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Thermodynamic simulation and

optimization of diesel engines
operating with diesel and biodiesel
blends using experimental data
a b b
Marcelo J. Colaço , Cláudio V. Teixeira & Luciana M. Dutra
a
Department of Mechanical Engineering, Federal University of Rio
de Janeiro, Cid. Universitaria, Cx. Postal: 68503–21941-972, Rio
de Janeiro, RJ, Brazil
b
Department of Mechanical Engineering, Military Institute of
Engineering, Praça General Tibúrcio, 80, SE4–22290-270, Rio de
Janeiro, RJ, Brazil
Available online: 29 Jun 2010
To cite this article: Marcelo J. Colaço, Cláudio V. Teixeira & Luciana M. Dutra (2010):
Thermodynamic simulation and optimization of diesel engines operating with diesel and biodiesel
blends using experimental data, Inverse Problems in Science and Engineering, 18:6, 787-812
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Inverse Problems in Science and Engineering
Vol. 18, No. 6, September 2010, 787–812
Thermodynamic simulation and optimization of diesel engines operating

with diesel and biodiesel blends using experimental data
Marcelo J. Colaçoa*, Cláudio V. Teixeirab and Luciana M. Dutrab
a
Department of Mechanical Engineering, Federal University of Rio de Janeiro,
Cid. Universitaria, Cx. Postal: 68503 – 21941-972, Rio de Janeiro, RJ, Brazil;
b
Department of Mechanical Engineering, Military Institute of Engineering,
Praça General Tibúrcio, 80, SE4 – 22290-270, Rio de Janeiro, RJ, Brazil
(Received 5 January 2010; final version received 8 May 2010)
Internal combustion engines are responsible for most of the pollution encoun-
tered in major urban centres, thereby increasing health problems and the
greenhouse effect. Although they are not a significant source of carbon oxides or
hydrocarbon emissions, diesel engines are responsible for high levels of nitrogen
oxides and particulate matter. One of the ways to reduce the amount of soot in
diesel engines is by using blends of diesel and biodiesel fuel, although this can
increase the amount of nitrogen oxides. Biodiesel’s use in diesel engines has
increased recently and is now readily found in several countries. However, one of
the main problems of biodiesel is its lower heating value, which is lower than that
of diesel. The objective of this study is to simulate the pressure inside a
combustion chamber of a diesel engine operating under several conditions and
using different blends of diesel and biodiesel. The model is based on First Law of
Thermodynamics analysis, and the results are verified against experimental
measurements. An initial approach is presented to optimize the behaviour of such
an engine when operating with different fuels. For this optimization task, a very
accurate response surface model was employed together with a hybrid optimi-
zation algorithm.
Keywords: internal combustion engines; biodiesel; optimization; parameter
identification; response surfaces
Nomenclature
a, b, c constants for the chemical balance equation
a1 . . . a 5 constants for the evaluation of cp
BTDC before top dead centre
Bx diesel with x% of biodiesel
CN cetane number
cp specific heat at constant pressure
cpP specific heat at constant pressure of the products
cpR specific heat at constant pressure of the reactants
EA activation energy
*Corresponding author. Email: colaco@poli.ufrj.br
ISSN 1741–5977 print/ISSN 1741–5985 online

ß 2010 Taylor & Francis
DOI: 10.1080/17415977.2010.492518
http://www.informaworld.com
788 M.J. Colaço et al.
LHV lower heating value

