Accepted Manuscript

Validation and optimization of thermal cycle of diesel engine using

CFD modelling

Wojciech Tutak , Arkadiusz Jamrozik

PII: S0307-904X(16)30095-6
DOI: 10.1016/j.apm.2016.02.021
Reference: APM 11047

To appear in: Applied Mathematical Modelling

Received date: 30 August 2013

Revised date: 3 February 2016
Accepted date: 18 February 2016

Please cite this article as: Wojciech Tutak , Arkadiusz Jamrozik , Validation and optimization of
thermal cycle of diesel engine using CFD modelling, Applied Mathematical Modelling (2016), doi:
10.1016/j.apm.2016.02.021

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 ACCEPTED MANUSCRIPT
Highlights
Modelling of thermal cycle of turbocharged compression ignition engine,
Angle of fuel injection causes an increase of break thermal efficiency and break mean effective
pressure,
Spatial and time distributions of toxic components in the combustion chamber of IC engine,
Dynamics of soot formation is opposed to NO formation.

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 ACCEPTED MANUSCRIPT

Validation and optimization of thermal cycle of diesel engine using CFD modelling

Wojciech Tutak, Arkadiusz Jamrozik

Czestochowa University of Technology, 42-201 Czestochowa, Poland
tutak@imc.pcz.czest.pl, jamrozik@imc.pcz.czest.pl

Abstract. The paper presents results of CFD modelling of turbocharged diesel engine 1CT107 powered
by diesel fuel. The engine is a part of the power generating set in portable version. During the simulation
tests analysed the impact of ignition timing on thermodynamic parameters and emission of toxic
components. Model of test engine has been verified and then it has been used to optimize the thermal
cycle of the test engine. It turned out that the engine model with acceptable accuracy was suitable for

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emission modelling. At full load the NO emission was equal 2.2 g/kWh which ensured the fulfillment of
EURO IV. With increasing load the emission of soot also increases. This model also confirmed that the

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dynamics of soot formation is opposed to NO formation. In summary, CFD modelling fulfilled its role as
powerful tool to optimize of the internal combustion engine, both in terms of thermodynamic parameters

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and emission. Modelling of the test engine carried out using AVL FIRE.

Keywords. diesel engine, modelling, mesh, combustion

Abbreviations
CA crank angle, deg,
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AN
IVO intake valve opening, deg,
IVC intake valve closing, deg,
EVO exhaust valve opening, deg,
EVC exhaust valve closing, deg,
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BDC bottom dead center, deg,

TDC top dead center,
IMEP indicated mean effective pressure, MPa,
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ITE indicated thermal efficiency, %,

HRR heat release rate, J/deg,
U velocity,
x coordinate.
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t time,
gi specific body force,
k turbulent kinetic energy,
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mf mass fraction,
f elliptic relaxation function,
Pk production of the turbulent kinetic energy,
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T turbulent time scale,

L turbulent length scale,
V cylinder volume,
p cylinder pressure.

Greek:
the corresponding property,
m an internal source per unit mass of heat due to chemical reaction,
A the diffusion flux of heat through the control surface,
fluid density,
ij unit tensor,
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viscosity,
q g heat flux,
instantaneous component,
~
fluctuation component,
C coefficient used as a constant value,
turbulent kinetic energy dissipation rate,
normalized velocity scale,
the ratio of specific heats.

1. Introduction
Compression ignition engine are widely used because of these high thermal efficiency and low CO2
emission. The main negative factor of diesel engine is exhaust emission: nitrogen oxides (NOx) and soot

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or particle matter (PM). Research aimed at reducing the toxicity of engine exhaust are still conducted and
concentrate on the application of high pressure fuel injection systems, turbocharging, exhaust gas

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recirculation or new alternative fuels [1-5].
Researches based on numerical simulations using advanced mathematical models have recently been

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developing very intensively. Engine simulation models are valuable tools for researches and engineers,
with the aim to design engines that comply with the strict emissions legislation while keeping high
performance as well. During the last years, many simulation models for the internal combustion engines
have been developed. These models could be divided in two main categories: the phenomenological and

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the computational fluid dynamic (CFD) ones [6]. The main difficulties in CFD models using as an every
day tool for engine simulations, is the very high computational time needed for engine cycle simulations,
and the high demands of users. In both these fields, much progress has been made during the last decade;
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however, CFD models are by their nature very demanding regarding CPU power [7]. The development of
numerical modelling is heightened by increasing computational power that allows modelling not only
flow processes but also combustion in 3D [8-10]. For this reason, the authors have set themselves the goal
of the attempt to optimize this process. The main criterion was to achieve the greatest compatibility of the
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results with the results of the experiment, on the other hand was to minimize computation time. In the
literature can be find many publications that deal with the modelling of a piston engine. Most of them
closed around modelling only the cylinder without the intake and exhaust ports and valves. The initial
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movement of the charge is imposed artificially [6,11-14]. In order to determine the initial conditions
determining the initial charge motion and the initial level of turbulence intensity it is determined on the
basis of the physical model of the intake stroke [10,15].
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A lot of works carried out using the KIVA [13,16]. The authors also were using this program many years
to modelling of the engine thermal cycle. It may be noted that the meshes, despite the fact that these are
the structural mesh, these are characterized by relatively large mesh cells. This is due to the specificity of
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the program, but rather the pre-processor. It is used primarily to model only the cylinder while the valves
are closed. As is known, in order to obtain results very closely with the experiment of the modelling is
required to adequately dense mesh computing.
Many researchers assumed the arbitrary size of mesh, without any optimization of mesh size, mesh
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density and the impact on performance calculations. There are also who take this the trouble. Paper [17]
shows the results of use of three meshes of different mesh density and its impact on results. The authors
stated that the time of the CPU-based solvers increases linearly with the number of mesh points (ranging
from 1,700 to 14,960 mesh points at engine BDC). They used Tesla C2050 GPU and the calculation was
running on approximately 13 parallel 2.8 GHz CPU. Authors [18] investigated five mesh of different
density used to modelling of HCCI engine. Simulations had been performed by employing various mesh
resolutions in order to assess the mesh independence of the results. The computations of the baseline case
had been carried out by using the above five mesh resolutions and the results in terms of pressure trace
and heat release rate are shown. The results showed a very slight increase in the ignition delay when a
small number of cells was using at TDC, besides higher values of pressure during combustion obtained
by using lower resolution near the walls. These results showed that the pressure trace and the heat release
rate can be adequately obtained by employing a relatively coarse number of mesh points. The same did
not hold for emissions, for which higher resolution of mesh is required [18]. Presented case does not
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include the intake and exhaust valves. Authors [19] presented results of modelling of compression
ignition engine using KIVA code. They used two grids of different densities. The KIVA code predicted
pressure history and pollutant emissions reasonably effectively, as compared to experimental results. In
addition, the mesh-size dependency of calculated results was minimal.
On the other hand in many studies e.g. [20], it showed that the conventional KIVA code exhibits mesh-
size dependency, mainly because of errors in calculating the dropletgas relative velocity.
Some authors used meshes of complete engine, with intake and exhaust manifolds with moving valves.
This forces the creation of a dense mesh respectively. Prasad [21] investigated the influence of swirl
generated during intake stroke on engine parameters. They concerned on the flow field inside of cylinder.
The computational mesh consisted of cylinder and intake port with valves. The computational mesh
consisted of around 190,000 cells at TDC, and 250,000 cells at BDC. Jayashankara and Ganesan [22]
generated mesh for a single cylinder DI diesel engine. Authors used the pre-processor GAMBIT to create
the entire computational domain of the engine including intake and exhaust ports. The commercial

