Development and validation of a comprehensive two-zone model for combustion and emissions formation in a DI diesel engine

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Development and validation of a comprehensive two-zone model for combustion and emissions formation in a DI diesel engine

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combustion and emissions formation in a DI diesel engine

DOI: 10.1002/er.939

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INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Int. J. Energy Res. 2003; 27:1221–1249 (DOI: 10.1002/er.939)

two-zone model for combustion and emissions

formation in a DI diesel engine

1

Internal Combustion Engines Laboratory, Thermal Engineering Section, Mechanical Engineering Department, National

Technical University of Athens, 9 Heroon Polytechniou Str., Zografou Campus, Athens 15780, Greece

2

Department of Mechanical and Industrial Engineering, University of Illinois at Urbana-Champaign,

1206 West Green Str., Urbana, IL 61801, U.S.A.

SUMMARY

A two-zone model for the calculation of the closed cycle of a direct injection (DI) diesel engine is presented.

The cylinder contents are taken to comprise a non-burning zone of air and another homogeneous zone in

which fuel is continuously supplied from the injector holes during injection and burned with entrained air

from the air zone. The growth of the fuel spray zone, consisting of a number of fuel–air conical jets equal to

the injector nozzle holes, is carefully modelled by incorporating jet mixing to determine the amount of

oxygen available for combustion. Application of the mass, energy and state equations in each one of the

two zones yields local temperatures and cylinder pressure histories. For calculating the concentration of

constituents in the exhaust gases, a chemical equilibrium scheme is adopted for the C–H–O system of the 11

species considered, together with chemical rate equations for the calculation of nitric oxide (NO). A model

for the evaluation of soot formation and oxidation rates is incorporated. A comparison is made between

the theoretical results from the computer program implementing the analysis, with experimental results

from a vast experimental investigation conducted on a fully automated test bed, direct injection, standard

‘Hydra’, diesel engine located at the authors’ laboratory, with very good results, following a multi-

parametric study of the constants incorporated in the various sub-models. Pressure indicator diagrams and

plots of temperature, NO, soot density and of other interesting quantities are presented as a function of

crank angle, for various loads and injection timings, elucidating the physical mechanisms governing

combustion and pollutants formation. Copyright # 2003 John Wiley & Sons, Ltd.

n

Correspondence to: Professor C. D. Rakopoulos, Thermal Engineering Section, Mechanical Engineering Department,

NTUA, 9 Heroon Polytechniou Str., Zografou Campus, Athens 15780, Greece.

y

E-mail: cdrakops@central.ntua.gr

z

Professor Internal Combustion Engines.

}

Director of I.C. Engines Laboratory.

}

Research assistant.

k

Assistant professor of Combustion.

Copyright # 2003 John Wiley & Sons, Ltd. Accepted 6 March 2003

1222 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

1. INTRODUCTION

Public concern for maintaining a clean environment has motivated extensive research into the

sources of pollution and ways to reduce it. One such major polluting contributor is the internal

combustion engine, either in the form of spark-ignition (Otto) or Diesel version. In parallel to

the environmental threat posed by these engines (Ferguson, 1986; Rakopoulos, 1991), their

main source of fuel, the crude oil, is being depleted at increasing rates, so that the development

of less polluting and more eﬃcient engines is today of paramount importance for engine

manufacturers (Watson and Janota, 1982; Heywood, 1988; Rakopoulos, 1992). Also, to this end

corroborates the fact of increasing threat posed by the rivals of the internal combustion engine,

for smaller size engines, such as the electric motors, the hybrid engines, the fuel cells and the like

(Ferguson, 1986; Rakopoulos and Kyritsis, 2001).

Experimental work aimed at fuel economy and low pollutants emissions from Diesel (as well

as Otto) engines involves successive changes of each of the many parameters concerned, which is

both very demanding in terms of money and time. With the advent of digital computers, the

obvious alternative is today the simulation of the engine performance by a mathematical model,

where the eﬀect of design and operation changes can be quickly and cheaply estimated by the

use of computers, provided that the main mechanisms are recognized and correctly modelled

(Benson and Whitehouse, 1979; Horlock and Winterbone, 1986; Ferguson, 1986; Heywood,

1988).

The process of diesel combustion is inherently very complex due to the transient and

heterogeneous character of combustion, which is mainly controlled by turbulent mixing of fuel

and air in the fuel jets issuing from the nozzle holes. High speed photography studies and in-

cylinder sampling have revealed some interesting features of combustion (Heywood, 1988). The

ﬁrst attempts to simulate the diesel engine cycle substituted the ‘internal combustion’ by

‘‘external heat addition’’ (Ferguson, 1986). Apparent heat release rates were empirically

correlated to fuel injection rates and used in a thermodynamic cycle calculation to obtain

cylinder pressure, in a uniform mixture (Austen and Lyn, 1960–61). Models based on droplet

evaporation and combustion, while still in a mono-zone mixture, can only take partially into

account the heterogeneous character of diesel combustion (Whitehouse and Way, 1969–70).

The need for accurate predictions of exhaust emissions pollutants forced the researchers to

attempt developing two-zone combustion models (Khan et al., 1971; Whitehouse and Sareen,

1974; Kouremenos et al., 1989). Eventually, some multi-zone combustion models have appeared

(Shahed et al., 1975; Hodgetts and Shroﬀ, 1975; Hiroyasu et al., 1983; Kouremenos et al., 1987),

carrying the expected drawbacks of the ﬁrst attempts, where the detailed analysis of fuel–air

distribution permits the calculation of exhaust gas composition with reasonable accuracy, albeit

under the rising of computing time (cost) when compared to lower zones diesel combustion

models.

At this point it should be mentioned that multi-dimensional models are proving useful in

examining problems characterized by the need for detailed spatial information and complex

interactions of many phenomena simultaneously (Butler et al., 1981; Gosman and Harvey,

1982). However, these are limited by the relative inadequacy of sub-models for turbulence,

combustion chemistry and by computer size and cost of operation, to crude approximations to

the real ﬂow and combustion problems (Hiroyasu et al., 1982; Heywood, 1988).

Therefore, it is felt that a reasonable choice seems to be a two-zone model, which includes

the eﬀect of changes in engine design and operation on the details of the combustion

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1223

process, through a phenomenological model where the geometric details are fairly well

approximated by detailed modelling of the various mechanisms involved, along the lines of

recent multi-zone models philosophies (Rakopoulos et al., 1995; Rakopoulos and Hountalas,

1998, 2000). This is going to have the advantage of relative simplicity and very reasonable

computer time cost.

