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Department of Chemical and Biochemical Engineering, Technical University of Denmark, Sltofts Plads, 2800 Kongens Lyngby, Denmark
Process Systems Engineering Centre (PROSPECT), Faculty of Chemical Engineering, Universiti Teknologi Malaysia, 81310 Skudai, Johor, Malaysia
a r t i c l e
i n f o
Article history:
Received 2 November 2013
Received in revised form
21 December 2013
Accepted 24 December 2013
Available online 3 January 2014
Keywords:
Product design
Blended product
Gasoline blend
Lubricant base oil
a b s t r a c t
A systematic methodology for design of tailor-made blended products has been developed. In tailor-made
blended products, one identies the product needs and matches them by blending different chemicals.
The systematic methodology has four main tasks. First, the design problem is dened: the product needs
are identied, translated into target properties and the bounds for each target property are dened.
Secondly, target property models are retrieved from a property model library. Thirdly, a mixture/blend
design algorithm is applied to obtain the mixtures/blends that match the design targets. The result is
a set of blends that match the constraints, the composition of the chemicals present in the blend, and
the values of the target properties. Finally, the mixture target property values are veried by means
of rigorous models for the properties and the mixtures. In this paper, the methodology is highlighted
through two case studies involving gasoline blends and lubricant base oils.
2014 Elsevier Ltd. All rights reserved.
1. Introduction
A blended liquid product is dened as a formulation of various chemicals in the liquid state to obtain a liquid mixture with
a particular set of desired characteristics and qualities. Examples of blended liquid products are synthetic fuels and lubricants.
Consumer-oriented liquid products, which are also blends of chemicals, are usually called formulated products, where a solid active
ingredient is dissolved and blended with other chemicals. For
example, the formulation of an insect repellent contains a solid
active ingredient that is responsible for the main function of the
product, solvents that deliver the active ingredient, and additives that enhance the quality of the product (Conte, Gani, & Ng,
2011). The blended liquid products, on the other hand, contain
one or more liquid chemicals that serve as the main ingredient and perform the main function of the product (for example,
release heat when combusted or absorb heat or release and take
up heat in a cyclic operation) and additives that enhance the quality of the product. For example, a lubricant blend may contain a
Abbreviations:
2BE, 2-butanone; 2MT, 2-methyltricosane; 3ET, 3ethyltetracosane; 3ME, 3-methyleicosane; 9ODA, cis-9-octadecenoic acid; ACE,
acetone; DFE, 1H-dibenzo[a,i]uorene,eicosahydro-; ETOH, ethanol; G, gasoline;
GLY, propane-1,2,3-triol; MeTHF, furan,tetrahydro-2-methyl-; MI, main ingredient;
MoT, modeling tool; PE, polyethylene; THF, tetrahydrofuran; WCO, waste cooking
oil.
Corresponding author at: Department of Chemical and Biochemical Engineering,
Technical University of Denmark, Sltofts Plads, 2800 Kongens Lyngby, Denmark.
Tel.: +45 45252910; fax: +45 45932906.
E-mail addresses: noy@kt.dtu.dk, alaza@gmail.com (N.A. Yunus).
0098-1354/$ see front matter 2014 Elsevier Ltd. All rights reserved.
http://dx.doi.org/10.1016/j.compchemeng.2013.12.011
specic base oil as the main ingredient and a set of additives. The
base oil primarily determines the lubricant performance and the
additives enhance its quality. In this work, only the class of formulations that are blended liquid mixtures are considered, and
they will be referred to as tailor-made blended products throughout this article. A tailor-made blended product will refer to a
mixture of several chemicals tailored to match specic product
attributes.
In order to efciently design tailor-made blended products,
a systematic methodology is needed. Several efforts have been
reported on the development of systematic methodologies for
product design. Churi and Achenie (1997) proposed a mathematical programming approach to design refrigerant mixtures. A small
set of individual refrigerants were used as the building blocks
in the mixtures design. This approach is practical in obtaining
the best mixture by optimizing a performance criterion but the
approach only implies one type of ingredient in the mixtures. On
the other hand, Cheng, Lam, Ng, Ko, and Wibowo (2009), Conte,
Gani, and Ng (2011), Conte, Gani, Cheng, and Ng (2012) and Teixeira,
Rodriguez, Rodrigues, Martins, and Rodrigues (2012) designed consumer oriented chemicals based products that involve various
types of ingredients. Cheng et al. (2009) proposed an integrated
approach to design a skin care cream, taking into consideration both
technical as well as business-related factors. Meanwhile, Conte
et al. (2011) developed a model-based computer-aided methodology to design and verify formulated products (for example, paint
and insect repellent lotion). Conte et al. (2012) added an experimental component to their model-based approach. That is, the nal
validation, selection and adjustment of the design is made through
experiments.