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computational fluid dynamics code STAR-CD used for the solution of governing equations and post
processing the results.

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CFD modelling is often used for determine of exhaust emission of internal combustion engine.
Compression ignition engines are considered as one of the largess contributors to environmental pollution

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caused by exhaust emissions. In recent years many policies imposed to reduce negative effects of diesel
engine emissions. During years many researches have been conducted on diesel exhaust pollutant
emissions and improvement on combustion processes in diesel engines. The researches are carried out
using experimental approach or modelling [23-25]. In order to reduce the exhaust gas toxicity of diesel

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engine is also used alternative fuels [2,26]. Several researchers found a slightly small reduction in NOx
emissions when using biodiesel blends. Diesel engines are responsible for large amounts of NOx because
of high temperature in the oxygen and nitrogen presence in the combustion chamber. The NOx emissions
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decrease with the increase in engine speed because it cause reduction of engine cycle time and in
consequence reduce time of high temperature within the combustion chamber [27]. With the engine load
the NOx emission increased due to higher combustion temperature. Another harmful exhaust component
of diesel engine is carbon monoxide (CO) which emission depends on air-fuel ratio and the engine
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temperature. Carbon monoxide results from the incomplete combustion where the oxidation process does
not occur completely. Diesel engines are lean combustion engines which have a consistently high airfuel
ratio (>1). So, the formation of CO is minimal in diesel engines [28]. The third most important harmful
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component of the emissions of diesel engine is soot.

The paper presents results of CFD modelling of turbocharged diesel engine 1CT107 powered by diesel
fuel. The influence of mesh density and quality is taken into account. The aim of this simulation study
was using to determine optimal parameters of computing domain and validation of the model. Presented
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case is successfully used in Institute of Thermal Machinery of Czestochowa University of Technology to

modelling and optimalization of thermal cycle of CI engine. As a computational tool the Fire program is
used. This program enables the calculation of transport phenomena, mixing, ignition and turbulent
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combustion in internal combustion engine. Homogeneous and inhomogeneous combustion mixtures in

spark ignition and compression ignition engine can be modelled using this software as well. Kinetics of
chemical reactions phenomena is described by combustion models which take oxidation processes in high
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temperature into consideration. Several models apply to auto ignition processes. In fifth models, with
different complication level, are taken an influence of turbulence intensity on combustion rate into
consideration. The choice depends on modelled object or calculation possibilities. User can use several
combustion models e.g. Coherent Flame Model which used authors. There are a few turbulent models,
toxic components of the exhaust formation models with complex fuel spray models and others.

2. Object of investigation

The modelled engine it was turbocharged 6-cylinder diesel engine 6CT107 powered by diesel fuel. The
engine is a part of the power generating set in portable version ANDORIA-MOT 100 kVA/ 80 kW. It was
a test engine which allows to simultaneously indication of all 6 cylinders (Fig. 1). The engine is equipped
with a resistive power loads. For the purpose of this study the three loads used. These are: a full load of
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80 kW and two partial loads - 65 and 58 kW. The 100 successive engine cycles for all six cylinders
registered during researches. The experimental setup is shown as a schematic in Fig. 2.
Measurement system:
- pressure sensor - Kistler 6061 SN 298131, sensitivity: 0.5%,
- measurement computing USB-based 8 channel 16 Bit 50kHz data acquisition device - USB-HS 1608,
non-linearity 0.5 LSB,
- crank angle encoder - Kistler CAM 2612c resolution 1024 pulses/rev, dynamic accuracy at 10000
rpm 0.02 deg,
- charge amplifier Kistler type 5017B multichannel, linearity 0.05 %,
- Exhaust gas analyzer Bosch BEA 350. Measurement range of NO: 0-5000 ppm vol,
resolution < 1 ppm vol.
- Smoke opacity meter. Measurement range: 0-100 %, resolution 0.1 %.

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The main engine parameters are presented in Table.1.
In Fig. 1 is presented view of the test engine equipped with measurement devices. There is presented

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section of the cylinder head where the injector and pressure sensor positions are visible. The visible
combustion chamber shape is implemented into the model. Results of stand tests are used to model

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validation process. On the basis of measurements results determined operating parameters of engine such
as mean indicated pressure and thermal efficiency. This test engine is characterized by low
unrepeatability factor of engine cycles. Therefore, to the model validation used the results of indication of
the first cylinder.