Thus, the object of the present work is the development of a comprehensive two-zone model,

applied for a direct injection (DI) diesel engine, similar in broad outline to others, but with

several diﬀerences that one should expect from an independent research group. The present

paper gives a detailed description of such a model, which contains upgraded jet mixing, heat

transfer and chemistry sub-models, incorporating a multi-parametric study of the constants in

the various sub-models needed for increased accuracy. It keeps as simple as possible the

numerical analysis treatment of the governing diﬀerential and algebraic equations, thus leading

to good solution convergence with reduced computer time cost. Furthermore, the present work

is extensively veriﬁed using data from a vast experimental investigation, conducted at the

authors’ laboratory on a fully automated test bed, four-stroke, water cooled, standard ‘Hydra’,

direct injection, high speed, diesel engine, which oﬀers the ability to have its operating

conditions varied very easily. Plots of pressure, temperatures in the two zones, nitric oxide (NO),

soot density and of other interesting quantities are presented as a function of crank angle (time),

for various loads and injection timings, providing insight into the physical mechanisms

governing combustion and pollutants formation.

The model deals with a bowl-in-piston combustion chamber (DI) into which fuel is injected, in a

predominant radial direction, from a number of holes (four in the present application) drilled

symmetrically on the injector tip. The model includes only those processes occurring during

the portions of compression and expansion strokes, when all valves are closed (closed cycle).

It incorporates the main processes taking place in the cylinder, i.e. the in-cylinder air motion,

the fuel spray development and mixing, the spray impingement on the walls, the turbulent

heat transfer and the chemistry of combustion. The droplets evaporation and the fuel

ignition delay are implicitly taken into account through the combustion sub-model. The fuel

considered is dodecane (C12H26), representing a common fuel for commercial diesel engines.

The main calculation procedure is based on the integration of the ﬁrst law of thermodynamics

and the perfect gas state equation combined with the various sub-models, for each zone

separately.

During compression only one zone (of pure air) exists. Then, the ﬁrst law of thermo-

dynamics for a closed system is applied together with the perfect gas state equation (Heywood,

1988), i.e.

dQ ¼ dE þ p dV ð1Þ

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

1224 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

where dQ is the heat loss to the chamber walls, Mch the charge molecular weight and V the

instantaneous cylinder volume given by,

V ¼ Vc‘ þ ðpD2 =4Þr ½1 þ l1 cos j ðl2 sin2 jÞ1=2 ð3Þ

where Vc‘ is the cylinder clearance volume and l the crank radius to piston rod length ratio.

During combustion and expansion, depending on the number of injector nozzle holes, an

equal number of zones constitute the entire burning section. In this case, apart from the perfect

gas state equation, the ﬁrst law of thermodynamics for an open system is applied for each zone.

For the surrounding air zone, which only loses mass (air) to the burning zone, the ﬁrst law is

written as (Benson and Whitehouse, 1979)

dQ ¼ dE þ p dV þ ha dma ð4Þ

while for the burning zone, which gains mass (air) from the air zone and also an enthalpic ﬂow

from the fuel ready to be burned in the time step, the ﬁrst law becomes

dQ ¼ dE þ p dV ha dma hf dmf ð5Þ

In the above equations, the internal energy E of the mixture is computed by knowing the

instantaneous composition and the speciﬁc internal energies of the constituents. The latter ones

are given as fourth order polynomial expressions of the absolute temperature T, including the

enthalpy of formation at absolute zero (Benson and Whitehouse, 1979). Similar expressions are

then derived for speciﬁc enthalpies and heat capacities, by applying the simple thermodynamic

relations connecting these quantities for a perfect gas.

Heat transfer between cylinder trapped mass and surrounding walls is calculated using the

formula of Annand (1963):

Q’ lg

q’ ¼ ¼ a ðReÞb ðTw Tg Þ þ c ðTw4 Tg4 Þ ð6Þ

F D

where Tg is the absolute zone temperature, Re=rDup/mg is the Reynolds number, up=2NS/60 is

the mean piston speed with S the piston stroke and lg, mg the gas thermal conductivity and

dynamic viscosity, respectively, expressed as polynomial functions of temperature Tg. The

constants a,b,c in the above equation are evaluated as described in the following section.

The correlation of Hiroyasu et al. (1980) is used for the spray tip location as a function of time,

based on relevant experimental data and turbulent gas jet theory. The fuel injected inside the

combustion chamber breaks up into globules, forming a cone-shaped spray corresponding to

each one of the ‘z’ nozzle holes. If the kmol of air trapped in the cylinder (in one cycle) are

watot ¼ matot =Ma ; then the phenomenon will continue until each spray penetration reaches a value

of (D/2+pD/z), or until it entrains a maximum quantity of air equal to watot =z: It is noted that

given the global AFR, the total quantity of fuel to be injected in the cycle wf tot ¼ mf tot =Mf is

known.

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1225

At ﬁrst, the parameters related to the point of jet break-up are computed. A mean value of

fuel injection rate is used:

m%’ f inj ¼ mf tot =ðz Djinj Þ ð7Þ

j

where index ‘j’ denotes each one of the z sprays and Djinj is the total duration of fuel injection in

degrees crank angle. Then, the mean spray velocity is given by

%’ f inj 6N =ðr‘ F Þ

u%inj ¼ m ð8Þ

j

where F ¼ pD2N =4: Therefore, the mean pressure drop in the nozzle is

Dp ¼ 0:5r‘ ðu%inj =cD Þ2 ð9Þ

where the discharge coeﬃcient cD is taken to be equal to 0.39.

The break-up time tbr is found now by equating the two expressions of Hiroyasu et al. (1980)

correlation before and after tbr, corresponding to the break-up length x=xbr,

qﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

x ¼ 0:39 2Dp=r‘ t for 05t tbr ð10Þ

pﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

x ¼ 2:95ðDp=ra Þ0:25 DN t for t tbr ð11Þ

so that qﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃﬃ

tbr ¼ 28:61r‘ DN = ra Dp ð12Þ

where ra is the density of air inside the cylinder just before combustion begins and the break-up

length is, xbr ¼ u% inj tbr :

At this point we take into account the air swirl by modifying the above correlations, by

introducing the air swirl ratio RS=NS/N with NS the cylinder charge rotational speed. Then, the

break-up length with swirl is,

xbrs ¼ xbr ð1 þ p Rs N xbr =30 u% inj Þ1 ð13Þ

and the corresponding break-up time

tbrs ¼ xbrs =u%inj ¼ ðxbrs =xbr Þ tbr ð14Þ

We are now in a position to start our main calculations. At each crank angle step, the fuel

injection rate and the cumulative fuel injected in each spray are, respectively,

m’ f injj ¼ m’ f inj =z and mf injj ¼ mf inj =z ð15Þ

Similarly, the spray tip velocity and the pressure drop across the nozzle are, respectively,

uinj ¼ m’ f injj 6N =ðr‘ F Þ and Dp ¼ 0:5r‘ ðuinj =cD Þ2 ð16Þ

Now we discriminate the following cases, according to the value of time t, for the cases of

no-swirl and of presence of swirl (index s).