202
Nomenclature
Indexes
i
j
B
k
m
compound i in blend
compound j in blend
blend
target property
mixture
Notation
activity coefcient
solubility parameter (MPa1/2 )
target property
dynamic viscosity (cP)
kinematic viscosity (cSt)
0
kinematic viscosity of 0 VI oil at 40 C (cSt)
kinematic viscosity of blend oil at 40 C (cSt)
B
kinematic viscosity of 100 VI oil at 40 C (cSt)
100
density (g/cm3 )
amorphous density (g/cm3 )
a
acentric factor
k,m
x1,UB
ZRA
Design of tailor-made blended products is challenging in different ways. Tailor-made blended products usually have a main
ingredient that is mixed with additives, to obtain the desired endproperties. The challenge in the design of these products is to nd
suitable chemicals and their compositions within the blend such
that the end-properties of the resulting product achieve the desired
performance. Chemical selection is an important step in blended
product design and has the potential to signicantly enhance the
likelihood of nding truly innovative products. Another challenge is
how to deal with the phase behavior issue since by denition, the
blended products must be stable liquid solutions. Therefore, efcient solution strategies are needed to deal with all the challenges.
It is the intention to implement the model-based methodology proposed in this paper at the early stage of blend design. The proposed
approach is suitable to perform two of the four product design steps
of (Cussler & Moggridge, 2011): generate ideas and select ideas. The
use of computer-aided methods allows to quickly identify the most
suitable blend candidates and avoid spending efforts on infeasible
regions of the search space. The objective here is to save time and
resources by quickly identifying the promising blends and then verifying and/or improving them through focused experimental work.
The objective of this paper is to present a systematic
methodology for design of tailor-made blended products using
a computer-aided model-based technique. The methodology is
divided into four main tasks; problem denition, model identication, candidate (blends) generation and model-based verication.
Three supporting tools are developed for this work, namely,
a chemical database, a property model library and a blendcomposition optimizer. The methodology has been applied to two
case studies involving the design of gasoline and lubricant blends.
This paper is an extended version of a short ESCAPE-23 contribution
(Yunus, Gernaey, Woodley, & Gani, 2013).
2. Methodology
The systematic methodology employs the reverse design
approach (Gani & Pistikopoulos, 2002), where the targets of the
design problem are dened and blends that match the targets
are identied. In blend design, thousands of blend candidates are
systematically generated and screened. For most problems it is possible to generate and screen all potential feasible blend candidates.
The tailor-made blend design problem is formulated as a mathematical problem, which results in a Mixed Integer Non-Linear
Programming (MINLP) problem. The objective here is to optimize
a specic performance, subject to product stability and attributes
(target properties) as well as process specications. The result from
the solution of the problem is information on the blends in term of
the chemicals that are present in it, their compositions, and the
estimated target property values.
Considering the multiple types of constraint equations, the general tailor-made blend problem is formulated as follows:
min or max fobj (x, y, C, E, S, Q )
(1)
Subject to
g1 (x, y) 0
Mixture constraints :
g3 (x) = 0
x|x Rn , 0 x 1
0, 1
(2)
(3)
(4)
(5)
(6)
Chemical databases
STABILITY tool
203
Blend formulations
Fig. 1. Work ow in the systematic methodology for tailor-made blended product
design.
204
Table 1
List of methods and tools used in the blend design methodology.
Tasks
Description
Methods/tools
Task1
Problem denition
1.1 Identify needs
1.2 Translate needs into target
properties
1.3 Set the target values
Knowledge base
Knowledge base
Knowledge
base/legislation/safety
Task2
Property models
library
Task3
Mixture/blend design
3.1 Collect input data
3.2 Generate and screen blends
using the mixture/blend design
algorithm
3.3 Rank blend candidates
according to a selection
criterion
Chemicals database
Mixture/blend design
algorithm, chemicals
database, STABILITY
test
Task4
Model-based verication
4.1 Verify using rigorous
models
Property models
library
205
Target region
k,m 2k
x1k,m =
(9)
1k 2k
k and k > k ).