3. The computational code backgrounds US

The AVL CFD solver is based on the Finite Volume approach. The calculation algorithm allows the use
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of unstructured grids consisted from polyhedral calculation volumes. The code allows calculation of
three-dimensional flow in the engine chambers of any geometry including the effects of turbulence and
heat exchange with walls. The model is based on solving the equations of conservation of mass,
momentum, energy and quantities of ingredients, which describe the unsteady, three-dimensional flow
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field of chemical reaction - combustion. These equations are the three-dimensional Navier-Stokes
equations for the compressible fluid mixture. The conservation law (1) can be written as [29]:
D
U j m A
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(1)
Dt t x j x j
where: - the corresponding property, m - an internal source per unit mass of heat due to chemical
reaction, A - in the energy equation it is the diffusion flux of heat through the control surface, in the
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momentum equation it is a force on elementary control surface due to pressure and viscous stresses, -
fluid density, U velocity, x coordinate.
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Momentum Equations (2) - Navier-Stokes equations U i :

DU i U U i p U U j 2 U
i U j g i ij g i i k
ij (2)
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Dt t x j x j xi x j x j xi 3 xk

where: t time, ij unit tensor, gi - the specific body force, - viscosity.

Energy equation (3) H :

U2
H h
2
H H p T

DH


U j

q g ijU j
x


(3)
Dt t xj t xi x j j
where: q g - heat flux,

Concentration Equation (4) C :

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DC C C C
U j r D (4)
Dt t x x x
j j j
Navier-Stokes equations are used to describe the laminar or turbulent motion of a fluid element.
A time history of velocity at a point in a stationary turbulent flow shows irregular, non-repeatable
fluctuations, despite the fact that the average flow rate is constant. The velocity courses are unrepeatable,
irregular and unsteady despite the fact that the average flow velocity can be constant. For these reasons
the statistically averaged equations derived from the principle of Reynolds decomposition are used.
Therefore, the distribution of is decomposed into instantaneous and fluctuations around mean ~:
~
xi ,t xi
~x ,t
i

where: t time, - instantaneous component, ~ - fluctuation component.

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For this study was using the turbulence model k-zeta-f. Model k--f developed by Hanjalic, Popovac and

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Hadziabdic [30,31]. This model is based on eddy-viscosity model based on Durbins elliptic relaxation
concept. The main goal was to improve numerical stability of the component v 2 . The transport equation

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is solving for the velocity scale ratio v 2 / k .
The eddy viscosity is obtained by:
k2
t C

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where: - viscosity, C - coefficient used as a constant value.
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And the three model equations are as follow:
- turbulent kinetic energy (5) k:
k k t k
U j Pk (5)
t x j x j k x j
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- turbulent kinetic energy dissipation rate (6) :

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C 1 Pk C 2 t
U j (6)
t x j T x j k x j
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- normalized velocity scale (7) :

U j f Pk t (7)
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t x j k x j x j

- elliptic relaxation function (8) f:

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f
2
P 2 / 3
L2 f C1 1 C2' k (8)
x j x j T

- production of the turbulent kinetic energy Pk:

U j
Pk ui u j
x
where: T turbulent time scale, L turbulent length scale [24].

Coefficients:
C 0.22 , k 1 , 1.3 , 1.2 , C1 1.41 0.012 / , C 2 1.9 , C1 1.4 , C2' 0.65 , CT 6 ,
CL 0.36 , C 85 .
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The extended coherent flame model (ECFM) was using during the numerical tests [29]. This model is
dedicated to calculate of combustion process in diesel engine and it belongs to group of most advanced
combustion models. This combustion model is very often and readily used by researches [32-34]. ECFM
combustion model with other advanced sub-models it is a very powerful CFD tool for numerical analysis
of thermal cycle of internal combustion engine. The main assumptions of the combustion model is that
oxidation reactions occurs in the relatively thin flame front which is placed between unburned and burned
phase of charge. The combustion zone is divided into 3 parts. The first part forms the diesel fuel, the
second zone is air with fraction of exhaust gases as a result of internal exhaust recirculation and the last
zone is air-fuel mixture. The diesel fuel is represented by a one hydrocarbon C13H23. The oxidation
process of fuel is realized by two-stage mechanism [29]:
m k m
Cn H mOk n O2 nCO2 H 2 0 (9)
4 2 2
n k m

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Cn H mOk O2 nCO H 2 (10)
2 2 2

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where: n, m, k number of the atoms of carbon, hydrogen and oxygen in the fuel, respectively.
C13 H 23 18 ,75O2 13CO2 11,5 H 2 0 (11)

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C13 H 23 11,5O2 13CO 11,5 H 2 (12)
In case of stoichiometric and rich mixtures the reactions of carbon monoxide (CO) and hydrogen (H2)
formation are used. However, if it is considered the combustion of lean or stoichiometric mixture this

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reaction in omitted. In this combustion model transport equations for O2, N2, CO2, CO, H2, H2O, O, H, N,
OH and NO components are solved. The term "burned gases" means the actual combustion products of
the mixture zone consisting of unburned part of fuel and air. The fuel is divided into two parts: the fuel
present in the fresh charge and the fuel present in the exhaust gas. The turbulence model is responsible for
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air-fuel mixture creation. The auto-ignition process is determined on the basis of the empirical
correlation. Ingredients as O2, N2, CO2, H2O, H2, NO, CO are present in the exhaust.
The exhaust gas contains unburned fuel and O2, N2, CO2, H2O, H2, NO, CO. The fuel oxidation occurs in
two stages:
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In conclusion, the hydrocarbon as a fuel is burned according to two stage mechanism:

in the firs step CO and CO2 is formed in the reaction zone,
in the second step CO from first stage is oxidized to CO2.
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4. Mesh optimization
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Fig. 3 shows the three geometries of work space of modelled engine. These geometries next used to
generate the computational mesh of engine. The domain is divided into three separate domains, due to the
elimination of feedback flow through the gaps between the valve seat and valve face. The first domain is
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valid from the beginning of the intake stroke (0 deg of CA) to the intake valve closing time (230 deg of
CA). The second domain is valid during closed valves from 230 deg of CA to 500 deg of CA. The last
domain is valid during the exhaust stroke from 500 deg of CA to 720 deg of CA.
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The computational domains are discretized using meshes with several different densities. The
computations of the baseline case have been carried out by using the four mesh densities. Exact data on
the number of computational cells in the analyzed meshes are given in the Table 2.
The numerical computations conducted using PC computer with Windows operating system. The main
parameters of the computer: Intel Core i5-2400CPU, 3.1GHz, 4GB RAM, 64-bit operating system.