For t tbrs:

x ¼ uinj t and xs ¼ xð1 þ pRs N x=30uinj Þ1 ð17Þ

The spray angles are y=0 and ys=0, while the fuel inside the spray is eﬀectively mfj=0.

For t>tbrs:

pﬃﬃﬃﬃﬃﬃﬃ

x ¼ 2:95ðDp=ra Þ0:25 DN tb and xs ¼ xð1 þ pRs N x=30uinj Þ1 ð18Þ

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

1226 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

In the above relation, the exponent of time b=0.50 if xs D=2; that is before wall

impingement, while it is taken equal to 0.48 if xs D/2, that is after wall impingement. It is seen

that the same correlations are opted to be used both before and after wall impingement, using

diﬀerent values for b. Thus, the complexities involved due to uncertainties in modelling the real

physical mechanisms existing in the spray picture after wall impingement are avoided (Khan

et al., 1971; Whitehouse and Sareen, 1974).

The spray angles (in rad) are

rﬃﬃﬃﬃﬃ pﬃﬃﬃ! 2

1 ra 3 x

y ¼ 2 arctan 0 4p and ys ¼ y ð19Þ

A r‘ 6 xs

where constant A0 is given by the empirical relation (LN is the nozzle hole length),

A0 =3+0.28(LN/DN).

The mass of entrained air in the spray (of conical shape) is, respectively,

p y 2

maj ¼ tan ra ðx xbr Þ3 ð20Þ

3 2

!2

p ys

majs ¼ tan ra ðxs xbrs Þ3 ð21Þ

3 2

where in the above relations it is considered that the volume taken by the fuel is negligible

against that of the air, as well as the paraboloid part at the base of the cone against that of the

pure cone.

The above relations for the mass entrained apply only in the case where tbrs 5t

ðDjinj =6N Þ þ tbrs : In the case where t > ðDjinj =6N Þ þ tbrs ; one has to subtract from the spray

volume a conical part at the tail (index t) of the spray. Then, the above equations become,

respectively,

p y 2 3 p yt 2

maj ¼ ra tan ðx xbr Þ ra tan ðxt xbr Þ3 ð22Þ

3 2 3 2

p ys 2 p yts 2

majs ¼ ra tan ðxs xbrs Þ3 ra tan ðxts xbrs Þ3 ð23Þ

3 2 3 2

where

pﬃﬃﬃﬃﬃﬃﬃ

xt ¼ 2:95ðDp=ra Þ0:25 DN ½t ðDjinj =6N Þ tbr bt ð24Þ

is the cone length to be subtracted in the case of no-swirl (for the exponent bt apply the same as

for the exponent b above), while

xts ¼ xt ð1 þ pRs N x=30uinj Þ1 ð25Þ

is the corresponding cone length to be subtracted when swirl exists.

The corresponding spray angles for the tail part of the cone to be subtracted are, respectively,

yt ¼ y and yts ¼ yt ðxt =xts Þ2 ð26Þ

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1227

For the fuel mass which is eﬀectively inside the spray (the fuel starts to be considered inside

the spray only after the break-up length), we have:

mf j ¼ mf injj ðt tbrs Þ=t for t Dfinj =6N ð27Þ

mf injj

mf j ¼ ðt tbrs Þ for Dfinj =6N 5t ðDfinj =6N Þ þ tbrs ð28Þ

ðDfinj =6N Þ

AFRspr ¼ maj =mf j and AFRsprs ¼ majs =mf j ð30Þ

The semi-empirical model of Whitehouse and Way (1969–70) is used for calculating the rate of

combustion. The injected fuel in the burning zone mixes up with the air entrained from the air

zone via a mixing and diﬀusion process, while the burning rate of the fuel is eﬀected by an

Arrhenious-type expression.

For the preparation rate P (in kg 8CA1):

P ¼ Kmf1x

inj

mxf up pO

m

2

ð31Þ

Z j

K 0 pO

R ¼ pﬃﬃﬃ2ﬃ eEred =T ðP RÞ dj ð32Þ

N0 T o

In the above relations, mf inj is the total mass of injected fuel (cumulative) up to the present

crank angle j (time t), which is given by the following expression:

Z j

dmf inj

mf inj ¼ dj ð33Þ

o dj

where ðdmf inj =djÞ is the fuel mass injection rate. Furthermore,

Z j

mf up ¼ mf inj P dj ð34Þ

o

where mf up is the cumulative mass of not yet prepared fuel, N0 is the engine speed (in rps) and

pO2 is the partial pressure of oxygen (in bar) in the zone. Constants K, K0 , x, m and Ered are

evaluated as described in the following section.

Finally, the combustion rate is given by the relations:

dmf b =dj ¼ R if R5P and dmf b =dj ¼ P if R>P ð35Þ

Combustion products are deﬁned by dissociation considerations. For the C–H–O–N system

the complete chemical equilibrium scheme proposed by Way (1977) is used. The following 11

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

1228 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

ð6Þ N2 ; ð5Þ O2 ; ð1Þ CO2 ; ð3Þ H2 O; ð2Þ CO; ð4Þ H2 ;

ð8Þ NO; ð9Þ OH; ð10Þ N; ð11Þ H and ð12Þ O

where each species ‘i’ is referred to by the number in parenthesis in front of its name, with

number ‘7’ reserved for the fuel.