Md shape factor for the diffusive flame
mf mass of the fuel injected
Mp shape factor for the premixed flame
P pressure
Pexp pressure measured experimentally
Psim simulated pressure
Q heat released
Qd energy released during the combustion with diffusive flame
Qp energy released during the combustion with premixed flame
R universal gas constant
T temperature
V volume
Vc maximum volume of the cylinder
Vm mean velocity of the piston
x fraction of mass burned
, parameters of the response surface model
comb efficiency of the combustion
polytropic coefficient
equivalence ratio
crank angle
d duration of the combustion with a diffusive flame
delay delay angle
ig ignition angle
p duration of the combustion with a premixed flame
1. Introduction
Recent advances have been made towards the development of cleaner diesel engines, such
as the use of common rail systems, fuel injection control strategies, exhaust gas
recirculation (EGR), exhaust gas after-treatment, enriched intake of air, etc. [1–3]. It is
worth mentioning that the US Government has made a commitment to increase bioenergy
threefold within approximately 10 years, which has added an impetus to the search for
viable biofuels [1,4]. In addition, the European Union projects that biofuels will replace
5.75% of the market for gasoline and diesel by the end of 2010 [1,4,5]. Similarly, the
Brazilian Government has increased the percentage of biodiesel utilization in the diesel fuel
by 5% this year.
It has been reported in the literature [6–11] that some blends of diesel with vegetable oil
esters have a performance comparable to commercial diesel and lower levels of
hydrocarbon emissions and particulate matter. However, a possible side effect of the
low levels of particulate matter is an increase in nitrogen oxide emissions [9–11], which
could make its use prohibited according to the very strict emissions legislation.
Fortunately, there are some ways to balance the particulate matter and nitrogen oxide
emissions, such as optimizing the injection time variation [9–11], changing the size of the
injection device [9], the use of additives (such as the EHN (2-ethyl hexyl nitrate) [11]) and
Inverse Problems in Science and Engineering 789
pulsate injection [10]. Such alternatives significantly decrease nitrogen oxides emissions
and, in the case of EHN, increase the cetane number (CN) as well.
Increasingly restrictive emissions legislation has promoted the search for optimizing the
current engines, especially when they are to be used with different blends of biofuels. Some
studies have considered the use of thermal barrier coatings, particularly in the combustion
chamber, to simulate adiabatic engines. This could improve the characteristics of exhaust
emissions and the performance of the engines [12–14]. More recent advances focus on the
use of functionally graded materials to reduce the discontinuity in the thermo-physical
properties among the different materials [12]. Some studies have focused on the numerical
optimization of the compression ratio and the start-of-combustion timing in spark-ignition
engines to obtain the lowest fuel consumption accompanied with high power and low
emissions [15]. The optimization of the equivalence ratio, charge pressure, charge
temperature and the start and duration of combustion has also been optimized in a
natural-gas spark-ignition engine for nitrogen oxides reduction [16].
The key factor for the optimization of current engines is the numerical simulation of
the heat conduction processes in the piston and the modelling of the combustion in the
cylinder. Prasad and Samria [14] studied the transient heat transfer in a two-dimensional
aluminium alloy piston of a semi-adiabatic diesel engine, where the boundary conditions
were assumed constant in each boundary. Thus, the cyclic variations of the heat transfer
coefficient and the temperature of the combustion chamber were not taken into account.
To avoid the sharp variation of the thermo-physical properties that could lead to the
failure of the adiabatic coating, Buyukkaya [12] analysed a functionally graded thermal
coating of a three-dimensional steel piston. According to the author [12], few studies have
focused on three-dimensional structural and thermal analyses on a functionally
graded, thermal-coated diesel piston model. Although the model for the piston was
three-dimensional [12], the boundary conditions were also assumed constant for each
boundary and did not take into consideration the cyclic variations that occur in the
combustion chamber. Esfahanian et al. [17] used the NASTRAN code to simulate the heat
transfer in a three-dimensional spark-ignition engine piston coupled with the KIVA-3V to
simulate the boundary conditions in the combustion chamber. Ong [18] and Kojima and
Nishiwaki [13] also performed a CFD analysis of a diesel engine piston. Reitz and
Rutland [19] presented some diesel engine CFD models developed by the University of
Wisconsin’s Energy Research Center and Rakopoulos et al. [20] investigated the cyclic
temperature transients in the combustion chamber walls of a reciprocating internal
combustion engine. A First Law analysis was employed and the results for the cyclic
variations of the temperature were validated against experimental results. The specific heat
of the in-cylinder contents was supposed to vary with the temperature and also with the
composition of the reagents and products during a stoichiometric combustion process.
The heat conduction in the engine piston was not studied. A multi-zone model for the
calculation of the closed cycle of a direct-injection diesel engine was presented by
Rakopoulos et al. [1]. They investigated the formation of pollutants and the application of
their model to vegetable oil (cottonseed) and its derived biodiesel. Whereas this experiment
attained very good results when compared with experimental data, the heat conduction in
the engine piston was not studied. Abu-Nada et al. [21] performed a First Law analysis
of the combustion process in a cylinder of a spark-ignition engine under the effect of
friction [21] and without friction [22,23]. The heat conduction in the engine piston was not
studied and their results were not validated against experimental data. They also
performed a theoretical First Law analysis of a compression-ignition engine [24] with the
same simplifications involved in [21–23]. Abd Alla [25] also performed a First Law analysis
of a spark-ignition engine, but again, no experimental data were used to validate the
model. Arrègle et al. [26] developed a zero-dimensional diesel combustion model to analyse
the effects of the injection rate, the instantaneous values of the in-cylinder air density, the
oxygen concentration and the nozzle diameter on the rate of heat release. Their study
included an experimental validation of the rate of release results. However, the heat
conduction in the engine piston was not studied. Ibrahim and Bari [15] analysed a
natural-gas spark-ignition engine for natural gas usage, where the compression ratio and
the start of combustion were optimized numerically. In their study, they used a two-zone
model, together with sub-models for nitrogen oxide prediction and knocking prediction.
They also analysed the intake and exhaust processes. The model was validated for torque
measurements but did not include the heat conduction in the piston engine. Wu et al.
[27,28] performed an experimental setup and obtained temperature measurements in the
cylinder head of a four-stroke spark-ignition engine. They presented an alternative heat
transfer model, which can be used in the future, as a boundary condition for the analysis of
a heat conduction problem in a spark-ignition piston. According to Wu et al. [27,28],
previous models were developed for large-scale engines, whereas their alternative model is
more suitable for small-scale engines. Kesgin et al. [16] used a two-zone model to simulate
the combustion process in a cylinder of a spark-ignition engine. A computer model was
developed to calculate the amount of nitrogen oxide emissions based on a reaction kinetic.
Its validity was verified by comparing the results with the measurement data. The authors
then optimized several parameters of the engine to increase efficiency and reduce nitrogen
oxide emissions. Hamdan and Khalil [29] used the Diesel-RK commercial code to simulate
a four-stroke compression-engine fuelled with diesel–ethanol and diesel–ether mixtures.
Up to 15% biofuels were used in their analysis, with properties taken from the literature.
The results were not validated against experiments. The authors reported that the engine
attained its highest thermal efficiency when it was powered by a 15% ethanol–diesel blend
and attained its minimum thermal efficiency when it was powered by pure diesel fuel.
Rakopoulos and Giakoumis [30] analysed the operation of an indirect-injection, naturally
aspirated diesel engine under transient conditions resulting from a rapid increase in load.
They presented some innovative features, and their results were compared against
experimental data. The authors included a thermodynamic and dynamic analysis of the
engine, although the heat conduction in the piston was not studied. Ramadhas et al. [31]
performed a First Law analysis of a diesel engine operating on biodiesel obtained from
unrefined rubber seed oil. They analysed blends with 20% of biodiesel and also pure
biodiesel. In their model, the authors [31] varied the air–fuel ratio and the compression
ratio. Some of the results were compared against experimental data for the brake thermal
efficiency with errors up to 20%. The heat conduction in the engine piston was not studied.
The in-cylinder heat transfer has been generally recognized as a major factor
influencing the efficiency of internal combustion engines and their exhaust emissions
[32–34]. Therefore, the analysis of in-cylinder heat transfer is important for fuel economy
and for environmental preservation.
The objective of this study was to simulate the instantaneous pressure variation inside
a diesel engine cylinder when operating with several different blends of diesel and biodiesel
(ranging from 3 to 100%, with the remainder of the volume being pure diesel). Different
engine loads were simulated. The parameters of the models were identified using
experimental measurements obtained by a sensor installed inside a single-cylinder diesel
engine. In this study, the injection fuel time was numerically varied for each blend of the
fuel and each load to maximize the highest pressure of the cycle. Thus, an automatic
procedure could be established to control the engine for several different fuels, similar to
what is used in modern Otto engines (Brazilian flex-fuel engines, which work with any
blend of gasoline and ethanol). In future studies, emissions should also be considered in
this optimization.
In this article, the rate of heat release in the combustion chamber was modelled
through the solution of a double Wiebe’s function analysis [2,3], together with a First Law
analysis. The instantaneous pressure was measured experimentally in a single-cylinder
diesel engine for several blends of diesel and biodiesel, and for different load regimes. The
ignition delay was modelled by using the Hardenberg and Hase [35] model which showed
very good agreement also with experimental measurements. The heat transfer coefficient
to the piston wall in contact with the combustion chamber was modelled using
Eichelberg’s model [36]. Specific heats were supposed to vary with temperature and also
with the composition of the combustion chamber as the combustion process occurred.
To the authors’ best knowledge, the identification of the parameters of a thermodynamic
model of an engine operating with several blends of biodiesel, by using a hybrid optimizer
with a response surface and a measurement of the pressure inside the combustion chamber
of such a cylinder, is original research.
In this study, palm oil biodiesel (called palm diesel) from an esterification process was
utilized. Palm oil represents 10% of the raw material used to manufacture biodiesel in the
world [37]. The palm (Elaeis guineensis) is an African palm which is suitable for tropical
regions with a hot and humid climate and high precipitation that is well-distributed
throughout the year. In a year, the palm is able to produce about 3–6 tonnes of oil per
hectare. Moreover, it has the advantage of being a perennial culture, which means that
there is no interval between harvests. The palm produces fruits during the entire year [38].
This African palm produces two types of oil: palm oil and palm kernel oil. The former is
extracted from the fleshy part of the fruit, and the latter is derived from the fruit kernel.
Palm diesel has higher cetane index compared to all other types of biodiesel derived from
vegetables. Its oxidative stability is four times higher than biodiesel from soya beans, and it
has a higher lubricity than diesel.
2. Experimental setup and fuel properties