Simulations performed by employing various mesh resolutions in order to assess the mesh independence
of the results. Mesh No. 1 generated with a minimum cell size equal 1.5 mm and maximal cell size 4 mm.
In the following analyzed cases, densification of mesh made in order to obtain above mentioned
independence modelling results of the mesh density. In addition, the obtained modelling results compared
with the results of the experiment.
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Fig. 4 shows the four analyzed meshes at the 65 deg after TDC of piston position. It is the engine period
in which the valves are closed, therefore the intake or exhaust manifolds are not visible. In the last
column of Table 2 the time of calculation is presented. It can be stated that extend more than four times
the computing time with the densest mesh (No. 4) with very small changes in obtained results was not
advisable.

In Fig. 5 the optimal mesh is visible. It can be seen three domains, the first of the intake stroke, the
second for the compression and work part of cycle and the last to the exhaust stroke. The changing of the
computational mesh resolution of used domains has an effect on the value of the average pressure and
heat release rate as well. Heat release rate (HRR) was calculated from the measured in-cylinder pressure
data and crank angle readings. The basis of determining the heat release rate was the first law of
thermodynamics and the equation of state. After rearranging and simplifications, the heat release rate vs.
crank angle is obtained in well-known form as follows:

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1 dV dp
HRR p V (13)
1 d d

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where: the ratio of specific heats, V cylinder volume, p cylinder pressure.
Instantaneous cylinder volume V determined on the basis of the engine geometry.

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As a result of the mesh densification, and thus the amount of the calculated cell growth, this causes the
increase in the maximum value of pressure and maximum value of the heat release rate (Fig. 6). In

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addition, the modelled courses were approaching the course achieved in the real engine. Of course, with
the densification of computing mesh time of calculation increased (Table 2).
For the mesh marked with number 3, there already obtained satisfactory convergence of the modelling
results with the experiment. In order to ensure the absence of influence of mesh density on the obtained
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results, the mesh of higher density used. There have not been significant changes in the results of
modelling in comparison with results obtained on the basis of mesh marked with number 3. However, the
computation time increased significantly. It was finally concluded that the mesh numbered 3 is optimal
for the modelled test engine. The calculations provide the required accuracy of the modelling results with
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results taken from the experiment while the computation time was acceptable.
During the movement of the piston toward BDC progressively increased the number of cells (Table 2).
The optimal mesh consisted of minimal cells size 0.5 mm and maximal cells size 2 mm. Further
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densification of mesh did not result in significant changes in the results but the computation time
drastically rise.
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5. The results of model validation

The 6CT107 turbocharged compression ignition engine is an issue of interest to researchers of the
Institute of Thermal Machinery of Czestochowa University of Technology for a few years [35]. This
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engine is equipped with a pressure sensor in each cylinder. It is also equipped with pressure sensors in the
intake manifold and the exhaust, and a number of temperature sensors. This engine is also used to
investigate co-firing of the gas generator with diesel fuel [26]. The study of the phenomena occurring in
this engine allows for better use of its potentiality, to improve performance and efficiency of the engine.
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The thermal cycle modelling of the test engine carried out for three, consistent with the experiment, load:
80, 65 and 58 kW. The calculations started at TDC at the beginning of intake stroke, proceed through the
total cycle of 720 degrees and finished at the end of engine exhaust stroke. Initial parameters taken from
experiment. Reciprocating engine as a cyclic working machine, the conditions of the end of one cycle are
in partially also the initial conditions of the next cycle. Some of initial parameters were difficulty to
measure on real engine, that there were taken form the end of calculated cycle, e.g. initial turbulence
kinetic energy and dissipation of turbulence.
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The initial temperature of modelled engine cylinder, valves and intake and exhaust ports have been
adopted on basis of literature data [36]. These data are presented in Table 3.
Table 4 presents the submodels which were using during modelling in the Fire program.
The injection profile taken form experiment. The injection profile of diesel fuel injection is based on the
observation of the pressure in the high pressure part of injection system. It is estimated on the basis of
researches of similar engine injection system where was recorded injection pressure during tests. Injection
timing and injection profile is created on the basis of these data (Fig. 7). During the investigation shape
the injection profile was equals the same and the difference were not significant, therefore during the
modelling used the same shape for all loads while changing injection time. The angle of injection duration
was 20 deg at full load equal to 80 kW, 17 deg at 65 kW and 15 deg at 58 kW.

Results of model validation are presented in Fig. 8. To model validation used the courses of pressure from
real test engine. As additional parameters the courses of the pressure rise and heat release rate taken as

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well. As mentioned, the real research engine was the 6-cylinder engine the indication process carried out
simultaneously for all cylinders. To validation model used the average courses from one cylinder, as

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representative of the whole engine. It should be noted that the engine worked very evenly, and the
pressure in the following cylinders were very close to each other. Diesel engine model of the AVL Fire

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software, pretty accurately reflects the real processes in the compression ignition engine. The satisfactory
qualitative and quantitative agreement between the pressure courses achieved. For the pressure rise and
the heat release rate the quite good agreement achieved as well. The differences between the results of
modelling and the experiment were as follows: 5 to 10% in the case of the maximum pressure value, from

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8 to 14% for the maximum rate of pressure rise and from 6 to 10% for the maximum value of the heat
release rate. Analyzing the results of modelling and experimental studies should be mentioned that the
results of indication of IC engine, in particular, the results of the analysis of thermal processes taking
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place in the cylinder are subject to some error resulting from the measurement accuracy and these are
dependent on the uncertainty of the result.