For the burning zone, given its volume, temperature, mass of fuel burned and mass of air

entrained, the concentration of each one of the above species can be calculated by solving a

system of 11 equations consisting of four atom balance equations (one for each element) and

seven equilibrium equations. The chemical reactions considered to be in equilibrium are:

ð1Þe N2 þ O2 Ð 2NO ð2Þe 2H2 O þ O2 Ð 4OH

ð3Þe 2CO þ O2 Ð 2CO2 ð4Þe 2H2 þ O2 Ð 2H2 O

ð5Þe N2 Ð 2N ð6Þe H2 Ð 2H

ð7Þe O2 Ð 2O

The equilibrium constants for the above seven reactions are as follows:

2 4 2

pNO pOH pCO

Kp1 ¼ ; Kp2 ¼ 2

; Kp3 ¼ 2

2

pN 2 pO 2 pH 2 O pO 2 pCO pO2

2 2 2 2

pH 2O

pN pH pO

Kp4 ¼ 2 p

; Kp5 ¼ ; Kp6 ¼ ; K p7 ¼ ð36Þ

pH 2 O2 pN 2 pH 2 pO 2

where pi are the partial pressures of the species made non-dimensional with respect to the

standard atmospheric pressure patm ¼ 1 atm:

As the consideration of chemical equilibrium cannot predict correctly the NO concentration, the

generally accepted kinetics formation scheme proposed by Lavoie et al. (1970) is used. The

equations which describe the above model, together with their forward reaction rate constants

kif (in m3 kmol1 s1), are:

N þ NO Ð N2 þ O; k1f ¼ 3:1 1010 expð160=T Þ

N þ O2 Ð NO þ O; k2f ¼ 6:4 106 T expð3125=T Þ

N þ OH Ð NO þ H; k3f ¼ 4:2 1010

The change of (NO) concentration (in kmol m3) is expressed as follows:

1 dððNOÞV Þ R1

¼ 2ð1 a2 Þ ð37Þ

V dt 1 þ aR1 =ðR2 þ R3 Þ

where Ri is the one-way equilibrium rate for reaction i, deﬁned as

R1 ¼ k1f ðNÞe ðNOÞe ; R2 ¼ k2f ðNÞe ðO2 Þe ; R3 ¼ k3f ðNÞe ðOHÞe

with index ‘e’ denoting equilibrium concentration and term a=(NO)/(NO)e.

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1229

The net soot formation rate is calculated by using the model proposed by Hiroyasu et al. (1983),

as modiﬁed by Lipkea and DeJoode (1994).

According to this model, there is a soot formation (index sf) and a soot oxidation (index sc)

rate formulated as follows:

dmsf

¼ Asf dm0:8 0:5

f p expðEsf =ðRmol T ÞÞ ð38Þ

dt

dmsc

¼ Asc msn ðpO2 =pÞp n expðEsc =ðRmol T ÞÞ ð39Þ

dt

where pressures are expressed in bar and masses in kg, dmf is the unburned fuel vapour mass to

be burned in the time step dt and pO2 is the partial pressure of oxygen in the zone.

Therefore, the net soot formation is expressed as follows:

dmsn dmsf dmsc

¼ ð40Þ

dt dt dt

The exponent n, the constants Asf, Asc and the activation energies Esf, Esc in the above

equations are evaluated as described in the following section.

PROGRAM STRUCTURE

The equations of the model exposed in the previous section are solved numerically using a

marching technique, with a time step size of 18 crank angle. The steps used are described in

detail in the following sub-sections. Before the start of calculations, the design characteristics of

the engine in hand are provided, as well as the operating data at the start of the cycle, i.e. at IVC

event. The calculations stop at EVO event. The corresponding program is written in Fortran V

language and executed on a Pentium-III Personal Computer. The computer program structure

follows very closely the step-by-step procedure described below.

(1.1) Introduce the data at IVC event, i.e. j1, p1, T1, trapped composition (air with no fuel)

and compute V1 from engine geometry. From the perfect gas state equation calculate the

trapped kmol of air watot ; so that given the global AFR the total kmol of fuel to be injected in the

cycle wf tot are known. Select crank angle step size Dj equal, here, to 18.

(1.2) Calculate the initial internal energy E1 using its T1 relation and similarly for the heat

capacities cp and cv.

(1.3) For new crank angle j2=j1+Dj, compute V2 from engine geometry.

(1.4) Estimate temperature T2 assuming isentropic change:

T2 ¼ T1 ðV1 =V2 Þg1 ¼ T1 ðV1 =V2 ÞRmol =cv ; with g=cp(T1)/cv(T1)=constant.

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

1230 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

(1.6) Calculate the work in the step: dW ¼ p dV ¼ 0:5ðp1 þ p2 ÞðV2 V1 Þ:

(1.7) Calculate dQ from the heat loss sub-model of Annand (1963).

(1.8) Apply the ﬁrst law of thermodynamics for a closed system:

f ðEÞ ¼ E2 E1 þ dW dQ ¼ 0

Solve this equation with respect to T2 using the Newton–Raphson numerical method

(McCracken and Dorn, 1964), so that a better estimate of T2 is found.

(1.9) Calculate p2 for the revised value of T2, using the gas state equation at time moments

1 and 2.

(1.10) Repeat steps 5–9 until the error f(E) in the ﬁrst law equation is negligible.

(1.11) Set conditions at the end of time step (index 2) as initial conditions for the next time

step (new state, index 1) and repeat all steps from 1.2 to 1.10 . Carry on this way, until j2 equals

the value at the start of fuel injection jsoinj.

(1.12) During the jet break-up period there is no combustion, so continue with the

compression phase calculations keeping also track of the fuel injection rate m’ f inj and the

cumulative injected fuel mf inj :

(2.1) Connect the forming two-zone system with the previous single-zone one:

where biu and bib (i=1, . . . , 12) are the number of kmol of constituents (including fuel) per kmol

of wf tot ; at the beginning of the time step.

(2.2) Set conditions at the end of previous time step (old state, index 2) as initial conditions for

the current time step (new state, index 1) for both zones.

(2.3) For crank angle j2=j1+Dj, compute V2 from engine geometry.

(2.4) Calculate the fuel injection rate m’ f inj and cumulative injected fuel mf inj :

(2.5) Calculate the fuel inside each spray mf j and the corresponding entrained air majs :

(2.6) Estimate pressure p2 at the end of the time step, to be checked later on, by assuming

isentropic change (with g=1.35): p2 ¼ p1 ðV1 =V2 Þg :

(2.7) Deﬁne a mean temperature at the beginning and end of time step as:

P P P P

biu T1u þ bib T1b aiu T2u þ aib T2b

Tbulk1 ¼ P P ; Tbulk2 ¼ P P ð41Þ

biu þ bib aiu þ aib

where aiu and aib (i =1 , . . . , 12) are the number of kmol of constituents, per kmol of wf tot ;

at the end of the time step. Then, calculate total heat loss dQ for both zones from the

heat loss sub-model of Annand (1963) at conditions: (p1+p2)/2, (Tbulk1+Tbulk2)/2 and

(V1+V2)/2.