The experimental tests described in this study were performed in the Thermal Engines
Laboratory of the Federal University of Rio de Janeiro. A single-cylinder, four-stroke,
diesel engine (Agrale M95), with a displacement volume of 0.744 dm3 and a compression
ratio of 21 was used. The engine was water cooled, and the bore and stroke dimensions
were equal to 95 and 105 mm, respectively. The fuel was injected at a static injection point
of 17C before top dead centre (BTDC). To vary the applied load, an eddy current
dynamometer (Dynam 66DG) was used. The instantaneous pressure inside the cylinder
was measured by an AVL IndimodulÕ . The pressure was measured by a piezoelectric
(b)
(a)
(c) (d)
Figure 1. (a) Piezoelectric sensor, (b) details of the hole drilled in the cylinder head to insert the
piezoelectric sensor, (c) optical encoder to record the angular velocity of the engine and (d) AVL
IndimodulÕ acquisition system.
sensor (Figure 1a) installed inside the top of the engine cylinder (Figure 1b). The signal of
the sensor was amplified and sent to the AVL acquisition system. An optical encoder
(Figure 1c) was used to record the crank angle position and send it to the AVL system
(Figure 1d). The entire system was calibrated previously by an AVL technician.
Table 1 gives the thermo-physical properties of the four different blends that were used.
In this table, B3 represents a fuel with 3% biodiesel (by volume) and 97% diesel. This fuel
was obtained at a commercial gas station located in Rio de Janeiro City during 2008. The
other blends were obtained by adding palm diesel (obtained through the Agropalma
Company) to the commercial diesel. During the mixing process, the original percentage of
biodiesel already contained in the diesel was taken into account. The acidity index was
obtained by the Chemical Department of the Military Institute of Engineering (IME),
whereas the CN was obtained by the Thermal Engines Laboratory of the Federal
Table 1. Fuel specifications.
Results
Properties B3* B20-E B50-E B100-E Method
Specific mass at 20 C (kg m3) 842.7 847.8 856.3 871.9 ASTM D 4052
Kinematic viscosity at 40 C 3.294 3.644 3.830 4.381 ASTM D 445
(mm2 s1)
Sulphur content (wt.%) 412.23 340.63 226.24 6.48 ASTM D 5453
Carbon content (wt.%) 85.84 0.13 83.80 0.20 81.45 0.30 76.98 0.31 ASTM D 5291
Hydrogen content (wt.%) 13.54 0.11 13.80 0.01 13.52 0.06 13.13 0.18 ASTM D 5291
Nitrogen content (wt.%) 0.09 0.04 0.07 0.07 ASTM D 5291
Higher heat value (kcal kg1) 10765 23 10536 1 10144.5 18.5 9460.2 5.0 ASTM D 4809
Lower heat value (kcal kg1) 10068 23 9819.6 0.7 9448.5 18.7 8784.0 5.0 ASTM D 4809
Cetane Numbers 48.8 49.7 56.1 59.3 ASTM D 613-01
Acidity index (mg KOH g1) – – – 1.5 –
Note: *Commercial diesel.
University of Rio de Janeiro (LMT-UFRJ). The other properties were obtained by the
Brazilian National Institute of Technology (INT), as part of this study. All tests were
monitored by the authors of this article.
The most important properties that were used in this study are the lower heating value
(LHV) and the Cetane Number (CN). From Table 1, it is evident that as the percentage of
biodiesel in the mixture increased, the LHV decreased. From this table, the LHV for B3
was 10,068 kcal kg1, whereas for the B100-E, the LHV was 8784 kcal kg1 (13% less than
the commercial diesel). On the other hand, the CN increased as the percentage of biodiesel
in the mixture increased.
The experiments were performed at sea level (i.e. at an atmospheric pressure of
762 mm Hg), with an average ambient temperature close to 300 K and a relative humidity
of 70%. Temperature and humidity were monitored but not controlled during the
experiment.
3. Numerical methodology
The in-cylinder heat transfer has been recognized as a major factor influencing internal
combustion engines’ efficiency and exhaust emissions. Therefore, the analysis of
in-cylinder heat transfer is of importance for fuel economy and for environmental
preservation.
The solution of heat transfer problems in internal combustion engines is very
complicated for different reasons, including the cyclic temperature variation of gases inside
the engine; the parts involved (such as pistons) and their lack of a regular shape; the
fact that such parts are subjected to different heat transfer coefficients (which may vary
during the cycle) from the top, bottom and lateral sides; and the difficulty of estimating
heat transfer coefficients. A review of available theoretical and experimental works on the
subject was presented by Borman and Nishiwaki [32].
In this study, an evaluation of the instantaneous temperature and pressure inside a
cylinder of a diesel engine was performed. The gas inside the cylinder was considered a
perfect gas, with physical properties that were considered to vary with temperature. Other
equations of state could also be used (a cubic equation of state, for instance). In fact,
Lapuerta et al. [39] made a comparison of four different equations of state and found a
difference of up to 34 C between the ideal gas assumption and the best approximation they
considered. Such a difference occurred very close to the temperature peaks. However, as
described by Lapuerta et al., such a deviation is very small (from 1.3% to 2.1% of the
maximum value of the temperature) and is important only for emissions estimations.
Because this study was not concerned with emissions, the ideal gas assumption was a good
approximation. In future studies, however, other equations of state shall be used.
From the equation of state for an ideal gas, together with the First Law of
Thermodynamics, the following equation can be obtained:
dP P dV ð 1Þ dQ
¼ þ , ð1Þ
d V d V d
where P is the pressure, the crank angle, V the instantaneous volume of the cylinder
(which can be obtained from the engine speed and geometrical data), Q the heat released,
and (shown below) is the polytropic coefficient, given as a function of the specific heat at
a constant pressure (cp) and the universal gas constant (R ¼ 8.3143 kJ mol1 K1).
cp
¼ : ð2Þ
cp R
The value of cp was supposed to vary as a function of the instantaneous temperature
inside the cylinder, and the composition of the mixture. The following equations were used
for the calculation of cp [40–45]:

cp ¼ R a1 þ a2 T þ a3 T 2 þ a4 T 3 þ a5 T 4 , for O2 , N2 , CO2 and H2 O, ð3aÞ
" #
T T 2 T 3 T 2
cp ¼ 4:184 a1 þ a2 þ a3 þ a4 þ a5 , for fuels, ð3bÞ
1000 1000 1000 1000
where the values of the constants a1, . . . , a5 are given in Table 2.

As the mixture of the composition varies with the crank angle, the following simplified
chemical equation was considered in this study, by assuming a lean combustion.
Cn Hm OP þ ða O2 þ 3:76a N2 Þ ! b CO2 þ c H2 O þ 3:76a N2 þ ð 1Þða O2 þ 3:76a N2 Þ,
ð4aÞ
where is the equivalence ratio. Note that neither partial combustion nor the formation
of carbon monoxide or nitrogen oxides was considered in this study. In future,
these instances should be considered. For the calculation of cp, it was assumed that
before the fuel injection, the in-cylinder content was only atmospheric air. Once the fuel
was injected, the contents were composed of the reactants of Equation (4a), and after the
Table 2. Constants for the evaluation of cp [40–45].
a1 a2 a3 a4 a5
O2 T51000 K 0.36256 101 0.18782 102 0.70555 105 0.67635 108 0.21556 1011
T41000 K 0.36220 101 0.73618 103 0.19652 106 0.36202 10–10 0.28946 1014
N2 T51000 K 0.36748 101 0.12082 102 0.23240 105 0.63218 109 0.22577 1012
T41000 K 0.28963 101 0.15155 102 0.57235 106 0.99807 1010 0.65224 1014
CO2 T51000 K 0.24008 101 0.87351 102 0.66071 105 0.20022 108 0.63274 1015
T41000 K 0.44608 101 0.30982 102 0.12393 105 0.22740 109 0.15526 1013
H2O T51000 K 0.40701 101 0.11084 10 2
0.41521 105 0.29637 108 0.80702 1012
T41000 K 0.27168 101 0.29451 102 0.80224 106 0.10227 109 0.48472 1014
Diesel 9.1063 246.97 143.74 32.329 0.0518
combustion was finished, the contents were the products of Equation (4a). During the
combustion, a linear relationship was used. In other words, cp was calculated as
cp ¼ xcpP þ ð1 xÞcpR , ð4bÞ