During the validation process, in the authors opinions, obtained the correct results of model validation
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(Fig. 8). Generally, the higher values of peak pressure obtained by modelling.
The results of the pressure increases indicate the hardness of the engine work. The maximal values of
dp/d do not excite 0.6 MPa/deg that are acceptable for diesel engine.
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The first peak on the HRR course is associated with the premixed combustion phase and the second one
the diffusion phase, respectively. Both experimentally and by modelling obtained a similar character
changes in the rate of heat release. With the increase of engine load the increase in the diffusion phase of
combustion noticed. The kinetic combustion phase has been decreasing with load increasing. Then this
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has an impact on the dynamics of the toxic exhaust formation in the cylinder of engine.
The main parameters which used to characterization of thermal cycle of the internal combustion engine
are: indicated thermal efficiency ITE and indicated mean effective pressure IMEP.
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In Fig. 9 the IMEP and ITE comparison of experimental and modelling results are presented. And in this
case higher values of these parameters obtained. The highest difference in indicated mean effective
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pressure noticed at load equal to 59 kW and it was 0.08 MPa. In case of ITE the highest difference
noticed at full load of engine and it was near to 2%. In case of experiment and simulation these
parameters are calculated is the same method in both cases.

6. Optimization process of the test engine

Such validated model used to optimize the thermal cycle of compression ignition test engine. The engine
is running at angle of injection 9 deg before TDC. In order to improve its performance it examined
whether it would be possible to improve its performance.
As shows Fig. 10 the advance injection time causes the increase in peak pressure. At the angle of 9 deg
before TDC the peak pressure was equal to 10.7 MPa and is achieved at 10 deg after TDC. After
optimization of thermal cycle the peak pressure was equal to 11.7 MPa and achieved at 7 deg after TDC.
Changing the angle of injection affects the temperature in the combustion chamber. The temperature
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value increase, however, it is disadvantageous because of the NOx emission but should be favorable for
soot emission. The higher combustion temperature causes higher thermal load of engine.
As shown in Fig. 11 increasing the injection angle of 3 deg (from 9 deg to 12 deg before TDC) causes
improving both indicated thermal efficiency ITE and indicated mean effective pressure IMEP. It turned
out that the optimal angle of injection is 12 deg before TDC. Changing the angle of injection causes the
increase of both indicated thermal efficiency and indicated mean effective pressure. Modelling has the
additional great advantage that it can identify the processes occurring in the engine cylinder, and then in
the combustion chamber.

In Fig. 12 are presented the cross sections of the cylinder during the intake stroke at full load of engine.
On the basis of these sections the intake process phenomena can be evaluated. There are visible the
vortices which are formed during filling of the cylinder with air.
Flow velocity of air which flowing through the inlet and outlet channels has a significant impact on the

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cylinder volumetric efficiency. During the intake stroke the maximum velocity is observed in the gap
between valve and valve seat. The process of filling the cylinder accompanies the formation of vortices.

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In Fig. 11 the process of tumble vortices generation is visible. CFD modelling gives a lot of knowledge
on the flow processes taking places during intake and compression stokes, of the charge motion inside of

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cylinder and combustion chamber. As shows the experience of the author, flow processes in the
combustion chamber of a piston engine are very difficult issues for the experimental study and yet very
important for the operation of the engine [37]. Numerical modeling allows to get this knowledge in the
easier way and much cheaper.

7. Emissions of toxic components in the IC engine US

For diesel engine emission is characterized by nitrogen oxides (NOx) and soot emission. The NOx
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formation rate has a strong relationship to temperature. High temperature in the combustion chamber of
IC engine during relatively short phase of premixed combustion is characterized by high NOx formation
rate. The NOx formation can be reduced by decreasing the premixed burning rate using fuel injection
strategy. It is one way to decrease the high peak temperature in the combustion chamber which cause
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lower rate of NOx formation. On the other hand the decrease temperature in the combustion chamber
causes lower thermal efficiency of IC engine. As is well known, the engine reaches its highest efficiency
close to the knock limit, when there is also the high temperature. Further, it is difficult to reconcile the
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reduction of NOx emissions with a reduction in soot emissions. Technology applied in the diesel engines
which decreased NOx emission simultaneously increased soot emission. Emission of NOx is combined
with premixed phase of combustion process but the soot emission is combined with diffusion phase. A
proper control of these two phases of combustion can leads to low emission of NOx and soot. In case of
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supercharged engines more intake air is delivered to cylinder of IC engine, which can leads to burn of
lean air-fuel mixtures to reduce NOx emission and soot emission simultaneously. The proper swirl ratio
can lead to improve combustion process which can have a positive impact on emissions.
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7.1. NO modelling
The time scales for NO reactions is larger than the time scales for the turbulent mixing process and the
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heat release reactions. Generally, the two mechanisms are responsible for nitric oxides production. First is
thermal NO mechanism and second prompt NO.
Thermal NO formation. In internal combustion engines, during the combustion process the cylinder
pressure rise which cause compression of burnt gases after flame front and it cause high values of
temperature. The thermal NO formation in burnt gases is faster then in the flame front and represents the
main source of nitric oxides in the IC engine [38-40]. The thermal mechanism of NO formation is
described by a many of highly temperature-dependent chemical reactions well known as the extended
Zeldovich mechanism. The principal reactions governing the formation of thermal NO from molecular
nitrogen are as follows:
k f 1 ,k r 1
O N 2 N NO (14)
k f 2 ,kr 2
N O2 O NO (15)
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k f 3 ,kr 3
N OH H NO (16)

where, kf are expressions for the rate coefficient for reaction (Hanson and Saliman).

