.94658 0.8789 11.84 3.21787 0.9914 11.27 8.92490 1.0411
675 13.43 2.82163 0.8901 11.84 2.63212 1.0095 11.35 7.70683 1.0532
725 13.50 1.99401 0.9005 11.84 2.17520 1.0269 11.42 6.70679 1.0645
775 10.83 18.45293 1.1411

Table 3
Operating data

Stream name Propane V. residue Raffinate Extract AR DAO

Stream phase Liquid Liquid Liquid Liquid Liquid Liquid

Temperature (°C) 46.00 46.00 46.00 68.00 100.00 100.00
Pressure (kg/cm2) 48.50 44.00 44.00 43.20 44.00 43.20
Total standard liquid rate (m3/h) 107.20 25.50 32.50 100.20 – –
Total mass rate (kg/h) 54 450.00 25 800.00 25 500.00 54 750.00 – 8500.00
Total standard liquid density (kg/m3) – 1011.80 – – 1061.30 923.90
Total weight composition rates (kg/h)
Total DAO 0.00 25 800.00 17 300.00 8500.00 17 300.00 8500.00
Solvent 54 072.86 0.00 8200.00 46 250.00 0.00 0.00
1376 J.J.C. Aparı́cio et al. / Computers and Chemical Engineering 26 (2002) 1369–1377

Table 4
Simulation results

Stream name Propane V. Residue Raffinate Extract AR DAO

Stream phase Liquid Liquid Liquid Liquid Liquid Liquid

Temperature (°C) 46.92 46.00 48.05 68.98 100.00 100.00
Pressure (kg/cm2) 48.50 44.00 44.00 44.00 44.00 44.00
Total standard liquid rate (m3/h) 107.20 25.50 32.58 100.12 16.30 9.20
Total mass rate (kg/h) 54 072.86 25 807.47 25 535.22 54 345.11 17 309.48 8494.74
Total KUOP 14.75 11.63 12.33 14.40 11.19 12.52
Total standard liquid density (kg/m3) 504.41 1012.06 783.70 542.82 1062.13 923.34
Total weight composition rates (kg/h)
Paraffinics 0.00 4635.23 0.88 4634.35 0.30 4634.33
Primitive 0.00 4088.64 1838.12 2250.52 1836.65 2250.51
Aromatics 0.00 17 083.60 15 473.72 1609.87 15 472.11 1609.85
Total DAO 0.00 25807.47 17312.73 8494.74 17309.07 8494.69
Solvent 54 072.86 0.00 8222.49 45 850.37 0.41 0.04

Table 5
Results comparison for both methodologies in a heat exchanger train

ANN model KUOP model

Shell side Tube side Shell side Tube side

Inlet Outlet Inlet Outlet Inlet Outlet Inlet Outlet

HX1 DT (°C) −0.34 1.25 −0.60 0.04 −0.29 0.34 3.06 0.03
Error (%) 0.35 1.69 1.55 0.06 0.30 0.46 7.93 0.04
HX2 DT (°C) 2.75 4.14 0.04 2.01 2.16 −0.79 0.03 0.90
Error (%) 1.68 4.31 0.06 2.51 1.32 0.82 0.04 1.13
HX3 DT (°C) n/a n/a 2.01 2.64 n/a n/a 0.90 1.27
Error (%) n/a n/a 2.51 2.26 n/a n/a 1.13 1.09
SDT 2 41.7932 18.0877

The simulation results (Table 4) were compared with
the operating data (Table 3). A maximum relative error
of 4.5% was found in raffinate temperatures.
Relative errors lower than 1% were found in all
stream flowrates and lower than 0.1% in product
densities.
Table 4 also shows that the distribution of the differ-
ent pseudo-component chemical families was performed
as expected. Paraffinic components were extracted in
the solvent rich phase while aromatic components re-
mains in the asphaltic residue. Primitive ‘components’
are distributed almost equally in both phases.
Product specifications are also preserved in the simu-
lation results, since errors found in DAO density and
viscosity are very low.
enters a furnace, where solvent is vaporised to be
recovered.
As an illustration and for comparison purposes,
Table 5 presents the deviation from process data, ob-
tained for this heat exchangers train, using both extrac-
tion models.
As can be seen, better results were obtained in the
global simulation model, when the RDC was simulated
based on the KUOP methodology.
This can be explained by the fact that the assump-
tions made in the neural network model (Vacuum
Residue behaves like a pseudo-binary mixture) are very
simplistic and the physical properties of the pseudo-
components, computed by the simulator, may not be
very accurate.

5.3. Models comparison

The complete deasphalting plant was simulated using
PRO/II simulator and the described models for the
extraction unit.
This plant has an heat exchangers train (three heat
exchangers) to pre-heat the raffinate stream before it
6. Conclusions
Two different approaches have been proposed for
RDC modelling and simulation. The first one based on
artificial neural network methodologies, and the second
one, based on KUOP characterisation factor.
 J.J.C. Aparı́cio et al. / Computers and Chemical Engineering 26 (2002) 1369–1377
The trained network model shows sufficient predic-
tive performance and applicability when data points are
estimated by interpolation. A maximum relative error
of 9% was found when comparing process data with
FANN predictions.
Use of feedforward artificial neural network method-
ology is simpler and input data is easy to obtain, since
refinery keeps in a database the historical of operating
conditions and results, used to train and validate the
neural network. However, in this particular case, the
ranges of the process variables were rather limited,
which is constrained to the FANN model regarding
future simulations with operating conditions outside the
narrow training limits.
In the second approach, a recharacterisation of the
unit feedstock was made based on the KUOP characteri-
sation factor. Each assay pseudo-component was sepa-
rated in paraffinic, primitive and aromatic
‘components’. The content of these components in the
feedstock depends on the crude source and on the
refining processes that the crude oil undergoes before
the deasphalting unit, and must be determined by a
trial and error method. A maximum relative error of
4.5% was found, when comparing the simulation results
with operating data.
The KUOP method can be extended to other liquid–
liquid extraction systems in refinery industry and with
different crude sources. The only requirement is that
project data must be available for comparison with the
simulator results in the recharacterisation phase. On the
other hand, for extraction processes, other than liquid–
liquid extraction (such as distillation) this method is not
appropriated, first because this methodology only
makes sense when the separation is made based on
solvent interactions with different chemical structures
of the compounds involved, and second, because ther-
modynamic packages of commercial process simulators
can predict with good accuracy the behaviour of extrac-
tion units when feedstock is characterised based on
distillation pseudo-components.
For this particular case and concerning the objectives
of this research, the KUOP methodology, based on fun-
damental chemistry, is more suitable than FANN ap-
proach because it can be applied in a wider range of
operating conditions of the extraction unit. However, in
similar extraction problems with a wider range of pro-
cess variables as training data set, the FANN could be
1377
an alternative methodology due to its simplicity and
easy use in simulation processes.
Acknowledgements
This work was supported by Agênda de Inovação,
Petrogal SA and FEUP under research contract
Galporto21.
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