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Spark Ignition Engine Combustion

MAK652E

Combustion Modelling in Engines


Prof.Dr. Cem Sorubay

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Contents

Engine modelling Introduction

Classification

Thermodynamic Models

Single-zone models

Multi-zone models

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Introduction

Currently 90 % of the energy used for transportation, power production and


heating is produced by combustion of liquid, solid and gaseous fuels.

Combustion studies;
scientific aspects of combustion process
understanding combustion requires knowledge of thermodynamics,
heat and mass transfer and chemical reaction theory

design and performance of specific technologies such


as internal combustion engines, turbines, furnaces etc.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Introduction

Combustion, chemical reaction kinetics


oxidation reactions which take place very rapidly with conversion of chemical
energy to sensible energy, generating heat and light

Increasing the surface area increses reaction rate for example liquid sprays in
IC engines, flame propagation in turbulent combustion, pulvarised coal
combustors etc.

Increasing the temperature also increases reaction rate the rate of a chemical
exothermic reaction increases as the temperature increases.
The rate of such gaseous reaction is often proportional to,
exp (-C/T)
where C is a constant and T is the reaction absolute temperature.

Since fuel reactions are exothermic, thermal energy is released. If the energy
release rate is faster than it is transported away by heat transfer, energy
release rate increases and eventually explosion occurs.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Introduction

In a spark ignition engine a premixed flame occurs and it is a


propagating flame

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Introduction

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Introduction

Open thermodynamic system

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Introduction

Experimental investigation low and high p

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Historical Perspective

In ancient and primitive cultures fire was primarily a mystery to be


feared of
It was then accepted as one of the four constituent elements of all
matter (earth, air, fire and water) until Renaissance

Carnot (1796 1832) and some other scientists began to study key
nature of matter, energy and combustion

Reflections on the Motive Power of Fire by Carnot :


thermodynamic cycle which convert a fraction of energy transfer
from a source (such as fire) into work with remaining energy being
rejected into a sink.

This provided a theoretical basis for an absolute temperature scale.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Thermal Efficiency

Carnot postulated an ideal thermodynamic cycle having the maximum


theoretical thermal efficiency desired work output to required heat
input.
desired energy output net work (Power)

required energy input heat flux added

TL TL is the lowest cycle absolute temperature


1
TH TH is the highest cycle absolute temperature

A high Carnot cycle efficiency implies high cycle temperature, which is


consistant with combustion process.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Historical Perspective

Formulation of classical thermodynamics

Development of modern heat engine which was the major


factor in Industial Revolution

Development of power systems have raised the material


quality of life

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Historical Perspective

Scientific work on combustion started in the 17th century

Early 1800 Joule proved that heat is a form of energy and not a material
substance

1855, Robert Bunsen measured flame speed and temperature, collected


flame enthalpy data by a calorimeter.

1868, Mallard conducted study on flame propagation


(Mallard and Le Chatelier model).

In the 20th century rapid progress has been made on combustion studies

1928 first Combustion Institute meeting same year first theoretical


treatment of diffusion flame height and shape by Burke and
Schumann
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Historical Perspective

Combustion modelling started in 1940s

With the advances in computer technology (high-speed computers) in


1960s and 1970s modelling studies were also advanced.

Today computer hardware is suitable for modelling calculation to be


performed merging chemical kinetics and fluid dynamics to
investigate many aspects of combustion systems.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Energy and Combustion

We will look at gas-phase chemical reactions that liberate


substantial energy as heat

The chemistry and physics of combustion take place within few


millionths of a second -
destruction and rearrangement of molecules which rapidly
release energy, require temperatures of 1600 2200 oC

High speed computers and laser anemometers are required to


investigate microscopic nature of combustion

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Fuel

Fuel can be considered as a finite resource of chemical potential energy


in which energy stored in the molecular structure of particular
compounds is released by complex chemical reactions

Fuels should have,


high energy density (content)
high heat of combustion (heat release)
good thermal stability (storage)
low vapour pressure (volatility)
nontoxicity (environmental impact)

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Fuel Engine Interface

combustion driven heat engines

intermittent combustion continuous combustion

internal external internal external

Diesel Brayton
compression ign gas turbine Rankine Stirling

direct inj indirect inj


Otto spark ignition

homogeneous stratified charge


charge
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Fuel Engine Interface