The first two reactions are proposed by Zeldowich and latter this mechanism was extended by including
last reaction. The last reaction is responsible for NO formation at near stoichiometric and reach mixtures
conditions. The N atoms are oxidized to NO mainly by hydrogen radicals [36,41].
k f 1 7.6 10 13 e( 38000/ T ) k r 1 1.6 10 13 (17)
k f 2 6.4 10 9 T e ( 3150/ T kr 2 1.5 10 9 T e( 19500/ T ) (18)
k f 2 4.1 10 13 k r 3 2.0 10 14 e( 23650/ T ) (19)

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The expressions with f index are the reaction constants for the forward reactions and with r for reverse
rate constants.

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The net of NO formation is described as follows:
d NO
k f 1 ON 2 k f 2 N O2 k f 3 N OH k r 1 NON k r 2 NOO k r 3 NOH , (20)

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dt
where concentrations are in mol/m3.

Formation of NO is strong dependent on temperature but independent of fuel type. In the temperature

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over 2200 K the production rate of NO is doubled for every 90 K.
In conclusion, the thermal mechanism of NO formation is strongly dependent on temperature, oxygen
concentration and residence time.
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To destroy the stable bond of the molecular air-nitrogen the high value of activation energy is necessary,
that is a high temperature is required therefore, it is a thermal mechanism.
Generally, the thermal nitric oxide formation is determined by few chemical species: O, H, OH, N, O2
[41].
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The prompt mechanism of NO formation is most prevalent in rich flames [38,40,41]. For NO
production during combustion process are responsible many reactions and many possible intermediate
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species. The prompt mechanism of NO formation is important at low temperatures (below 1000 K) and at
reach mixtures. This mechanism is initiated during hydrocarbon combustion at the flame front where
there is a recombination of CH radical and N2 into HCN. Consequently, the nitrogen oxidizes to NO.
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Further, reaction of HCN with free radical OH creates CN which is further oxidized to NO. The route
now accepted is as follows:
CH N 2 HCN N (21)
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N O2 NO O (22)
HCN OH CN H 2O (23)
CN O2 NO CO (24)
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A number of species resulting from fuel fragmentation have been suggested as the source of prompt NO
in hydrocarbon flames (e.g. CH, CH2, C, C2H), but the major contribution is from CH and CH2, via
CH 2 N 2 HCN NH (25)
The products of these reactions could lead to formation of amines and cyano compounds that
subsequently react to form NO by reactions similar to those occurring in oxidation of fuel nitrogen, for
example:
HCN N N 2 .... (26)
Prompt mechanism of NO formation is proportional to numbers of carbon atoms and it is independent of
the type of fuel. The amount of HCN formed increases with the concentration of CH radicals. As the
equivalence ratio is decreasing, prompt NO production increases. At the beginning of flame propagation,
where the prompt NO is formed under the reach mixtures, the oxygen concentration is high and the
nitrogen radical forms NO rather than nitrogen.
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In Fig. 13 the NO emission as a function of angle of injection start is presented. In this figure the results
of measurements of NOx emission are presented as well. It has a NOx emission measurement results for
the angle of the beginning of diesel injection 9 deg before TDC which is recommended by the
manufacturer of this engine. NOx emissions have been measured directly at the test engine and emission
values were very close obtained by modelling. The experimental results were higher than those obtained
by modelling. According to the engine documentation that meets the EURO IV emission standard, so
NOx emissions should not exceed 3,5 g/kWh [42]. This was confirmed by both the results of the test and
simulation. Additionally our simulation results were compared with experimental results obtained by
other researches [43,44]. On the basis of simulation results it can be state that advancing of injection of
diesel fuel cause an increase in nitrogen oxides emission. This is due to changes of thermodynamic
parameters of the medium in the engine cylinder, which are favor to the formation of nitrogen oxides. At
the 9 deg before TDC and full load the NO emission was equal 2.2 g/kWh. At the optimal conditions,
injection time 12 deg after TDC, the NO emission increased by over 25%. For partial loads noted a

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similar trend.

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7.2. Soot formation
In diesel engines there are conditions of high temperature and reach fuel mixture zones causes strong

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tendency to soot form (carbon particles). In the combustion chamber of engine most of soot formed in
first stages of combustion in subsequent phases of combustion is oxidized. Soot formation process is
more complex and involved chemical and physical processes, formation of aromatic hydrocarbons which
are then converted into particles. Soot particle being in the combustion chamber absorbs other gaseous

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substances. In the ideal conditions as a result of CnHmOk combustion CO2 and H2O is obtained. During
the soot formation process the local air/fuel ratio, temperature, pressure and residence time is crucial.
Theoretically soot is not produced if there is one oxygen atom available for each carbon atom. The soot
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formation process starts when C/O ratio is less than 1. For small ratio of C/O the concentration of radicals
OH and O are increased which involve high oxidation rate. For the soot formation process limiting
temperature is 1600 K, below this temperature the formation of soot takes place intensively, whereas
above this temperature intensifies its oxidation [45]. It is also assumed that the temperature drop below
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773-873 K stops the burning of soot, although there is great amount of concentration of oxygen.
Smoke opacity - is due to the presence of particulate matter (soot) and other components. At 100-300 soot
content (mg/m3) smoke opacity becomes visible. Black smoke occurs at a concentration of approx. 500
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(mg/m3). During the computation the Lund Flamelet Model was used to calculate of soot emission.
This model calculates the soot volume fraction source terms, integrated over the probability density
function of the mixture fraction, as a function of the scalar dissipation rate, pressure and temperature on
the oxidizer side [41]. During the calculation is considered surface growth, oxidation, particle inception
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and fragmentation are considered.

In Fig. 13 the soot emission as a function of angle of injection is presented. With increasing of injection
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time the soot emission was decreasing. From the angle of 12 deg before TDC further increase in the angle
of the beginning of the injection did not significantly affect the reduction of soot emissions. At crank
angles of injection start close to TDC the thermodynamic parameters of the charge favored the soot
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formation. This reduces the time for post-combustion of soot after the first phase of combustion.
Additional the range of maximal temperature is lower.