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DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1231

(2.8) Distribute total dQ in the two zones in proportion to their kmol and absolute

temperatures (Shahed et al., 1975):

P P

ð biu Þ T1u þ ð aiu Þ T2u

dQu ¼ P P P P dQ ð42Þ

ð biu Þ T1u þ ð aiu Þ T2u þ ð bib Þ T1b þ ð aib Þ T2b

P P

ð bib Þ T1b þ ð aib Þ T2b

dQb ¼ P P P P dQ ð43Þ

ð biu Þ T1u þ ð aiu Þ T2u þ ð bib Þ T1b þ ð aib Þ T2b

(2.9) Make computations in the unburned zone, as described in a following sub-section.

(2.10) Compute the isenthalpic mixing of the newly incoming air in the burning zone, as

described in a following sub-section.

(2.11) Make computations in the burning zone, as described in a following sub-section.

(2.12) Check temperatures of the two zones. If T2u0, T2b0 are the temperatures calculated up

to the present iteration step and T2u, T2b the same temperatures as found by executing steps

2.9–2.11, then relative errors eu=|(T2u0T2u)/ T2u0| and eb=|(T2b0T2b)/T2b0| must be less than

a speciﬁed accuracy, otherwise repeat steps 2.7–2.11 until temperatures convergence.

(2.13) Check volumes of the two zones and change pressure p2 if necessary, since the volume

constraint V2=V2b+V2u must be satisﬁed, where V2u and V2b were found from steps 2.9 and

2.11, respectively. If relative error ev=|(V2V2bV2u)/V2| is greater than a speciﬁed accuracy,

then set a new value in p2 as

p2 ¼ p2 ðV2b þ V2u Þ=V2

and repeat steps 2.7–2.12 until satisfaction of the volume constraint relation.

(2.14) Calculate various useful quantities, such as the gross and net heat release rates as well

as their cumulative values at each step (Heywood, 1988).

(2.15) Repeat steps 2.2–2.14 and carry on this way, until j reaches the EVO event, i.e. the end

of the closed cycle.

The calculations in this zone are similar to the ones during the compression phase.

(3.1) Calculate the initial internal energy E1 using its T1u relation and similarly for the

enthalpy h1 and heat capacity cv(T1u) of air.

(3.2) Calculate V1u from the gas state equation,

V1u ¼ wf tot w1u Rmol T1u =p1

P

where w1u ¼ biu are the total kmol in the unburned zone at state 1 per kmol of wf tot :

(3.3) Calculate the kmol of the various constituents. Total kmol in the unburned zone, at

state 2, per kmol of wf tot :

w2u ¼ ½watot zðmajs =Ma Þ=wf tot

where the air loss due to entrainment by the fuel sprays is, wloss ¼ w1u w2u :

Thus, the mixture composition is:

aiu ¼ biu ; for i ¼ 1; . . . ; 12 except 5 and 6

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1232 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

with

a5u ¼ b5u 0:21 wloss and a6u ¼ b6u 0:79 wloss

(3.4) Make a ﬁrst estimate of T2u considering isentropic change.

(3.5) Calculate the internal energy E2 using its T2u relation and similarly for the heat capacity

cv(T2u) of air.

(3.6) Calculate V2u from the gas state equation,

V2u ¼ wf tot w2u Rmol T2u =p2

(3.7) Calculate the work in the step, dW ¼ 0:5ðp1 þ p2 ÞðV2u V1u Þ

(3.8) Apply the ﬁrst law of thermodynamics for an open system:

f ðEÞ ¼ E2 E1 þ dW dQu þ wf tot wloss ‘1 ¼ 0

Solve this equation with respect to T2u using the Newton–Raphson numerical method, so that

a better estimate of T2u is found.

(3.9) Repeat steps 3.5–3.8 until the error f(E) in the ﬁrst law equation is negligible.

3.5. Calculations for mixing air and fuel in the spray zone

Before proceeding with calculations in the burning zone, it is necessary to compute the

isenthalpic mixing of the newly incoming air into the burning zone (Horlock and Winterbone,

1986).

(4.1) Find the new composition which results from mixing wgain (where wgain=wloss) kmol of

entrained air per kmol of wf tot ; taking also into account the addition of dmf b kg of fuel to be

burned in the time step:

bibmix ¼ bib ; for i ¼ 1; . . . ; 12 except 5; 6 and 7

with

b5bmix ¼ b5b þ 0:21 wgain ; b6bmix ¼ b6b þ 0:79 wgain

and

b7bmix ¼ b7b þ ðdmf b =Mf Þ=wf tot

(4.2) Calculate the partial pressure of oxygen at state 1 after mixing, which is needed in the

Whitehouse and Way (1969–70) burning model,

X

pO21 ¼ p1 ðb5bmix =w1bmix Þ with w1bmix ¼ bibmix

the total kmol in the burning zone at state 1 after mixing per kmol of wf tot

(4.3) Calculate enthalpy H1b for the content of the burning zone before the current input of

air, from its relation at the initial temperature T1b.

(4.4) Similarly, calculate enthalpy H1u of the newly entered air of temperature T1u.

(4.5) Estimate temperature T1bmix after mixing, in relation to the kmol:

T1bmix ¼ ðw1b T1b þ wgain T1u Þ=ðw1b þ wgain Þ

(4.6) Calculate enthalpy H1bmix and heat capacity cp ðT1bmix Þ of the burning zone after mixing,

from their T1bmix relations.

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DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1233

(4.7) Since isenthalpic mixing is assumed, it holds for the ﬁrst law:

f ðH Þ ¼ H1bmix H1b H1u ¼ 0

Solve this equation with respect to T1bmix using the Newton–Raphson numerical method, so

that a better estimate of T1bmix is found.

(4.8) Repeat steps 4.6 and 4.7 until the error f(H) in the ﬁrst law equation is negligible.

(4.9) Calculate the volume of the burning zone after mixing, using the perfect gas state

equation: V1bmix ¼ wftot w1bmix Rmol T1bmix =p1

Now we are in a position to eﬀect combustion calculations in the burning zone assuming that

fuel still exists, otherwise we have entered the ‘pure’ expansion phase. In the analysis the fuel is

neglected volumetrically and thermodynamically, apart from the quantity of fuel dmf b to be

burned in the time step, which is in the vapour phase.

(5.1) Calculate internal energy of the burning zone at state 1 after mixing, E1bmix ; from its T1bmix

relation.