UB
UB
j
k,m
and x1,UB
calculated by Eqs. (7)(8) for each property k are used as
follows:
k,m
m
x1,LB
= max x1,LB
k,m
x1,UB
=
k,m
UB
2k
(7)
1k 2k
k,m
LB
2k
(8)
1k 2k
MIX
Target region of
k,m
m
x1,UB
= min x1,UB
(10)
(11)
m
m .
> x1,UB
Rule 4: Reject any binary mixture, if x1,LB
Rule 5: A ternary or multi-component mixture is assumed to
be infeasible if any of the binary mixtures representing it is found
infeasible. For example, if binary mixtures of MI + B1 , and MI + B2
are rejected due to the implementation of rule 4, then the combination of them to form a ternary mixture MI + B1 + B2 is regarded as
infeasible.
Steps 3.1 and 3.2 are combined and solved as a linear optimization problem to minimize and maximize the blend compositions
subject only to linear constraints as follows:
(12)
s.t.
LB g2 (x, ) UB
g3 (x) = 0
x
(13)
(14)
x|x Rn , 0 x 1
(15)
(16)
206
s.t.
LB g4 x, , UB
(17)
g5 (x) = 0
(18)
(19)
Table 2
Section of the database with numbers of available chemicals. The last column indicates the pure chemical property present in the database.
Section
Main
ingredient
Additives: number
of compounds
Gasoline
Conventional
gasoline
Bio-based: 22
Others: 660
Non temperature
dependence;
Mw, Tc, Pc, , ZRA , LC50 , Tf ,
Hc , ON, WtO2
Temperature dependence:
(15 C),
(15 C), Psat
(38 C),
Lubricant
Base oil
- Mineral oil
- Glycerol
- WCO
- Waste PE
Hydrocarbons: 913
Bio-based: 25
Polymers: 150
Others: 624
Non temperature
dependence;
Mw, Tf , Tm , PP, , Tg , [], a
Temperature dependence:
(100 C), (40 C),
(100 C),
(40 C), Psat
(25 C)
Table 3
Target properties of blend and models used in this work.
Target property
Model
Function
Dynamic viscosity,
Denition, =
Correlation (Rizvi, 2009)
Linear mixing rules
f (i , xi )
f (
i , i , xi )
f (i , xi )
f (ZRAi , Vci , T, xi )
f (RONi , xi )
GC(UNIFAC)-based method
f (Pvap,i , i , xi )
f (O2,i , xi )
f (Tf,i , i , xi )
f (GC, xi )
2.3. Database
A database of chemicals stores the physico-chemical properties
of each chemical. The database is divided into sections representing each specic type of blended product because different
products require different types of chemicals and sets of properties. The list of chemicals includes those that are commonly found
in blended products. Furthermore, additional chemicals are generated using the computer-aided molecular design (CAMD) technique
(Gani, Nielsen, & Fredenslund, 1991) to ll in the gaps. The generated chemicals that satisfy a set of target properties are stored in
the database. For the gasoline database, the target properties are
specied as follows: chemicals must be in liquid form at ambient temperature (Tm < 293 K), and must not be unstable, toxic or
corrosive. Olens are easily oxidized to form gums during storage,
thus they should not be used in gasoline blends. This section of
the database stores chemicals that have the potential to be used as
fuel substitutes. The gasoline database holds 660 chemicals of various types, for example ethers, esters, aldehydes, ketones, amines,
amides and furans.
The lubricant section of the database contains chemicals with
high viscosity that makes them suitable as base oil. The lubricant
section contains; 913 alkanes, 624 organic chemicals including
alcohols, ethers, esters, acids and derivatives, and 150 polymers. The information on the physico-chemical properties and
their parameters are also provided in the database. They are
retrieved from the CAPEC database (Nielsen, Abildskov, Harper,
Papaeconomou, & Gani, 2001) and from handbooks (Brandrup,
Immergut, Grulke, Abe, & Bloch, 1999; Yaws, 2003). The missing
pure component properties, for instance, ash point, lethal concentration, solubility, etc., are predicted using the property prediction
tool (Hukkerikar, Sarup, et al., 2012). Note that experimental data
are used if they are available. The details on the chemicals database
are given in Table 2.