where cpP is the specific heat of the products, cpR the specific heat of the reactants and x
the fraction of mass burned. This fraction of the mass burned was obtained as follows:
8
> 0, if 5 ig ,
>
<
ig
x¼ , if ig 5 5 ig þ p þ d , ð4cÞ
>
> þ d
: p
1, if 4 ig þ p þ d ,
where p is the duration of the combustion with a premixed flame, d the duration of the
combustion with a diffusive flame and ig the ignition angle.
Due to the limited data for the specific heat at constant pressure for the blends of diesel
and biodiesel used in this study, the value of cp for diesel, given by the evaluation of
Equation (3b) with the coefficients of Table 2, was adopted.
For the calculation of the pressure inside the cylinder, as a function of the crank angle,
it was necessary to obtain the value of the heat release rate, as shown in Equation (1).
One of the expressions encountered in the literature uses a double Wiebe’s function
model [46,47], given by
" #
dQ Qp ig ig Mp þ1
¼ 6:9 Mp þ 1 exp 6:9
d p p p
" #
Qd ig ig Md þ1
þ 6:9 ð M d þ 1Þ exp 6:9 , ð5Þ
d d d
where Mp is the shape factor for the premixed flame, Md the shape factor for the diffusive
flame, Qp the energy released during the combustion with a premixed flame and Qd the
energy released during the combustion with a diffusive flame.
The ignition angle was equal to the injection angle (17 C BTDC for the engine
considered) plus the delay angle. In this study, the delay angle was evaluated by using the
Hardenberg and Hase [48] model
" 0:63 #
1 1 21:2
delay ¼ ð0:36 þ 0:22Vm Þ exp EA þ , ð6Þ
RT 17190 P 12:4
where T is the temperature at the start of injection (K), P the pressure at the start of
injection (bar), Vm the mean velocity of the piston (m/s) and R the universal gas constant.
The apparent activation energy (EA) can be obtained by the following equation [48]:
618840
EA ¼ , ð7Þ
CN þ 25
where CN was evaluated experimentally for each mixture used in this study, as presented
in Table 1. The total amount of energy released during the combustion was obtained by
the following equation:
Qd þ Qp ¼ Qtotal ¼ comb mf LHV, ð8Þ
where comb is the efficiency of the combustion (considered to equal 98% in this article),
mf the mass of the fuel injected, Qd and Qp are defined previously and LHV, which was
measured experimentally for each mixture used in this study, as already presented in
Table 1.
4. Response surface methodology

In this article, a hybrid optimizer [49] based on a highly accurate response surface
method [50,51] was used. It included several radial basis functions (RBFs) [52,53] and
polynomials as interpolants to perform a parameter identification of several constants
appearing in Equation (5).
From the viewpoint of kernel interpolation/approximation techniques, many response
surface methods are based on linear and non-linear regressions and other variants of the
least squares technique. This group of mesh-free methods has been successfully applied to
many practical but difficult problems in engineering that are to be solved by the traditional
mesh-based methods.
The very basic idea of the use of response surfaces is to replace the physical model
(which can be very complicated, demand a huge amount of computational resources,
or even not exist) with an approximate one based on the interpolation of some training
points obtained by the original model or by some experimental data. In this study, a
response surface was used, coupled to a hybrid optimization methodology, to identify
several parameters appearing in Equation (5).
One of the most popular mesh-free kernel approximation techniques is one that uses
RBFs. Initially, RBFs were developed for multivariate data and function interpolation.
It was found that RBFs were able to construct an interpolation scheme with favourable
properties, such as high efficiency, good quality and the capability of dealing with
scattered data, especially for higher dimension problems. A convincing comparison [54] of
an RBF-based response surface method and a wavelet-based artificial neural-network

method [55] demonstrated the superiority of RBF-based methods, especially for
high-dimensional response surfaces.
The use of RBFs followed by collocation, a technique first proposed by Kansa [56]
after the work of Hardy [57] on multivariate approximation, is now becoming an
established approach. Various applications to problems in mechanics have been made in
the recent years – see, for example, Leitão [58,59].
Kansa’s method (i.e. asymmetric collocation) starts by building an approximation of
the field of interest from the superposition of RBFs (globally or compactly supported)
conveniently placed at points in the domain and/or at the boundary.
The unknowns (which are the coefficients of each RBF) are obtained from the
approximate enforcement of the boundary conditions and the governing equations by
means of collocation. In the case of interpolation, this is obtained by the enforcement of

the training points. Usually, this approximation only considers regular RBFs, such as the
globally supported multiquadrics or compactly supported Wendland functions [60].
There are several other methods for automatically constructing multidimensional
response surfaces. Notably, a classical book by Lancaster and Salkauskas [61] offered a
variety of methods for fitting hypersurfaces of a relatively small dimensionality. Kaufman
et al. [62] reasonably obtained accurate fits of data by using second-order polynomials.
Ivakhnenko and Madala [63] and their team in the Ukraine have published an exceptionally
robust method for fitting non-smooth data points in multidimensional spaces. Their method
is based on a self-assembly approach where the analytical description of a hypersurface is a
multi-level graph of the type ‘polynomial-of-a-polynomial-of-a-polynomial . . . etc.’, and the
basis functions are very simple polynomials [64]. This approach has been used in Indirect
Optimization Based Upon Self-Organization (IOSO) [65] commercial optimization software
that has been known for its extraordinary speed and robustness.
The response surface used in this study was capable of interpolating linear and highly
non-linear functions in multidimensional spaces having up to 500 dimensions [50].
Consider a function of L variables xi, i ¼ 1, . . . , L. The RBF model used in this study has
the following form:
X
N X M XL
sðxÞ ¼ f ðxÞ ¼ j x xj þ i,k pk ðxi Þ þ 0 , ð9Þ
j¼1 k¼1 i¼1
where x ¼ {x1, . . . , xi, . . . , xL) and f (x) is known for a series of points x. Here, pk(xi) is one
of the M terms of a given basis of polynomials [53]. This approximation is solved for the j
and i,k unknowns from the system of N linear equations, subject to the equations
P
N
j pk ðxi Þ ¼ 0,
j¼1
.. ð10Þ
.
P
N
j pk ðxL Þ ¼ 0,
j¼1
X
N
j ¼ 0: ð11Þ
j¼1
In this study, the polynomial part of Equation (9) was taken as
pk ðxi Þ ¼ xki ð12Þ

and the RBFs were selected from among the following equations.
qffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi
2 ffi
Multiquadrics: xi xj ¼ xi xj þ c2j , ð13Þ
h 2 i
Gaussian: xi xj ¼ exp c2j xi xj , ð14Þ
2
Squared multiquadrics: xi xj ¼ xi xj þ c2j , ð15Þ
qffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi 3
2

Cubical multiquadrics: xi xj ¼ xi xj þ c2j , ð16Þ
where the shape parameter cj was optimized. Such a parameter was used to control the
smoothness of the RBF.
From Equation (9), one can notice that a polynomial of order M was added to the
RBF. M was limited to an upper value of 6. After inspecting Equations (9)–(12), one can
easily check that the final linear system has [(N þ M L) þ 1] equations. Some tests were
made using the cross-product polynomials (xi xj xk . . . ), but the improvements on the
results were irrelevant. Also, other types of RBFs were also used, but no improvement on
the interpolation was observed [50,51].
The choice of which polynomial order and RBF were best for specific function was
made based on a cross-validation procedure. It should be noted that PTR training points,
i.e. the locations on the multidimensional space where the values of the function are
known, were available. Such a set of training points was equally subdivided into two
subsets of points, named PTR1 and PTR2. Equations (9)–(11) were solved for a
polynomial of order zero and for the RBF expression given by Equations (13)–(16) using
the subset PTR1. Then, the value of the interpolated function was checked against the
known value of the function for the subset PTR2 and the error was recorded as
X
PTR2
RMSPTRI, M¼0, RBFI ¼ ½sðxi Þ f ðxi Þ2 : ð17Þ
i¼1
Next, the same procedure was performed using the subset PTR2 to solve
Equations (9)–(11) and the subset PTR1 to calculate the error as
X
PTR1
RMSPTR2, M¼0, RBFI ¼ ½sðxi Þ f ðxi Þ2 : ð18Þ
i¼1
Finally, the total error for the polynomial of order zero and the RBF expression given
by Equations (13)–(16) was obtained as
pffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi
RMSM¼0,RBF1 ¼ RMSPTR1, m¼0, RBF1 þ RMSPTR2, m¼0, RBF1 : ð19Þ
m% of the particles found a minima