(5.2) Estimate temperature T2b at the end of the time step (state 2), i.e. after combustion,

considering isentropic change:

T2b ¼ T1bmix ðp2 =p1 Þðg1Þ=g dmf b qvs =ðwf tot w1bmix cv Þ

where qvs is the lower heat of combustion of the fuel (J kg1) and cv ¼ Rmol =ðg 1Þ; with

g ¼ 1:35:

(5.3) Estimate the volume of the burning zone, using the gas state equation:

V2b ¼ wf tot w1bmix Rmol T2b =p2

(5.4) Calculate the mixture composition in the burning zone, considering chemical

equilibrium for all species apart from NO which is kinetically controlled. Solve by the method

of Way (1977), as described in the previous section.

(5.5) Calculate the internal energy E2b using its T2b relation and similarly for the heat capacity

cv(T2b) in state 2.

(5.6) Calculate the volume in state 2, using the gas state equation

V2b ¼ wf tot w2b Rmol T2b =p2

P

where w2b ¼ aib are the total kmol in the burning zone in state 2, per kmol of wf tot :

(5.7) Calculate the work dW1 in the time step, for a change from state 1 after mixing to state 2:

dW1 ¼ 0:5ðp1 þ p2 ÞðV2b V1bmix Þ:

(5.8) Apply the ﬁrst law of thermodynamics for a change from state 1 after mixing to state 2 (a

closed system is considered, since the addition of air has already been taken into account):

f ðEÞ ¼ ðE2b E1bmix Þ þ dW1 dQb ¼ 0:

Solve this equation with respect to T2b using the Newton–Raphson numerical method, so that

a better estimate of T2b is found.

(5.9) Repeat steps 5.4–5.8 until the error f(E) in the ﬁrst law equation is negligible.

(5.10) Calculate partial pressure of oxygen in state 2: pO22 ¼ p2 ða5b =w2b Þ:

(5.11) For a mean partial pressure of oxygen equal to 0:5ðpO21 þ pO22 Þ and for a mean

temperature of 0:5ðT1bmix þ T2b Þ apply the combustion sub-model and repeat steps 5.4–5.10 until

the error f(E) in the ﬁrst law equation is negligible.

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1234 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

(5.12) Compute the quantity of NO in the burning zone through the chemical kinetics scheme

described in a previous section, by solving the relevant diﬀerential equation for NO with a

fourth-order Runge–Kutta numerical scheme (Conte, 1965), using typically a sub-step of 1/20th

the main time step.

(5.13) Compute the net soot formed in the burning zone through the relevant diﬀerential

equations scheme described in a previous section, using a simple Euler scheme (McCracken and

Dorn, 1964; Conte, 1965).

(5.14) Finally, calculate the work for the total change from state 1 (before mixing) to state 2

since this is the real work produced: dW ¼ 0:5ðp1 þ p2 ÞðV2b V1b Þ:

Having calculated the states in the two zones at every time step, proceed to calculate the mean

state of these assuming isenthalpic mixing. Some quantities are directly calculated, such as the

heat loss dQ ¼ dQu þ dQb ; the work dW ¼ 0:5ðp1 þ p2 ÞðV2 V1 Þ and the mixture composition

X

ai ¼ aiu þ aib ; i ¼ 1; . . . ; 12 and w2 ¼ ai ¼ w2u þ w2b

Speciﬁcally, for calculating the mean temperature, follow the steps below:

(6.1) Calculate the enthalpy of the unburned zone H2u ; using its T2u relation. Similarly for the

enthalpy of the burning zone H2b :

(6.2) Make a ﬁrst estimate of temperature T2 ; in relation to the kmol of each zone: T2 ¼

ðT2u w2u þ T2b w2b Þ=w2 :

(6.3) Calculate enthalpy H2 and heat capacity cp(T2) for the mean state, using their T2

relations.

(6.4) The ﬁrst law for isenthalpic mixing reads: f ðH Þ ¼ H2 H2u H2b ¼ 0

Solve this equation with respect to T2 using the Newton–Raphson numerical method, so that

a better estimate of T2 is found.

(6.5) Repeat steps 6.3 and 6.4 until the error f(H) in the ﬁrst law equation is negligible.

Facilities to monitor and control engine variables such as engine speed, engine load, water and

lube-oil temperatures, fuel and air ﬂows, etc., are installed on a fully automated test bed, single

cylinder, water cooled, Ricardo–Cussons, ‘‘Hydra’’, experimental standard engine, located at

the ﬁrst author’s laboratory. This engine has the ability to operate on the Otto (spark-ignition)

or direct injection (DI) diesel or indirect injection (IDI) diesel, four-stroke principle, by

changing various parts of the crank gear mechanism, cylinder and head.

For the present investigation it is used as a naturally aspirated DI diesel engine, operating in a

rotational speed range of 1000–4500 rpm.

The engine main design characteristics are summarized below:

Piston stroke : 0.08890 m

Compression ratio : 19.81:1

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1235

Inlet valve closing : 428 ABDC

Exhaust valve opening : 608 BBDC

Exhaust valve closing : 128 ATDC

Swept volume : 0.450 l

The engine has a re-entrant bowl-in-piston combustion chamber, with an injector nozzle

having four holes, 0.25 mm diameter each, drilled symmetrically around its tip, forming a spray

cone angle of 1608. The diesel fuel injection pump is ﬁtted with an 11 mm diameter plunger. A

‘‘Bosch’’ injector body is used, which opens at a pressure of 250 bar. A range of 0–408 advance

(static) is provided.

The diesel fuel used has a speciﬁc gravity at 158C of 0.834, cetane number of 53, kinematic

viscosity at 208C of 2.95 mm2 s1 and lower caloriﬁc value of 43 100 kJ kg1.

The engine is mounted on a fully automated test bed and coupled to a ‘‘McClure’’ DC motoring

dynamometer, having load absorbing and motoring capabilities. There is one electric sensor for

speed and one for load (torque), the signal both of which are fed to indicators on the control

panel and to the controller. Via knobs on the control panel, the operator can set

the dynamometer to control speed or load. There is also a capability of setting automatically

the static injection timing from a switch on the control panel.

The coolant (water) and lube-oil circulation is achieved by electrically driven pumps, the

temperature being controlled by water fed heat exchangers. Heaters are used to maintain oil and

coolant temperatures during warm up and light load conditions. Thermocouples are located at

strategic points of the engine, with their indications shown on a multi-point electronic

temperature indicator. The engine exhaust system is connected to a shop made silencer system.