The state of the art in engineering of current power and propulsion


systems in use is in the increasing the combustion and thermal
efficiencies, and to develop new fuels and engines to operate

Developments in future engine technology to,


minimize pollutant emissions
maximize energy efficiency
optimize tolerance to a wider variety of fuels

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Engine Modelling

Two different approaches :


Flame front

Thermodynamic models
Burned gas Unburned gas

Multidimensional models Piston

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Engine Modelling

Thermodynamic Models
based on the First Law of Thermodynamics, used to analyse the
performance and emissions of SI-engines

classified into two groups : single zone models and multi zone models

In single zone models the mixture composition, pressure and


temperature of the combustion chamber are assumed to be uniform.
The chemical heat release is either specified (predictive analysis) or
calculated from pressure diagrams (heat release analysis).

In multi-zone models the mixture in the combustion chamber is


divided into two or three regions : unburnt and burnt regions and the
quench layer. These models require the specification of the burning
velocity and flame front geometry.
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Engine Modelling

One-zone approach Two-zone approach

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Engine Modelling

Dimensional Models (CFD approach)


dimensional models consider the spatial and temporal variations of
the velocity, temperature and pressure fields in one, two or three
dimensions.

In thermodynamic models, spatial flow variations are considered


local velocity and temperature fields are not calculated.

Governing equations for the flow field are solved various coordinate
systems can be used according to the formulation of the geometrical
conditions of the specified problem.

Turbulence model equations are also solved simultaneously.

Requires more computer storage memory and speed.


Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Thermodynamic Models

Single-zone Models
cylinder charge is assumed to be uniform in pressure, temperature
and composition.

heat release analysis : experimentally determined pressure diagrams


are used as an input to predict the heat release rate or the mass
burning rate they ignore the flame propagation and combustion
chamber geometry

if the mass burning rate is specified, they can be used as predictive


tools mass burning rate depends on combustion duration, ignition
angle, engine geometry, equivalence ratio, residual mass etc.
therefore tuning may be required to predict the pressure diagrams in
different engines or different operating conditions for the same
engine
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Thermodynamic Models

If mass transfer into and out of the cylinder during intake and exhaust,
the heat transfer between in-cylinder gases and cylinder head, piston,
and cylinder liner, and the rate of charge burning (energy release
from fuel) are all known, the energy and mass conservation
equations permit the cylinder pressure and work transfer to the
piston to be calculated.

These models predict engine operating characteristics - indicated power,


mean effective pressure, specific fuel consumption etc,

They effectively follow the changing thermodynamic and chemical state


of the working fluid through the four strokes of the cycle - they are
called engine cycle simulations.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Thermodynamic Models
Thermodynamic analysis Phenomenological models

Intake
Cylinder and valve geometry

Thermodynamic properties
Compression
Flow rates

Combustion Heat transfer

Transport properties
Expansion
Combustion rate

Exhaust Emission mechanism

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Thermodynamic Models

Starting point is the First Law of Thermodynamics applied to an open


system.

During each process, submodels are used - describing geometric


features of the cylinder and valves or ports, thermodynamic
properties of the unburnt and burnt gases, mass and energy transfer
across system boundaries and the combustion process.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Thermodynamic Models

Single-zone Models
define the state of the cylinder charge in terms of average properties,
do not distinguish between burnt and unburnt gases and assume the
cylinder charge is homogeneous.

heat transfer and gas flow phenomena can be included in simple


approaches.
combustion in a single zone model can be considered as a heat
addition process cylinder charge is regarded as a simple fluid.