2.4. Property model library
A library of property models used to estimate mixture and pure
component properties has been developed. Tables 3 and 4 list the
mixture and pure component properties covered by this library.
The models are collected from the literature, and some of them are
developed using the group contribution approach. Linear mixing
Kinematic viscosity,
Viscosity Index, VI
Higher Heating Value,
HHV
Density,
Research Octane
number, RON
Reid Vapor Pressure,
RVP
Oxygen content, WtO2
Open cup ash point, Tf
Cost, C
Toxicity parameter,
LC50
Energy of mixing,
Gmix
Pour point, PP
f (
, )
f ()
f (HHVi , xi )
f (Ci , xi )
f (LC50,i , xi )
f (BIPPi , xi )
Table 4
Property model to estimate the pure component property.
Property of pure
compound
Model
Function
GC method (developed)
f (GC)
f (GC)
Kinematic viscosity, i
Vapor pressure, Pvap,i
Density, i
Open cup ash point,
Tf,i
Cost, Ci
Lethal concentration,
LC50,i
f (
i , i )
f (T)
f (Tc,i , Pc,i , T)
f (GC, Tfp,i )
f (i )
f (GC)
rules are used to estimate those mixture properties for which it can
be assumed that the given property is additive. Additive properties
include oxygen content, standard specic gravity and normal boiling point. However, properties like viscosity, density, ash point,
pour point, and Reid vapor pressure (RVP) are not additive. Nevertheless, the linear mixing rule is employed to some of them as a
simplication in the blend design methodology. The models have
been veried using experimental data and found to be of acceptable accuracy. The estimated values of viscosity and density are
compared with the experimental data obtained from the literature
(Chen, Shen, Ko, & Chang, 2011; Kermanpour, Jahani, & Iloukhani,
2009; Teja & Rice, 1981; Totchasov, Nikiforov, & Alper, 2002).
Table 5 shows the average absolute error (AAE) of the estimated
properties for several mixtures at various temperatures.
3. Applications
The systematic methodology and its implementation are highlighted through two case studies: tailor-made gasoline blends and
base oil (lubricant) blends. The optimization problems (steps 3.1,
4.1 and 4.2, in Section 2.2) are solved using MATLAB, where the linear problem is solved using the linprog solver, while, the function
fmincon is used to solve the non-linear problem with the maximum
number of interations set to 1000.
3.1. Case study 1: design of gasoline blends
For gasoline, the following two issues need to be considered
among others; the rst is related to the security (or availability)
of crude oil supply and the second is related to the presence of
toxic constituents in gasoline that are harmful to the environment
as well as to humans. To address these issues, potential chemicals
derived from renewable sources are being blended with conventional gasoline. Adding bio-based chemicals can reduce the crude
oil consumption and the amount of released toxic chemicals. The
new formulation of gasoline blends should have a good fuel performance, should be safe and have low environmental impacts.
The objective of this case study is to design gasoline blends that
are suitable for a car (spark-ignition type) engine and used in a
hot climate with average ambient temperature of 27 C. Gasoline
is chosen as the main ingredient and is blended with chemicals
derived from renewable sources called bio-based chemicals. The
bio-based chemicals selected in the database are alcohols with low
carbon number (C2C5), ethers, ketones, acid and furan derivatives.
The blends may consist of two or more chemicals (in addition to the
gasoline chemicals) to form either binary or ternary mixtures with
the base gasoline.
207
3.1.1.3. Task 1.3 Set target values. Referring to the existing products, legislation and literature study (van Basshuysen & Schfer,
2004; Forsythe, 2003) the target values for each property are set as
follows.
Ability to be burned :
Engine efciency :
45 RVP (kPa) 60
RON 92
(20)
(21)
Table 5
Average absolute errors (AAE) of estimated viscosity and density at different temperature (K).