In Fig. 15 the interdependence of NO and soot emission is shown. Ellipse marked values of emissions for
engine operated on factor settings. The dynamics of soot formation is opposed NO formation. Therefore,
it is difficult to reconcile these two negative phenomena for the diesel engine. The test engine fulfills
requirements of EURO IV emission standard that for 9 deg bTDC of injection timing, the NO emission
was equal to 2.13 g/kWh and soot emission was near to 0.12 g/kWh.
For the angle of injection start higher than 13 deg before TDC the significant increase NO emission was
observed while reduction of soot emission was rather slight. At the injection angle close to TDC the
change in injection timing cause changes in soot emission, while NO emission does not change
significantly.
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The modelling results of exhaust emission of test engine were partially verified by comparison with
experimental results obtained by Kalina [43,44] and engine technical documentation.
The used measuring equipment which was used during researches not allow for direct measurement of
soot emissions. It was possible measure only the opacity of exhaust, which is expressed in %. Changes in
the smoke were similar dynamics as the resultant of soot emissions from simulation, but these two
parameters can not be compared directly. The simulation results are comparable to those obtained
experimentally in [43]

Fig. 16 shows cross sections of combustion chamber during flame propagation. Analyzing the
temperature distribution in the spatiotemporal sections of the combustion chamber, it can be seen that the
optimal angle of injection equal to 12 deg before TDC cause combustion process intensification, a flame
front in the shortest time covers the volume of the combustion chamber. Under these conditions, the
maximum value of combustion pressure is close to the TDC, so that the maximum values of IMEP and

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ITE are reached (Fig. 10). No symmetry distributions presented in Fig. 16 is due to the fact that fuel
injection system is realized by the 3-pinhole injector. From the drawings can be seen that the NOx is

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formed where the high temperature and excess air occur simultaneously. In the case of soot emissions, to
the creation of excess fuel is required at a relatively low temperature which is visible in Fig. 16. As

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mentioned, the soot formed in first step of combustion in the combustion chamber is oxidized during the
post-combustion phase. At full load the instantaneous maximum value of soot concentration was noticed
near to 40 deg after TDC and then the concentration was decreased to the mean values presented in Fig.
13.

8. Conclusions US
Results from numerical simulations of compression ignition engine are presented in the paper. There are
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presented results of computational mesh optimisation as well. After the optimization of mesh the
independence of the results of the mesh density was obtained. In the optimization process used local and
temporary densification of the mesh. Temporal and spatial distributions of temperature, flow field or toxic
components in-cylinder of the test engine are shown. Numerical modelling provides information that is
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very difficult to obtain experimentally. After verification of the model it is used optimization the thermal
cycle of the test engine.
It turned out that the change in engine factory settings may benefit. It is preferred that the injection angle
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in advance than 9 deg before TDC cause increase ITE and IMEP. At an angle of 9 deg before TDC the
peak pressure was equal to 10.7 MPa and was achieved at 10 deg after TDC. After optimization of
thermal cycle the peak pressure was equal to 11.7 MPa and was achieved at 7 deg after TDC. Although
the increase in the injection timing value of these parameters an increase is small, but in power industry is
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necessary to look for every increase in fuel efficiency. For this reason, it is preferable to operate the
engine at an angle of injection 12 deg before TDC. It was analyzed pressure, temperature and heat release
rate traces. It turned out that the engine model with acceptable accuracy was suitable for modelling
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emissions. At factory injection angle full load the NOx emission was equal 2.2 g/kWh which ensured the
fulfillment of EURO IV. At the optimal conditions for efficiency the NO emission increased by over
25%. With load increase the emission of soot also increases. This model also confirmed that the dynamics
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of soot formation is opposed NOx formation. In summary, CFD modeling has fulfilled its role as powerful
tool to optimize of the IC, both in terms of thermodynamic parameters and emissions.

Acknowledgements
The authors would like to express their gratitude to AVL LIST GmbH for Providing a AVL Fire software
under the University Partnership Program.

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Table 1. The main parameters of the engine
Parameters value
displacement 6.54 dm3
rotational speed 1500 rpm
crank throw 60.325 mm
cylinder bore 107.19 mm
connecting-rod length 245 mm
compression ratio 16.5 -
intake valve opening (IVO) 104o before TDC deg
intake valve closure (IVC) 504o after BDC deg
exhaust valve opening (EVO) 464o before BDC deg

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exhaust valve closure (EVC) 144o after TDC deg

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injection angle 9o1.5o deg

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Table 2. Numbers of cells of analyzed domains and time of simulation

Cell
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Number dimension Number of Number of Number of Calculation time

of mesh Min. Max. cells before IVC cells at TDC cells after [min]
[mm] [mm] EVO
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1 1.5 4 41399 18206 45318 614

2 1 3 97843 37468 98567 973
3 0.5 2 318907 231633 319347 2200
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4 0.25 1 1580256 652751 1621228 9242

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Table 3. The initial and boundary conditions

Parameters Value
load 80 kW 65 kW 58 kW
initial pressure 0.164 MPa 0.147 MPa 0.127 MPa
initial temperature 317 K 313 K 314 K
cylinder wall temp. 470 K 455 K 450 K
cylinder head temp. 470 K 455 K 450 K
piston surface temp. 530 K 515 K 510 K
injection angle -9 deg before TDC (variable)
fuel temperature 330 K
2 2
tke, m /s 46.8 48.7 50.8
dissipation of tke, m3/s2 54519 57375 59913

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Table 4. Used submodels
Model Name
combustion model
turbulence model
NO formation model
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k-zeta-f
Extended Zeldovich Model
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soot formation model Lund Flamelet Model
evaporation model Dukowicz
breakup model Wave
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a) b)

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Fig. 1. The view of test engine 6CT107 (a) and the cross section of the combustion chamber (b)