Particle swarm Differential
using Boltzmann evolution
probability Improvement of the objective
Non -improvement of
the objective function
BFGS
method
Figure 2. Global procedure for the hybrid optimization method H1.
This procedure was repeated for all polynomial orders, up to M ¼ 6, and for each one
of the RBF expressions given by Equations (13)–(16). The best combination was judged to
be the one that returned the lowest value of the RMS error. Although this cross-validation
procedure was quite simple, it has worked very well for some standard test cases [50,51].
5. Hybrid optimizer
The hybrid optimization methods are not more than a combination of the deterministic
and the evolutionary/stochastic methods, in the sense that they try to use the advantages of
each of these methods. The hybrid optimization method usually employs an evolutionary/
stochastic method to find a region where the global extreme point is located and then
automatically switches to a deterministic method to get to the exact point faster.
One of the possible hybrid optimization methods encountered in the literature [49–51],
called H1 in this article, is illustrated in Figure 2 [49]. The driven module is more often the
particle swarm method, which often performs most of the optimization task. When a
certain per cent of the particles find a minimum, the algorithm switches automatically to
the differential evolution method and the particles are forced to breed. If there is an
improvement in the objective function, the algorithm returns to the particle swarm
method, meaning that some other region is more prone to having a global minimum.
If there is no improvement in the objective function, this can indicate that this region
already contains the global value expected and the algorithm automatically switches to the
Broyden–Fletcher–Goldfarb–Shanno (BFGS) method to find its location more precisely.
In Figure 2, the algorithm returns to the particle swarm method to check if there are no
changes in this location, and the entire procedure repeats itself. After some maximum
number of iterations are performed (e.g. five), the process stops. In the particle swarm
method, the probability test of the simulated annealing is performed to allow the particles
to escape from local minima, although this procedure most often does not make any
noticeable improvement in the method.
In this article, a combination of the H1 method, described above, with the response
surface methodology presented in the previous section was used. The global procedure is
enumerated below [66]:
(1) Generate an initial population, using the real function (not the interpolated one)
f (P). Call this population &real.
(2) Determine the individual that has the minimum value of the objective function
over the entire population &real and call this individual Pbest.
(3) Determine the individual that is most distant from the Pbest over the entire
population &real. Call this individual Pfar.
(4) Generate a response surface with the methodology described previously by using
the entire population &real as training points. Call this function g(P).
(5) Optimize the interpolated function g(P) using the hybrid optimizer H1, defined
previously, and call the optimum variable of the interpolated function Pint. During
the generation of the internal population to be used in the H1 optimizer, consider
the upper and lower bound limits as the minimum and maximum values of the
population &real, to not extrapolate the response surface.
(6) If the real objective function f (Pint) is better than all objective functions of the
population &real, replace Pfar with Pint. Otherwise, generate a new individual, using
the Sobol pseudo-random generator within the upper and lower bounds of the
variables and replace Pfar with this new individual.
(7) If the optimum is achieved, stop the procedure. Otherwise, return to step 2.
From the sequence above, one can notice that the number of times that the real
objective function f (P) is called is very small. Also, from step 6, one can see that the space
of search is reduced during each iteration. When the response surface g(P) is no longer
capable of finding a minimum, a new call to the real function f(P) is made to generate a
new point to be included in the interpolation. Because the time required by the CPU to
calculate the interpolated function is very small, the maximum number of iterations of the
H1 optimizer can be very large (e.g. 1000 iterations).
6. Results
In this study, the instantaneous pressure inside a diesel engine cylinder, operating with
several blends of diesel and biodiesel under different load regimes, was simulated by using
Equation (1), where the polytropic coefficient was supposed to vary with the temperature,
and the composition of the contents of the combustion chamber were given according to
Equations (3 and 4). To perform this simulation, a double Wiebe’s function, Equation (5),
was used, where the parameters Mp, Md, Qp, Qd and p were obtained through an inverse
analysis. The ignition delay was obtained by using Equations (6) and (7), where the CNs
for the blends of diesel and biodiesel used in this study (given in Table 1) were used.
Besides the several blends of fuels used in this study, different loads were applied to the
engine. In all test cases, the engine was subjected to three different speeds (1500, 2000 and
2500 rpm) and two different torques (20 and 30 N m), resulting in a total of six test cases
for each one of the four fuels analysed in this study (performing a total of 24 test cases).
Table 3. Experimental and calculated ignition delay.
B3 B20-E B50-E B100-E
rpm T (N m) delay(exp) delay(calc) delay(exp) delay(calc) delay(exp) delay(calc) delay(exp) delay(calc)
1500 20 91 8.37 8.5 1.5 8.44 8.5 1.5 7.90 81 7.68
30 71 8.37 6.5 1.5 8.44 6.5 1.5 7.90 61 7.68
2000 20 11 1 10.49 10 1 10.59 10 1 9.91 8.5 1.5 9.63
30 91 10.49 8.5 1.5 10.59 81 9.91 7.5 1.5 9.63
2500 20 12 1 12.62 11 2 12.73 12 1 11.92 10 2 11.58
30 10 1 12.62 10.5 1.5 12.73 9.5 1.5 11.92 9.5 1.5 11.58
Initially, the validity of the Hardenber and Hase equation, Equation (6), was analysed
when using mixtures of fuels obtained from fossil sources (diesel) and non-fossil sources
(biodiesel). In this first analysis, Equation (1) was solved until the start of injection, where
no heat release was considered. Then, the delay of ignition was calculated with
Equation (6) and compared with the results obtained experimentally. These results are
presented in Table 3, where the excellent agreement between the experimental and
calculated data is shown. From all the 24 test cases, 14 presented calculated ignition delays
within the measured values; 9 presented an error up to 1 crank angle degree; and only 1 of
them had an error up to 2 crank angle degrees.
From the analysis of Tables 1 and 3, one can verify that as the CN increased, the
ignition delay decreased. For example, for B100-E, which had a CN of 59.3, the ignition
delay was equal to 8 crank angle degrees when the engine was running at 1500 rpm with
20 N m of torque. For the same load, the delay was equal to 9 crank angle degrees when
B3, which had a CN of 48.8, was used. In addition, as the engine speed increased, the
ignition delay also increased. Thus, for example, an engine with 20 N m torque running on
the B3 blend had an ignition delay of 9 crank angle degrees while operating at 1500 rpm
and 12 while operating at 2500 rpm. This was due to the fact that the delay time
(in milliseconds) was approximately constant. However, at higher velocities, the angle
interval was greater for the same time (in milliseconds).
Once the validity of the Hardenberg and Hase equation was validated for biofuels, the
parameters Mp, Md, Qp, Qd and p, appearing in Equation (5), and the fuel consumption
had to be determined. In this study, a parameter identification was performed to obtain
such parameters. Thus, an objective function was defined as
X
þ179 2
RMS ¼ Pexp Psim , ð20Þ
¼179
where Pexp is the pressure measured experimentally and Psim the pressure obtained
through the solution of Equations (1)–(8). A hybrid optimizer [49,66] based on a highly
accurate response surface method [50,51] (described previously) was used to minimize
Equation (20) by varying the parameters Md, Qp, Qd and p, appearing in Equation (5),
and the fuel consumption. The best sets of parameters were the ones that produced a
Table 4. Parameters of Equation (5), obtained by an inverse analysis.
Qp Qd
T p d (Qtotal%) (Qtotal%) mf
rpm (N m) Mp Md (o ) (o ) (MJ kmol1) (MJ kmol1)) (kg h1))
B3
1500 20 1.5333 0.3409 2.1186 65.6048 0.0053 (0.1420) 0.9947 (26.7054) 1.1705
30 5.7693 0.7785 2.0636 47.5701 0.1667 (8.6654) 0.8333 (43.3270) 1.7879
2000 20 1.8110 0.9307 3.6764 43.8326 0.2376 (11.6992) 0.7624 (37.5479) 2.0523
30 1.2431 0.8418 1.2949 46.3502 0.1587 (4.4468) 0.8433 (23.9277) 2.4128
2500 20 2.4008 0.1822 5.2696 66.3787 0.0375 (1.0067) 0.9625 (25.8407) 2.6942
30 0.1433 0.8336 2.2629 44.8835 0.2456 (6.5932) 0.7544 (20.2542) 3.2899
B20-E
1500 20 2.1983 0.4857 2.3679 57.5279 0.0411 (1.0754) 0.9589 (25.1096) 1.2764
30 1.6752 0.7193 4.7185 53.5198 0.1525 (5.7660) 0.8475 (32.0513) 1.8928
2000 20 2.5271 0.8524 2.8141 43.3608 0.2182 (8.1275) 0.7818 (29.1214) 2.0485
30 1.3295 0.8178 1.5541 46.3084 0.1695 (4.5322) 0.8305 (22.2004) 2.5957
2500 20 2.1884 0.7897 2.2700 41.2671 0.2261 (9.4151) 0.7739 (32.2200) 2.7542
30 0.1941 0.8376 3.2555 45.1339 0.2258 (5.9123) 0.7742 (20.2727) 3.3497
B50-E
1500 20 6.0000 0.6067 2.6153 57.4325 0.1100 (4.9304) 0.8900 (39.8735) 1.7329
30 3.7441 0.7462 2.7804 48.5986 0.1112 (6.0635) 0.8888 (48.4791) 1.1929
2000 20 1.7416 0.9281 6.1776 42.0861 0.1768 (7.3065) 0.8232 (34.0197) 2.1069
30 1.1840 0.8116 2.4250 48.3053 0.1708 (5.1768) 0.8292 (25.1261) 2.6656
2500 20 6.0000 0.0673 15.0000 86.2710 0.0628 (1.5810) 0.9372 (23.6144) 2.8329
30 0.2722 0.8019 3.8240 46.4320 0.1949 (5.3411) 0.8051 (22.0640) 3.4412
B100-E
1500 20 5.1479 0.8821 3.1375 45.3223 0.0944 (4.1872) 0.9056 (40.1815) 1.6688
30 1.3299 0.8744 5.3701 46.0466 0.1807 (9.1586) 0.8193 (41.5227) 2.1044
2000 20 1.5810 0.8986 3.9879 45.3642 0.1676 (5.4949) 0.8324 (27.2906) 2.2613
30 1.3238 0.7869 0.7103 48.3738 0.1373 (3.9635) 0.8627 (24.9039) 2.7946
2500 20 6.0000 0.1794 15.0000 66.1263 0.0825 (2.0097) 0.9175 (22.3528) 3.0038
30 3.8465 0.6846 0.4889 49.7366 0.1686 (4.2447) 0.8314 (20.9372) 3.7657
simulated pressure close to the experimental pressure. Note that from Equation (20), this
optimization was performed over 360 crank angle degrees, from 179 to 179. During
this interval, it was assumed that the inlet and exhaust valves were closed. The fuel was
assumed to be injected at 17 BTDC, as determined by the engine specifications.
Table 4 shows the parameters obtained through this inverse analysis, and Figure 3
shows the comparison between the experimental and simulated pressure data, obtained
after the identification of the parameters Mp, Md, Qp, Qd and p, appearing in
Equation (5), and the fuel consumption. In Figure 3, the instantaneous volume of the
cylinder (V) was normalized by its maximum volume (Vc). It can be seen that an excellent
agreement exists between the curves. It is also interesting to note that the start of ignition
(given by the sharp corner of the pressure curve close to the top dead centre) is very
well-captured. In fact, the experimental setup of 2500 rpm at 30 N m torque had the largest
error for the delay of ignition, in Table 3, and the largest deviation for the pressure during
(a) 160 (b) 160 (c) 160
120 120 120