The 1st Law of Thermodynamics applied to an open system,


d (mu) dV dQ
p m i hi (1)
d d d
p, T and m are the pressure, temperature and mass of the cylinder
charge respectively, u is the mixture specific internal energy
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Single-zone Models

T
u u o cv dT
To

cv specific heat at constant volume,


V combustion chamber volume,
dQ/d heat loss,
hi specific enthalpy of the gases flowing into the
cylinder with mass flow rate of mi
To reference temperature,
uo internal energy of formation at ref temperature
crank shaft angle

In the absance of injection and flow into crevices, dm/d = 0

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Single-zone Models

dQCH dT dV dQ dm
mcv p (h u ) CR
d d d d d (2)

first term is the heat release by combustion,


final term is mass flow rate into the crevices,

conservation of mass applied to combustion chamber,


dm dmCR
(3)
d d
when cylinder p is high, dmCR / d 0 h corresponds to that of the
combustion chamber,
pV (during expansion stroke h is
hu (4) that of the gases in crevices)
m dm / d 0
Prof.Dr. Cem SORUBAY - ITU CR
Automotive Laboratories
Single-zone Models

if crevice volume and T assumed constant, and crevice p is equal to


that of cylinder charge, mass flow rate into crevices will be,
dmCR dp / d
VCR (5)
d RTw

crevice temperature is set equal to Tw ,the wall temperature, and


VCR is the crevice volume

substituting eqn (5) into eqns (2) and (3) gives heat released by
combustion - when heat transfer losses are specified.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Single-zone Models

Cylinder charge is considered as an ideal gas,

pV mRT (6)

where gas constant R, is a function of mixture pressure, temperature,


equivalence ratio ( ) and mass fraction of the residual gases (f ).

R f (T , p, , f )

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Single-zone Models

Eqns (3) to (6) are substituted into eqn (2) to obtain an eqn which
relates the heat release rate to combustion chamber p and V, mass
fraction of residual gases, wall T and crevice V.
The resulting eqn can be used in heat release analyses if
experimentally determined p diagrams are used to predict the heat
release rate.

Alternatively resulting eqn can be used as a predictive tool if heat


release rate dQCH/d is specified as a function of crank shaft angle to
yield mixture p and T mass burning rate can be specified by
Wiebe function or other.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Single-zone Models

If the mass flow rates into crevices are neglected, the mass of the
cylinder charge is constant.

dm dmb dmu
0
d d d

where mb and mu are the mass of burnt and unburnt gases

Mass fraction of the burnt gases can be calculated from Wiebe function.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Single-zone Models

Wiebe function
mb 1 cos o / b
xb
m 2

mb o
m 1
(7)
xb 1 exp a
m b

o crank shaft angle at start of combustion


b combustion duration
xb mass fraction of burnt gases

3 < a <10 parameters


1<m<3
(a = 5 and m = 2)
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Single-zone Models

heat release rate will be,

dQCH dmb
C
d d
C is the heat of combustion which is approx uuo ubo

dmb / d is obtained from eqn (7)

The burnt gases in cylinder are close to thermodynamic


equilibrium, their properties are usually specified through curve fits
to thermodynamic equilibrium calculations
- curve fit reduces computation time.
NO formation is not an equilibrium process - effected by the T
gradients and the oxygen concentration : Zeldovich mechanism
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Single-zone Models

Single zone models do not account for combustion chamber geometry,


except in a global manner through V in eqns (2), (4) and (6)

These models do not consider flame propagation phenomena and do


not account for the burnt and unburnt gases in combustion chamber.

Cylinder volume change as a function of crank shaft angle can be


calculated by,

V Vc x A
D2
A
4
x r l PQ r l r cos l 2 r sin
2

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Single-zone Models

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Single-zone Models
Heat transfer losses can be calculated from Nusselt-Reynolds number
correlations as,

hL
Nu a Reb Pr c

h the film heat transfer coefficient,
L characteristic dimension,
the gas thermal conductivity,
v characteristic velocity

a=0.037 , b=0.8 , c=0.3

L cp
Re Pr

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Single-zone Models

Instantaneous wall heat transfer is given by Woschni,

q w hATw T

v v
h 0.00326 p 0.8 mot comb
0.8

B 0.2 T 0.53

vmot c1"v pis 2SN


v pis
60
during combustion-
expansion c1 = 2.28
" Vd T1
vcomb c2 p pmot c2 = 0.00324
p1V1
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Single-zone Models

In addition to convective heat transfer, radiative heat transfer


can also be important.

Annands eqn for heat transfer

dQL
d

A a
D Re b
T Tw c T 4
T
4
w
6N
N engine speed [rpm]
A area exposed for heat transfer
a,b,c constants
thermal conductivity of gas
D engine bore diameter
T gas temperature
Tw wall temperature

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Multi-zone Models

They account for combustion chamber geometry and for the presence of
burnt and unburnt gases

Cylinder mixture is divided into burnt and unburnt zones, which are
seperated from each other be a surface of discontinuity an
infinitesimally thin flame that propagates into the unburnt gases.