A shop made tank and ﬂowmeter system is used for fuel consumption measurements. A viscous

type, laminar ﬂowmeter is used for air ﬂow measurements.

The exhaust gas analysis consisted of a group of analysers for measuring soot (smoke), nitric

oxide (NO), total unburned hydrocarbons and carbon monoxide. The nitric oxide concentration

(in ppm) in the exhaust was measured by a ‘‘Signal’’ chemiluminescent analyser and was ﬁtted

with a thermostatically controlled heated line. The smoke level in the exhaust was measured

with a ‘‘Bosch’’ smoke opacimeter, the readings of which are provided as Bosch smoke units or

equivalent smoke density (mgrams of soot per cubic meter of exhaust gases).

For measuring the pressure in the cylinder, a ‘‘Kistler’’ miniature piezoelectric transducer is

used, ﬂush mounted to the cylinder head, and connected to a ‘‘Kistler’’ charge ampliﬁer.

Another ‘‘Kistler’’ transducer is connected on the injector side of the pipe connecting injection

pump and injector, to provide the fuel pressure signal. The signal from a ‘‘Tektronix’’ TDC

magnetic pick-up marker is used for time reference (Rakopoulos et al., 1998).

The output signals from the magnetic pick-up and the two piezoelectric transducers signals,

while they are continuously monitored on a dual beam ‘‘Tektronix’’ storage oscilloscope, are

connected to the input of a ‘‘Keithley’’ DAS-1801ST A/D board installed on an IBM

compatible Pentium III PC. This board can acquire input data at a total throughput rate of

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

1236 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

312.5 ksamples s1 from up to eight diﬀerential analogue inputs, also utilizing dual-channel

Direct Memory Access (DMA) operation. It is then appropriate for the recording of high

frequency engine signals, with the added advantage of high signal resolution (much less than

18C A, depending also on the number of simultaneous recorded signals). This high acquisition

rate capability also secures the nearly simultaneous sampling of all input signals.

Control of this high speed acquisition system is achieved by developing a computer code

based on the ‘‘TestPoint’’ control software (Rakopoulos and Mavropoulos, 1999). The resulted

program, specially designed for transient internal combustion engine applications, is an object-

oriented functional code. It allows the direct on-screen selection of the desired values of all

acquisition parameters, namely: engine type (two-stroke or four-stroke); engine speed (in rpm);

desired number of recorded cycles; selection of the acquired channels; sampling interval

(in 8C A).

After the selection of the above values, the resulting sampling rate per channel is displayed on

screen. When acquisition starts, data are initially stored in the computer’s memory. This secures

the continuous gap-free acquisition for the large amount of multi-channel input data. When the

desired amount of engine cycles is recorded, the data are transferred from the memory to a

corresponding ﬁle in the hard disk and directly displayed on-screen (as X–Y graphs). Special

warning signs and other secondary options are also available.

A comparison is made in this section between the measured values derived from the

experimental investigation and the ones calculated by the model, so that the model could

be tested performance- and emissionswise. To eﬀect comparison it was necessary to calibrate the

model, following a multi-parametric analysis of the various sub-model constants applied for all

engine operating conditions examined. The tactics followed consisted of the three steps stated

below:

(i) Determine the values of heat transfer correlation constants so that the theoretical and

experimental compression curves best match. The constants b and c are set at their most usual

values b=0.75 and c=3.4 108 W m2 K1 and then a is found as a=0.375. The temperature

of the cylinder walls Tw is taken equal to 450 K.

(ii) Determine the values of the combustion sub-model constants so that maximum

combustion pressure, indicated mean eﬀective pressure and NO concentration in the exhaust,

theoretical and experimental values, best match. The constants x, m, K0 and Ered are set at their

most usual values x=0.33, m=0.4, K0 =1.2 1010 K0.5 bar1deg1 and Ered=16 500 K and then

constant K is found as K=0.035 barm deg1.

(iii) Determine the constants in the net soot formation correlation so that exhaust soot

density, theoretical and experimental values, best match. The following values are found:

Asf=Asc=0.8 and the exponent of pressure in the soot formation equation n=2.5 is found to

better ﬁt the data, instead of the value 1.8 suggested in the original paper. The corresponding

activation energies are set at their usual values, i.e. Esf=30 000 and Esc=50000 kJ kmol1.

The eﬀect of the two major parameters of load and injection timing are examined in this

work, concerning both performance and exhaust emissions. Results are presented at an engine

speed of 2500 rpm, three loads corresponding to 40, 60 and 80% of full load and two static

injection timings of 15 and 208 crank angle before TDC.

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1237

Figures 1 and 2 show the calculated and experimental pressure (indicator) diagrams at 80% of

full load, at static injection timings of 15 and 208C A BTDC, respectively. In both cases, a very

good coincidence is observed between calculated and experimental values. As expected, the

pressure values during combustion are higher for the higher injection timing case (Heywood,

1988).

Figures 3 and 4 show the calculated temperature crank angle diagrams at 80% of full load, at

static injection timings of 15 and 208C A BTDC, respectively, as provided by the two-zone

model. Each of these diagrams gives the temperature history of the unburned (air) zone, the

burning (spray) zone and the mean state. It is observed a sudden increase in the temperature

of the burning zone with the initiation of combustion, while the temperature of the unburned

zone changes slightly. As expected, the temperature values in the burning zone during

combustion are higher for the higher injection timing case. The high temperatures of the

burning zone are mainly responsible for the formation of NO and soot (Horlock and

Winterbone, 1986).

Figure 5 shows the comparison of calculated and experimental loads, for the three loads and

the two static injection timings examined. A very satisfactory coincidence exists, with all points

lying very close to the bisectrix of the diagram. It is to be noted that in this and some ﬁgures to

follow, the three loads examined of 40, 60 and 80% of full load are expressed as indicated mean

eﬀective pressures, i.m.e.p. (in bar). The calculated i.m.e.p. are provided directly by the two-

zone model, while the available experimental brake torque values are ﬁrstly converted into

brake mean eﬀective pressures, b.m.e.p., and then expressed as i.m.e.p. values by addition of the

corresponding friction mean eﬀective pressures, f.m.e.p. (Heywood, 1988), which are provided

by the engine manufacturer.

80.00

LOAD= 80 %

ST. INJ.= -15 deg.

60.00

experimental

calculated

PRESSURE (bar)

40.00

20.00

0.00

CRANK ANGLE (deg.)

Figure 1. Calculated and experimental pressure (indicator) diagram, at 80% of full load and a static

injection timing of 158C A BTDC.