B3 (1500 rpm @ 30 N m)
Current results
P (bar)
P (bar)
B3 (1500 rpm @ 20 N m)
P (bar)
Experimental data B3 (2000 rpm @ 20 N m)
80 Current results 80 80 Current results
Experimental data Experimental data
40 40 40
0 0 0
0.1 1.0 0.1 1.0 0.1 1.0
V/Vc V/Vc V/Vc
(d) 160 (e) 160 (f) 160

120 120 120
B3 (2000 rpm @ 30 N m) B3 (2500 rpm @ 30 N m)

P (bar)
P (bar)
P (bar)
B3 (2500 rpm @ 20 N m)
Current results Current results Current results
80 80 80
Experimental data Experimental data Experimental data
40 40 40
0 0 0
0.1 1.0 0.1 1.0 0.1 1.0
V/Vc V/Vc V/Vc
Figure 3. Comparison between the experimental and simulated pressure curves for B3 operating at
(a) 1500 rpm at 20 N m, (b) 1500 rpm at 30 N m, (c) 2000 rpm at 20 N m, (d) 2000 rpm at 30 N m,
(e) 2500 rpm at 20 N m and (f ) 2500 rpm at 30 N m.
the compression stroke, as shown in Figure 3(f ). Additionally, as the torque increased, the
maximum value for the pressure also increased. The pressure curves with the highest values
for the engine speed were, in general, more unstable, as one can see from an inspection of
Figure 3(e) and (f ). The simulated pressure underestimated the measured value for the
compression stroke when the engine ran at 2500 rpm, although it captured the entire
combustion and expansion strokes.
The other blends (B20-E, B50-E and B100-E) also had very good results and, for this
reason, only the curves for B100-E will be presented next. Figure 4 shows the result of the
pressure variation when pure biodiesel (B100-E) was used. The agreement between the
simulated and measured values of the pressure is evident. It is worth noting that in this
case, the curves suffered from large oscillations close to the maximum value of the pressure
when compared to the ones shown in Figure 3. In fact, during the experiment, the engine
operating with B100-E showed some oscillations, probably due to the fact that the heating
value for B100-E was lower than the one for B3, as shown in Table 1.
Table 5 shows the time average values for the pressure over all 360 of crank angle
for each blend and each load condition analysed in this study. It can be seen that when the
speed and the torque were kept constant, the average values for the pressure were
approximately the same for each mixture. Only in the cases where the speed was low,
a small difference could be seen, up to two bars between B3 and B50-E.
(a) 160 (b) 160 (c) 160
120 120 120