Composition and temperature of the burnt and unburnt gases are


different, the pressure is uniform throughout the combustion
chamber.
The assumption of uniform T in unburnt gases is reasonable, but in
burnt gases there is significant T gradients - due to differences
between first burning then compressing the burnt gas (compared to
first compressing and then burning the fresh charge)

Multi-zone models do not consider the flame structure but may


account for quenching.
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Multi-zone Models

Flame front

Propagation

Burned gas Unburned gas

Piston

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Assumptions

Assumptions made are,

uniform pressure throughout the combustion chamber

uniform temperature in the burnt and unburnt gases

no heat transfer between unburnt and burnt gases at flame front

unburnt gases frozen and burnt gases in chemical equilibrium

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Governing Equations
T

U mu uu mbub u u o cv dT
To

Tu Tb

ub ub cv ,b dT
o
uu uu cv ,u dT
o

To To

mu mb m

dm dmu dmb dmu ,CR dmb,CR



d d d d d

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Governing Equations

m
Vu Vb V

pVu mu RuTu pVb mb RbTb

d mu uu dVu dQu dmu , R dmu ,CR


p hu hu
d d d d d

d mbub dVb dQb dmb, R dmb,CR


p hu hb
d d d d d

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Governing Equations

Here, subscripts

b and u burnt and unburnt


R chemical reaction
CR flow into crevice volume

so last two terms denote the heat fluxes associated with chemical
reactions and heat fluxes associated with flow into crevices
respectively.

Also,
dmu , R dmb, R
dmc

d d d

which is the combustion rate or the mass burning rate.


Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Leakage and Flow into Crevices

In the absence of leakage and flow into crevices,


dmu,R dmu dmb,R dmb

d d d d

If there is leakage,
dm dmu ,CR dmb,CR

d d d

dmb dmb,CR dmb, R



d d d

dmu dmu ,CR dmu , R



d d d
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Governing Equations

So, arranging eqns,

dmu , R dmu ,CR


hu uu uu h
dTu dVu dQu
mu cv ,u p
d d d d d

dmb, R dmb,CR
hb ub ub h
dTb dVb dQb
mb cv ,b p
d d d d d

here,
Vu Vb
hu uu p hb ub p
mu mb

h is the specific enthalpy of unburnt gases if dmu ,CR / d 0

and the specific enthalpy of burnt gases if dmb,CR / d 0


Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Governing Equations

Leakage of burnt and unburnt gases can be calculated by,

dmCR dp / d
VCR
d RTw

Combustion chamber pressure is obtained by adding state eqns,

pVu Vb mu RuTu mb RbTb

The gas constant is a function of equivalence ratio, residual gas mass


fraction, pressure and temperature (Tu for Ru and Tb for Rb).

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Governing Equations

Mass fraction of burnt and unburnt gases,

mb mu
xb xu
m m

differentiating the above eqn for xb w.r.t. crank shaft angle gives,

dmb dm dxb dmc dmb,CR


xb m
d d d d d
or
dmc dmb,CR dm dx
xb m b
d d d d

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Governing Equations

The first order O.D.E. for mu, mb, Vb, Tu, Tb, mc and p are obtained.
Vu can be calculated by knowing Vb

This system of eqns is not closed - more unknowns than the number of
eqns.
dmc
Closure can be achieved by specifying mass burning rate,
and the geometry of the flame front. d
Flame front is usually assumed to propagate spherically from the
spark plug, and the mass burning rate (or turbulent flame speed)
is either specified or calculated by phenomenological models.

Wiebe function described for single-zone models gives mass burning


rate,
mb m 1

xb 1 exp a o

m b
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Mass Burning Rate

Spherical flame front assumption - leads to large underpredictions of


flame surface area, as this assumptions constrains flame surface
area-to-volume ratio to be absolute minimum and flame is trancated
by combustion chamber walls.

Interaction of flame front with combustion generated flow field may


result in highly curved flames, aerodynamic and geometrical
strechings and flame quenching.