Mixtures
AAE
Viscosity
n-Hexane + benzene
n-Hexane + toluene
n-Hexane + ethylbenzene
Methanol + octane
Ethanol + octane
298.15
1.09E02
0.90E02
1.73E02
293.15
0.70E02
263.15
9.15E02
308.15
1.65E02
0.71E02
4.59E02
298.15
0.65E02
268.15
6.87E02
323.15
0.76E02
0.57E02
1.34E02
303.15
0.59E02
273.15
5.97E02
313.15
0.51E02
283.15
5.28E02
293.15
3.92E02
333.15
0.16E02
293.15
8.36E04
4.25E04
8.66E04
353.15
0.15E02
298.15
8.08E04
4.10E04
8.69E04
303.15
30.1E04
3.92E04
8.74E04
308.15
3.89E04
8.60E04
313.15
3.69E04
8.55E04
Density
Heptane + octane
2-Methyl-1-butanol + dibutyl ether
EGMBE + 2-ethyl-1-butanol
2-Ethyl-1-butanol + dibutyl ether
208
Table 6
Pseudo-component of gasoline to represent the MI.
Chemicals
Composition, wt%
Butane
Heptane
Iso-octane
1-Pentene
Methylcyclopentane
Toluene
6.58
12.60
53.99
3.63
8.47
14.73
HHV (MJ/kg) 35
(22)
0.30 (cP) 0.60
Consistency of fuel ow :
0.720 (g/cm3 ) 0.775
Flammability :
Toxicity :
Stability :
Tf (K) 300
mix
<0
Environmental aspect :
(23)
(24)
(25)
(26)
(27)
2 WtO2 (wt%) 20
(28)
NC
xi ik
(29)
i
NC
xi i P sat (308 K)
i
i=1
NC
i=1
RVPB
k
LB
=1
(30)
=1
(31)
NC
k
xi ik UB
(33)
i
NC
xi i Pisat (Tf )
Pisat (Tf,i )
(32)
xi 1 = 0
(34)
i=1
0 < xi < 1
(35)
(36)
Binary mixture
Ternary mixture
Level 1
22
231
Level 2
16
16
221
221
Level 3
5
67
Fig. 5. Number of gasoline blend candidates reduced after screening using the mixture/blend design algorithm.
s.t.
xi i P sat (308 K)
NC
i=1
NC
RVPB
xi 1 = 0
=1
(37)
(38)
i=1
112
Level 4
209
(39)
210
Table 7
Gasoline blended candidates with their composition and properties.
No.
Composition (vol%)
1
2
3
4
5
G (69)
G (67)
G (72)
G (75)
G (77)
Properties
THF (11)
ACE(13)
ACE(10)
2BE (13)
ETOH(12) (12)
MeTHF(20)
MeTHF(20)
2BE(18)
MeTHF(12)
MeTHF(11)
HHV
WtO2
RVP
RON
log LC50
41
41
40
43
42
7.2
7.8
7.3
5.5
6.7
46
46
49
45
45
96
0.48
0.47
0.48
0.50
0.57
2.7
2.7
2.7
2.9
2.8
kinematic viscosity ()
viscosity Index (VI)
pour point (PP)
density ()
ash point (Tf )
volatility (Vvap )
3.2.1.3. Task 1.3 Set target values. Referring to the existing products
(Anderson et al., 2010; Kramer et al., 1999) as benchmark and using
the knowledge base, the target values for each property are set as
follows.
Ability to lubricate and prevent wear :
Resist at high temperature :
(cSt) 4.119
VI 80
(41)
PP (K) 293
Vvap (wt%) 15
(40)
(42)
(43)
(44)
(45)
BIB =
n
xvi BIPPi
(46)
BIPPi = PPi
1/0.08
(47)
o B
100 VILB
o 100
(48)
i=1
3.2.3.2. Task 3.2 Perform mixture/blend design algorithm. The problem is solved using the mixture/blend design algorithm. At Level 1
of the algorithm, the properties of viscosity, density and pour point
are considered. Then the blend stability is checked at Level 2. All
the linear constraints, viscosity and density are considered at Level
3; and at Level 4 the blends that satisfy the non-linear constraints,
(viscosity index, pour point, ash point and vaporization loss) are
used.
Level 1: Pure component constraints
Step 1.1: This step is applied to all chemicals by comparing their
viscosity, density and melting points with their target values. 946
binary mixtures are screened and 901 are rejected. One example
is the binary mixture of n-hexacosane + 1,1 -Biphenyl, which is
rejected due to the pure component viscosities.
Level 2: Stability analysis
Step 2.1: The UNIFAC-LLE group representation is obtained for
44 chemicals, and the temperature is set at the ambient temperature and at the operating condition, 100 C.