B100-E (1500 rpm @ 30 N m)
B100-E (1500 rpm @ 20 N m)
Current results B100-E (2000 rpm @ 20 N m)
P (bar)
P (bar)
P (bar)
Current results Experimental data Current results
80 80 80
Experimental data Experimental data
40 40 40
0 0 0
0.1 1.0 0.1 1.0 0.1 1.0
V/Vc V/Vc V/Vc
(d) 160 (e) 160 (f) 160

120 120 120

B100-E (2000 rpm @ 30 N m) B100-E (2500 rpm @ 20 N m) B100-E (2500 rpm @ 30 N m)
Current results
P (bar)
Current results
P (bar)
P (bar)
Current results Experimental data

80 Experimental data 80 Experimental data 80
40 40 40
0 0 0
0.1 1.0 0.1 1.0 0.1 1.0
V/Vc V/Vc V/Vc
Figure 4. Comparison between the experimental and simulated pressure curves for B100-E
operating at (a) 1500 rpm at 20 N m, (b) 1500 rpm at 30 N m, (c) 2000 rpm at 20 N m, (d) 2000 rpm at
30 N m, (e) 2500 rpm at 20 N m and (f) 2500 rpm at 30 N m.
Table 5. Average values for the pressure.
P (bar)
1500 rpm 1500 rpm at 2000 rpm at 2000 rpm at 2500 rpm at 2500 rpm at
Fuel at 20 N m 30 N m 20 N m 30 N m 20 N m 30 N m
B3 17.08 19.92 18.47 19.82 18.58 20.44

B20-E 17.46 20.11 18.47 20.28 18.59 20.18
B50-E 19.03 19.82 18.25 20.19 18.44 20.13
B100-E 18.26 20.13 18.32 20.00 18.57 20.44
However, for low speeds, some oscillations during the experiments were observed for high
concentrations of biodiesel.
Once the curves for the pressure were obtained, the values for the instantaneous
temperature for each blend and each engine condition were calculated using the ideal gas
model. As the values for the pressure were approximately the same for all mixtures, the
same behaviour was observed for the mixtures. Thus, only a curve for B3 will be presented.
Figure 5 shows the simulated temperatures at several engine conditions. It can be seen that
the temperature increased when the engine torque also increased, as shown in Figure 5(a)
and (b), for 1500 rpm. In fact, when the torque increased from 20 to 30 N m, the difference
(a) 2000 (b) 2000 (c) 2000

B3 (1500 rpm @ 20 N m)
Simulated B3 (1500 rpm @ 30 N m)
1600 1600 Simulated 1600
1200 1200 1200
T (°C)
T (°C)
T (°C)
800 800 800
400 400 400
0 0 0
–65 –15 35 85 135 –65 –15 35 85 135 –65 –15 35 85 135
q q q
(d) (e) (f)
2000 2000 B3 (2500 rpm @ 30 N m) 2000
B3 (2000 rpm @ 30 N m) Simulated
1600 Simulated 1600 1600
1200 1200 1200

T (°C)
T (°C)
T (°C)
800 800 800
400 400 400
0 0 0
–65 –15 35 85 135 –65 –15 35 85 135 –65 –15 35 85 135
q q q
Figure 5. Simulated temperatures for B3, with the engine operating at (a) 1500 rpm at 20 N m,
(b) 1500 rpm at 30 N m, (c) 2000 rpm at 20 N m, (d) 2000 rpm at 30 N m, (e) 2500 rpm at 20 N m and
(f ) 2500 rpm at 30 N m.
between the maximum values of the temperatures was approximately 400 C due to the
higher quantity of fuel being injected and the higher value of the maximum pressure. When
the speed was increased and the torque was kept constant and equal to 20 N m, a
temperature increase of about 200 C was observed as the speed rose from 1500 to
2000 rpm. A temperature increase of about 100 C was observed when the speed rose from
2000 to 2500 rpm. For the curves with 2000 rpm, when the torque increased from 20 to
30 N m, the rise in temperature was approximately 200 C, whereas for the curves with
2500 rpm, such an increase was approximately 300 C.
Table 6 shows the average temperature values for each blend analysed at various
engine conditions. From this table, it can be verified that when the engine speed was fixed,
the temperature increased when the torque also increased. Thus, for the blend B20-E,
for example, with the engine running at 2000 rpm, the average temperature increased from
554.36 to 654.5 C when the torque increased from 20 to 30 N m. A smaller increase in
temperature was verified when the torque was kept constant and the engine speed was
increased. Thus, for the same blend (B20-E), when the torque was kept constant at 20 N m,
the temperature increased from 554.36 to 575.58 C, when the speed increased from 2000 to
2500 rpm. The same behaviour was observed for the other blends.
It is also worth noting that when the blend was modified for the same speed and
torque, some variations of temperature were observed. Thus, it can be verified that for the
engine operating at 2000 and 30 N m torque, the average temperature was equal to
633.02 C when the blend B3 was used, 654.50 C for B20-E, 648.80 C for B50-E and
Table 6. Average values for the temperature.
T (C)
1500 rpm at 1500 rpm at 2000 rpm at 2000 rpm at 2500 rpm at 2500 rpm at
Fuel 20 N m 30 N m 20 N m 30 N m 20 N m 30 N m
B3 486.24 621.88 560.98 633.02 589.29 672.57