Combustion can be approached by


phenomenological models that calculate mass burning rate from physical
considerations,
specifying turbulent flame speed for the calculation of the amount of
fuel burnt
specifying the mass burning rate.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Mass Burning Rate

Some models attempt to predict the burning rate from fundamental


physical quantities such as turbulence intensity, integral length scale,
Kolmogorov eddy size, kinetics of fuel-air oxidation process.

The purpouse is to predict ignition delay and combustion rate as a


function of engine design and operating conditions.

The burning process can be modeled as a flame of surface area Af -


usually assumed to be a sphere propogating through the unburnt gas
mixture of density u with a turbulent flame speed ST such that,

dmb
u A f ST
d

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Mass Burning Rate

Experiments show that ST is proportional to the turbulent intensity, u

Some researchers assumed that ST is proportional to the laminar flame


speed SL with a proportionality constant that is a function of u
- in this approach effects of turbulent length scale on ST are not
included.

Turbulent length scale is very important during ignition and extinction


- where quenching due to velocity gradients is important.

If ST g S L
where g is a function of engine speed, the resulting model is unable
to predict combustion duration as a function of the ignition delay time
and equivalence ratio.

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Calculation of the Mass Burning Rate

Blizard - Keck Model

BK model considers the effect of u (turbulence intensity), SL (laminar


flame speed) and (turbulence length scale) on burning rate and
assumes that large eddies entrain the fresh mixture, whereas small
eddies burn in a laminar maner with a characteristic time,
b / SL
and mass entrainment of fresh mixture into flame front is,
dme
u A f ue where ue is the entrainment velocity
dt
BK model assumes that ent. velocity is proportional to inlet gas speed
and that is proportional to valve lift.

It is an algebraic model.
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Calculation of the Mass Burning Rate

Algebraic Models

These models use conservation equations for the turbulence kinetic


energy to calculate entrainment velocity, but specify turbulent length
scale algebraically (or from equilibrium considerations)
1/ 2
Poulos and Heywood, 2k
ue S L u' u'
3

calculated from the mean flow (K) and turbulence kinetic energy (k)
conservation equations.
1/ 2
dK V2
m exh KL k
m int int
PK P C 2
dt 2 m m
dk
P m k
m exh

2k / 3m
3/ 2

dt m L
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Calculation of the Mass Burning Rate

Here is the length scale of energy containing eddies, m is the


mean flow rate, is the dissipation of turbulence kinetic energy,
L is a length scale, C is a constant.
int and exh indicate flow into and out of the cylinder
V
Length scale is assumed to be equal to L, L
D2 / 4
where D is the cylinder diameter.

Turbulent flow field is assumed homogeneous and isotropic (as flame


generated turbulence is neglected).

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Calculation of the Mass Burning Rate

Combustion process is modelled as the entrainment of the unburnt


mixture by the flame and combustion within the flame,

u Af u ' S L
dme
dt
dmb me mb
b
dt b SL

Tu p
SL

S L ,ref Tref

p

4.706 f 2 4.062 f 1
ref


1/ 2
where f is the residual mass fraction.
15
L u' L

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Specification of the Turbulent Flame Speed

Turbulent flame speed can be specified as a function of turbulence


intensity, laminar flame speed, and engine rpm.

These models assume that flame propogates spherically through the


combustion chamber.
ST u'
Turbulent flame speed, 1 4.01
SL SL
during flame development, until flame radius reaches approx 0.03 m
1/ 2
ST u ' R f
1 4.01
S L flamedevelopment S L 0.03

expansion velocity can be obtained by,


ST u
1
S L b
Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories
Specification of the Turbulent Flame Speed

This eqn is physically explained by,

ST f S L

f is the turbulence enhancement factor which is proportional to


engine speed, n in [rpm]
f 1 0.00197n

Hiroyashu and Kadota model f 1 0.002n

Rubin and McLean model ST A Re B S L

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Specification of the Turbulent Flame Speed

f Re
ST
Andrews model SL

u'
Re

where is the Taylor microscale

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories


Mass Burning Rate

Mass fraction of burnt gas is specified - by models like Wiebe function

dmc
u A f ST
d

Prof.Dr. Cem SORUBAY - ITU Automotive Laboratories

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