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Fig. 2. Diagram of the experimental setup, 1 electric generator, 2 set of pressure sensors, 3
amplifier, 4 USB A/C module, 5 PC computer, 6 crank angle sensor

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a) intake
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b) compression c) exhaust
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Fig. 3. View the shape of engine components, a) intake system (EVC), b) combustion chamber, c)
exhaust system (IVC)
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Mesh no. 1 Mesh no. 2 Mesh no. 3 Mesh no. 4

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Fig. 4. A detail of the computational meshes at 65deg after TDC

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65 deg after TDC 65 deg after TDC 65 deg before TDC

(intake stroke) (work stroke) (exhaust stroke)
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Fig. 5. The optimal mesh for the modelled test engine

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a) b)
12 150
mesh no. 1
mesh no. 2
10 100
mesh no. 3
pressure, MPa

HRR, J/deg
mesh no. 4

8 50
experiment
mesh no. 1
mesh no. 2
6 0
mesh no. 3

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mesh no. 4
-50
4

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330 340 350 360 370 380 390
350 360 370 380 390
crank angle, deg crank angle, deg

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Fig. 6. Baseline case: average pressure (a) and heat release rate (b) versus crank angle for different
numerical resolutions

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50

1.0
40
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injection profile

30

20
0.5
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10

0
0.0
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345 355 365 375

crank angle, deg

Fig. 7. Injection profile

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Full load - 80 kW
12 150 0,6
load 80 kW modelling load 80 kW modelling load 80 kW modelling
10 IT 9 deg before TDC experiment IT 9 deg before TDC experiment 0,4 IT 9 deg before TDC experiment
100

dp/d, MPa/deg
pressure, MPa

HRR, J/deg
8
0,2
6 50
0
4
0
2 -0,2

0 -50 -0,4
180 270 360 450 540 330 340 350 360 370 380 390 330 340 350 360 370 380 390
crank angle, deg crank angle, deg crank angle, deg

Partial load - 65 KW
12 150
load 65 kW 0,6
load 65 kW experiment modelling load 65 kW
10 IT 9 deg before TDC modelling
IT 9 deg before TDC modelling experiment IT 9 deg before TDC

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100 0,4 experiment
pressure, MPa

dp/d, MPa/deg
HRR, J/deg

8
0,2
6 50

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0
4
0
2 -0,2

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0 -50 -0,4
180 270 360 450 540 330 340 350 360 370 380 390 330 340 350 360 370 380 390
crank angle, deg crank angle, deg crank angle, deg

Partial load - 58 KW
12 150 0,6
10
load 58 kW
IT 9 deg before TDC
modelling
experiment
100
load 58 kW

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IT 9 deg before TDC
modelling
experiment

dp/d, MPa/deg
0,4
load 58 kW
IT 9 deg before TDC
modelling
eksperiment
pressure, MPa

HRR, J/deg

8
0,2
6 50
0
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4
0
-0,2
2

0 -50 -0,4
180 270 360 450 540 330 340 350 360 370 380 390 330 340 350 360 370 380 390
crank angle, deg crank angle, deg crank angle, deg
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Fig. 8. Comparison results of modelling and experiment for 6 cylinders of pressure, heat release rate
HRR and rate of pressure rise - dp/d for three loads
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50 1,5
experiment experiment
modeling modelling
45
1

IMEP, MPa
ITE, %

40

0,5
35

30 0
80 65 58 80 65 58
load, kW load, kW

Fig. 9. Indicated pressure and efficiency for experiment and modelling at three analyzed loads

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14

12
-7 deg
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2000
-7 deg
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-9 deg 1800 -9 deg
10
pressure, MPa

1600
8 -11 deg -11 deg
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1400
6 -12 deg -12 deg
1200
4
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-13 deg 1000 -13 deg

2 800
-15 deg -15 deg
0 600
330 340 350 360 370 380 390 400 330 340 350 360 370 380 390 400
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crank angle, deg kt obrotu wau korbowego

crank angle, deg

Fig. 10. Pressure and temperature courses at full load with using variant start of injection
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46 1,45

45 1,4

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IMEP, MPa

1,35
ITE, %

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1,3
42

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40
7 9 11 12 13 15
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1,2
7 9 11 12 13 15
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start of injection, deg before TDC start of injection, deg before TDC

Fig. 11. Break thermal efficiency and break mean effective pressure of the test engine at full load as a
function of start of injection of diesel fuel in deg before TDC
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20 after TDC 60 after TDC

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Velocity
m/s
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90 after TDC 150 after TDC

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Fig. 12. Cross sections of the cylinder during the intake stroke at full load of engine
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12,0

10,0
NO/NOx, g/kWh

8,0

6,0

4,0
80 kW

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2,0 65 kW
58 kW

IP
0,0
0 5 10 15 20 25

CR
start of fuel injection, deg before TDC

US
Fig. 13. NOx emission as a function of angle of injection start for three analyzed loads
AN
0,50
80 kW
65 kW
M

0,40 58 kW
soot, g/kWh

0,30
ED

0,20
PT

0,10
CE

0,00
0 5 10 15 20 25
start of fuel injection, deg before TDC
AC

Fig. 14. Soot emission as a function of angle of injection for three analyzed loads
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10,0
80 kW
65 kW
8,0
58 kW
NOx, g/kWh

6,0

4,0 injection time at 9 deg

beforeTDC

injection time at TDC

2,0

T
IP
0,0
0,00 0,10 0,20 0,30 0,40 0,50
soot, g/kWh

CR
Fig. 15. The interdependence of NOx and soot emission for three analyzed loads

US
AN
Temperature, K NO, mf Soot, mf
deg
after
TDC
high temp. lean mixt. NOx formation
M

10
ED

15
PT

20

25
CE

lower temp. rich in fuel soot formation

Fig. 16. The cross sections of the combustion chamber at six piston position, showing the temperature,
AC

excess air ratio , NO and soot emission at engine with full load