Step 2.2: The stability test is performed using the STABILITY tool
and the results for 946 binary mixtures are extracted.
Step 2.3: The results for binary, ternary and multi-component
mixtures are analyzed for both temperatures. 58 binary mixtures are partially miscible and 34 of the binary mixtures are
found totally immiscible at one or both temperatures, and
thus they are rejected. For example, mixture of propane-1,2,3triol + n-tetradecanoic acid is partially miscible at the ambient
temperature. However, it is completely immiscible at 100 C.
Therefore, this mixture is not considered in the blend design.
Level 3: Linear constraints
Step 3.1: Using the list of mixtures resulting from Step 2.1,
the blend composition ranges are calculated for all linear target properties: Viscosity and density. The composition ranges are
obtained for binary mixtures.
Step 3.2: Identify the overall composition range for multicomponent (ternary and quaternary) blends. The results of this
step are mixtures with their composition ranges.
Steps 3.1 and 3.2 are combined and solved as a linear optimization problem while the objective functions are to minimize
and maximize the blend composition subject to the linear constraint, Eq. (50), which represents viscosity and density to match
the target values given by Eqs. (40) and (43).
min or max
(49)
s.t.
k
LB
fobj (x)
NC
k
xi ik UB
(50)
i
NC
i=1
xi 1 = 0
(51)
N
N1
N2
N3
N4
Mixture
Ternary
Quaternary
946
60
45
45
14
13,244
1847
1400
1400
966
135,751
30,645
17,427
17,427
5483
x|x Rn , 0 x 1
(52)
(53)
s.t.
n
xvi BIPPi
(54)
BIPPi = PPi
1/0.08
(55)
o B
100 VILB
o 100
(56)
i=1
NC
xi 1 = 0
(57)
i=1
Viscosity
Binary
Ternary
Quaternary
BIB =
Table 10
Comparison of the linear and rigorous viscosity values.
Number of candidates
Binary
(58)
211
-linear
-rigorous
4.12
4.12
4.12
4.4559
4.4547
5.0110
NC
xi Ci
(59)
3.2.3.3. Task 3.3 Rank blend candidates according to a selection criterion. The price of the blend is used as the selection criterion.
Since many blend formulations satised all the constraints, they
are ranked according to the minimum price that is achievable for
the selected purpose. The blends with lowest price for each type of
mixture are given in Table 9.
3.2.4. Task 4: Model-based verication
3.2.4.1. Task 4.1 Validation. The viscosities of blends listed in
Table 8 need further validation because all of them are non-ideal
mixtures. The viscosities of the blends are estimated using a rigorous model and compared with the values estimated using a
linear model. The comparison results are given in Table 10. The
rigorous values are slightly higher than the linear values. Even so,
the mixtures are still acceptable because the values obtained with
the rigorous model are within the target range of 4.1212.5 cSt. It
should also be noted that, in general, viscosity has a wider range of
permissible values.
3.2.5. Product analysis
A mixture with low cost is selected for each type of mixture as
listed in Table 9. The bio-based chemical, propane-1,2,3-triol (GLY)
is present in all blends, while cis-9-Octadecenoic acid (9ODA) is
present in blend 3. It indicates that the consumption of mineral base
Table 9
The base oil blends at minimum price with their estimated property values.
Blend
xi
Cost ($/L)
Properties
Binary
2MT +
GLY
Ternary
3ME +
3ET +
GLY
Quaternary
2MT +
DFE +
GLY +
9ODA
VI
PP
SG
Tf
Vvap
0.56
0.44
7.80
4.12
95
263
0.9790
494
0.0787
0.5447
0.3765
6.88
4.12
101
273
0.9781
565
0.5820
0.0519
0.3561
0.0100
6.63
4.12
108
283
0.9778
566
212
oil can be reduced by replacing it with base oil derived from renewable sources. As the price of bio-based chemicals is currently higher
than mineral based oils, their blends also have higher prices. However, high viscosity indicates good quality of the lubricant, which
is achieved in the blends listed in Table 9.
Acknowledgements
The nancial support for this PhD project, which was funded
by the Malaysian Ministry of Education (MoE) and Universiti
Teknologi Malaysia (UTM), and partially funded by the Qatar
National Research Fund (QNRF), is gratefully acknowledged.
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