B20-E 502.19 641.77 554.36 654.50 575.58 666.37
B50-E 588.89 622.99 546.18 648.80 587.99 660.75
B100-E 541.09 629.33 550.25 637.96 579.75 673.80
637.96 C for B100-E. Comparing Tables 5 and 6, one can verify an increase in temperature
(with a subsequent fall) when the blend was modified from B3 to B20-E, in agreement with
the values obtained for the pressure. Thus, from Table 4, the average value of the pressure
suffered a small increase when the B20-E blend was used instead of B3. Conversely, the
pressure decreased when B50-E was used instead of B20-E. It can also be seen that
the average value for the pressure for B50-E was higher than for B3. The same was true of
the average temperature.
Once the thermodynamic model was calibrated against several different blends and
various engine conditions, an initial numerical approach (based only on simulations) was
performed to optimize a diesel engine operating with several different blends. Thus, the
possibility to vary the injection angle was analysed in this study to maximize the maximum
pressure of the thermodynamic cycle. It was therefore possible to obtain an optimized
injection procedure for each blend and each speed condition, similar to flex-fuel Otto
engines.
Figures 6 and 7 show the variation of the maximum pressure with the injection angle
for the blends B3 and B100-E, respectively. A strong dependence of Pmax on inj can be
observed. As discussed previously, from the analysis of Tables 1 and 3, the ignition delay
decreased with an increase in the engine speed. Thus, it was expected that, with the
increase of speed, the best injection angle would start to move closer to the top dead
centre. This did in fact happen and can be observed in Figures 6 and 7 where, for example,
the optimum injection angle (B3) was equal to 21 BTDC at 1500 rpm (given a constant
20 N m torque) and 20 BTDC at 2000 and 2500 rpm. For the test case with 30 N m of
torque, the optimum values for the injection angle were equal to 21 BTDC for 1500 and
2000 rpm, and 20 BTDC for 2500 rpm. The average increase in the maximum value of the
pressure varied from 0.9% to 3.2%, when compared to the initial engine condition. For
B100-E, such increase varied from 0.6% to 3.1%.
Table 7 shows the average values for the pressure, when the optimum injection angles
were used. It also presents the percentage of increase in such values, when compared with
the original ones given in Table 5. It can be seen that this procedure, although simple, was
able to increase the average values of the pressure up to 2.21%. Although this seems small,
in the case of a large power generator, this can represent significant savings over a few
years. It is also worth noting that other variables of the engine could be optimized (such as
Figure 6. Variation of maximum pressure for B3 in an engine operating at (a) 1500 rpm at 20 N m,
(b) 1500 rpm at 30 N m, (c) 2000 rpm at 20 N m, (d) 2000 rpm at 30 N m, (e) 2500 rpm at 20 N m and
(f ) 2500 rpm at 30 N m.
Figure 7. Variation of maximum pressure for B100-E in an engine operating at (a) 1500 rpm at
20 N m, (b) 1500 rpm at 30 N m, (c) 2000 rpm at 20 N m, (d) 2000 rpm at 30 N m, (e) 2500 rpm at
20 N m and (f ) 2500 rpm at 30 N m.
the injection pressure, for example), to increase the power of a specific engine even more,
under several fuels and different loading conditions.
Table 8 shows the increase in temperature, when the optimum injection angle was used.
From this table, it can be seen that the maximum increase in temperature was 0.62%.
Thus, no thermal overload was imposed on the engine by performing such an
optimization.
808
Table 7. Average values for the pressure, after the optimization.
P (bar)
Fuel 1500 rpm at 20 N m 1500 rpm at 30 N m 2000 rpm at 20 N m 2000 rpm at 30 N m 2500 rpm at 20 N m 2500 rpm at 30 N m
B3 17.31 (þ1.39%) 20.26 (þ1.71%) 18.60 (þ0.70%) 19.98 (þ0.84%) 18.64 (þ0.31%) 20.54 (þ0.47%)
B20-E 17.70 (þ1.41%) 20.44 (þ1.65%) 18.61 (þ0.74%) 20.50 (þ1.05%) 18.63 (þ0.24%) 20.24 (þ0.32%)
B50-E 19.38 (þ1.85%) 20.20 (þ1.93%) 18.41 (þ0.91%) 20.42 (þ1.14%) 18.53 (þ0.47%) 20.23 (þ0.52%)
B100-E 18.61 (þ1.92%) 20.58 (þ2.21%) 18.52 (þ1.10%) 20.22 (þ1.08%) 18.66 (þ0.52%) 20.54 (þ0.49%)
M.J. Colaço et al.
Table 8. Average values for the temperature, after optimization.
T (oC)
Fuel 1500 rpm at 20 N m 1500 rpm at 30 N m 2000 rpm at 20 N m 2000 rpm at 30 N m 2500 rpm at 20 N m 2500 rpm at 30 N m
B3 488.31 (þ0.42%) 624.89 (þ0.48%) 561.08 (þ0.02%) 635.40 (þ0.38%) 589.99 (þ0.12%) 674.53 (þ0.29%)
B20-E 504.23 (þ0.41%) 644.42 (þ0.41%) 555.79 (þ0.26%) 657.83 (þ0.51%) 575.91 (þ0.06%) 667.07 (þ0.10%)
B50-E 591.37 (þ0.42%) 625.75 (þ0.44%) 547.44 (þ0.23%) 650.90 (þ0.32%) 588.82 (þ0.14%) 661.61 (þ0.13%)
B100-E 543.51 (þ0.45%) 633.24 (þ0.62%) 551.70 (þ0.26%) 638.90 (þ0.15%) 580.55 (þ0.14%) 674.29 (þ0.07%)
7. Conclusions
In this study, a thermodynamic simulation of a single cylinder diesel engine was
performed. The engine was set to operate with several blends of diesel and biodiesel at
various engine speeds and torques. A parameter identification, using experimental data
recorded inside the engine cylinder, was employed to estimate the constants appearing in
the model for the heat release. The results obtained showed good agreement between the
simulated and experimental results for all blends and engine conditions.
An initial approach to optimize the engine operation under several loading conditions
was also performed for various blends of diesel and biodiesel. It was shown that it is
possible to optimize the injection angle to maximize the power of the engine for each
possible condition. In future studies, the influence of the optimization on the engine
emissions should be investigated.
Acknowledgements
The authors express their gratitude to FAPERJ, CNPq, CAPES and the Brazilian Army, which
made this study possible; to Mr Heitor Luz Neto and Mr Álvaro José B. Barreto from INT, which
allowed the monitoring of the tests of fuel physiochemical characteristics at their facilities; to Profs
Carlos R.P. Belchior and Albino J.K. Leiroz, for having permitted the use of facilities at
COPPE/UFRJ to perform the experiments; to Mr Ivanildo M. Souza, Mr Ithamar R. Rangel,
Mr Wilson V. Maior, Mr Pedro P. Pereira and Mr Nauberto R. Pinto for the cooperation and the
technical support of equipment used in the tests; to the Chemistry Department of IME, represented
by Profs Wilma A. Gonzalez and Luiz E.P. Borges, for the support expended by Ms Claudia
R. Machado; to Mr Leonardo F. Saker, from PETROBRAS, and Prof. Helcio R.B. Orlande, from
COPPE/UFRJ, for their help with some parts of the computational routines used in this study; to
CAP Egydio Carvalho for his valuable help during the development of this research; and to
Prof. Leonardo S.B. Alves for providing us with the chemical analysis of the different blends of fuels
used in this study.
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Inverse Problems in Science and

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Thermodynamic simulation and optimization of diesel engines operating

*Corresponding author. Email: colaco@poli.ufrj.br

ISSN 1741–5977 print/ISSN 1741–5985 online

LHV lower heating value

2. Experimental setup and fuel properties

Table 1. Fuel specifications.

Properties B3* B20-E B50-E B100-E Method

Note: *Commercial diesel.

where the values of the constants a1, . . . , a5 are given in Table 2.

Table 2. Constants for the evaluation of cp [40–45].

cp ¼ xcpP þ ð1 xÞcpR , ð4bÞ

4. Response surface methodology

an RBF-based response surface method and a wavelet-based artificial neural-network

means of collocation. In the case of interpolation, this is obtained by the enforcement of

In this study, the polynomial part of Equation (9) was taken as

pk ðxi Þ ¼ xki ð12Þ

m% of the particles found a minima

Figure 2. Global procedure for the hybrid optimization method H1.

Table 3. Experimental and calculated ignition delay.

B3 B20-E B50-E B100-E

rpm T (N m) delay(exp) delay(calc) delay(exp) delay(calc) delay(exp) delay(calc) delay(exp) delay(calc)

Table 4. Parameters of Equation (5), obtained by an inverse analysis.

(a) 160 (b) 160 (c) 160

120 120 120

(d) 160 (e) 160 (f) 160

120 120 120

B3 (2000 rpm @ 30 N m) B3 (2500 rpm @ 30 N m)

(a) 160 (b) 160 (c) 160

120 120 120

(d) 160 (e) 160 (f) 160

120 120 120

Current results Experimental data

Table 5. Average values for the pressure.

B3 17.08 19.92 18.47 19.82 18.58 20.44

(a) 2000 (b) 2000 (c) 2000

1200 1200 1200

400 400 400

1600 Simulated 1600 1600

1200 1200 1200

400 400 400

Table 6. Average values for the temperature.

B3 486.24 621.88 560.98 633.02 589.29 672.57

Table 7. Average values for the pressure, after the optimization.

Table 8. Average values for the temperature, after optimization.

emissions should be investigated.

two-zone combustion model, Fuel 87 (2007), pp. 1824–1834.

Conference, AIAA Paper AIAA-2006-6955, Portsmouth, VA, September 6–8, 2006.

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