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1238 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

100.00

LOAD= 80%

80.00 ST. INJ.= -20 deg.

experimental

calculated

PRESSURE (bar)

60.00

40.00

20.00

0.00

CRANK ANGLE (deg.)

Figure 2. Calculated and experimental pressure (indicator) diagram, at 80% of full load and a static

injection timing of 208C A BTDC.

3000.00

LOAD = 80 %

unburned zone

ST. INJ. = -15 deg.

mean state

TEMPERATURE (K)

2000.00

1000.00

0.00

Figure 3. Calculated temperature of the unburned zone, the burning zone and the mean state versus crank

angle, at 80% of full load and a static injection timing of 158C A BTDC.

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1239

3000.00

LOAD = 80 %

unburned zone

ST. INJ. = -20 deg.

TEMPERATURE (K) mean state

2000.00

1000.00

0.00

CRANK ANGLE (deg.)

Figure 4. Calculated temperature of the unburned zone, the burning zone and the mean state versus crank

angle, at 80% of full load and a static injection timing of 208C A BTDC.

10.00

CALCULATED I.M.E.P. (bar)

8.00

6.00

4.00

EXPERIMENTAL I.M.E.P. (bar)

Figure 5. Comparison of calculated and experimental indicated mean eﬀective pressures, i.m.e.p.,

for the three loads examined of 40, 60 and 80% of full load and the two static injection timings of 15 and

208C A BTDC.

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1240 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

Figure 6 shows the calculated and experimental peak combustion pressures versus load, for

the two static injection timings examined. It can be observed a very good coincidence between

calculated and experimental values. As is well known for this kind of engines, the peak pressure

increases with either the increase in load or the injection timing (Watson and Janota, 1982).

Figure 7 shows the calculated and experimental indicated eﬃciency versus load, for the two

static injection timings examined. It is to be noted that the calculated indicated eﬃciency values

are provided directly by the two-zone model, while the available experimental (brake) fuel

consumption values are ﬁrstly converted into brake eﬃciency values (by also knowing the

experimental brake power and the fuel caloriﬁc value) and then expressed as indicated eﬃciency

from the direct analogy between brake and indicated values for load and eﬃciency (Ferguson,

1986). It can be observed a very good coincidence between calculated and experimental values.

As is well known, the indicated eﬃciency increases with decreasing load.

Figure 8 shows the NO concentration history (in ppm) calculated when considering chemical

equilibrium or chemical kinetics conditions, at 80% of full load and a static injection timing of

158C A BTDC. It is seen that when considering chemical kinetics, which is the correct case, the

maximum NO value is lower than the chemical equilibrium case and furthermore that it is

frozen at nearly this value during the expansion phase when temperature drops (Lavoie et al.,

1971).

Figure 9 shows the calculated NO concentration history (in ppm) for various loads and a

static injection timing of 158C A BTDC. It can be seen that NO formation values increase with

increasing load. This is expected since NO formation is favoured for near stoichiometric

conditions towards the lean side, which are approached by the higher loads in a diesel engine,

110.00

SPEED = 2500 rpm

PEAK PRESSURE (bar)

100.00

calculated , st. inj. -20 deg.

experimental , st. inj. -20 deg.

90.00

80.00

70.00

I.M.E.P. (bar)

Figure 6. Calculated and experimental peak combustion pressures versus load (expressed as i.m.e.p.), for

the two static injection timings examined.

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DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1241

60.00

56.00

experimental , st. inj. -15 deg.

calculated , st. inj. -20 deg.

experimental , st. inj. -20 deg.

52.00

48.00

44.00

I.M.E.P. (bar)

Figure 7. Calculated and experimental indicated eﬃciency versus load (expressed as i.m.e.p.), for the two

static injection timings examined.

2000.00

LOAD = 80 %

1600.00 ST. INJ. = -15 deg. chemical equilibrium

1200.00

NO (ppm)

800.00

400.00

0.00

CRANK ANGLE (deg.)

Figure 8. Nitric oxide (NO) concentration history calculated when considering chemical equilibrium or

chemical kinetics conditions, at 80% of full load and a static injection timing of 158C A BTDC.

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

1242 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

1000. 00

ST. INJ. = -15 deg.

800.00

LOAD = 40 %

LOAD = 60 %

600.00 LOAD = 80 %

NO (ppm)

400.00

200.00

0.00

CRANK ANGLE (deg.)

Figure 9. Calculated nitric oxide (NO) concentration history, for the three loads of 40, 60 and 80% of full

load and a static injection timing of 158C A BTDC.

and high temperatures (Benson and Whitehouse, 1979). The latter ones are higher the higher the

load.

Figure 10 shows the comparison of calculated and experimental nitric oxide concentration

values at the exhaust, for the three loads and the two static injection timings examined. A very

satisfactory coincidence is observed between calculated and experimental values. As expected,

the NO values increase with increasing load, due to approaching stoichiometric conditions and

getting higher temperatures. By the same token, the NO values are higher for the higher

injection timing case, since then temperatures in the cylinder are higher as seen in Figures 3

and 4 (Khan et al., 1971).

Figure 11 shows the calculated soot density history (in mg m3) for various loads and a static

injection timing of 158C A BTDC. It can be seen that soot density values increase with

increasing load. This is expected since soot formation is favoured under pyrolysis conditions, i.e.

at rich conditions and high temperatures which are approached by the higher loads (Khan et al.,

1972). During the expansion phase, the soot density values fall sharply due to the end of soot

formation and the increase of the total cylinder volume.

Figure 12 shows the comparison of calculated and experimental soot density values at the

exhaust, for the three loads and the two static injection timings examined. A very satisfactory

coincidence is observed between calculated and experimental values. As expected, the values

increase with increasing load, due to approaching richer conditions and getting higher

temperatures. The soot values are lower for the higher injection timing case, since then the

higher temperatures involved in the cylinder have a higher impact on the soot oxidation than

formation (Watson and Janota, 1982).

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1243

3000.00

SPEED = 2500 rpm

calculated , st. inj. -15 deg.

2000.00

experimental , st. inj. -15 deg.

NO (ppm)

1000.00

0.00

I.M.E.P. (bar)

Figure 10. Calculated and experimental exhaust nitric oxide (NO) concentration values versus load

(expressed as i.m.e.p.), for the two static injection timings examined.

1200. 00

ST. INJ. = -15 deg.

LOAD = 60 %

LOAD = 80 %

800.00

SOOT (mg/m**3)

400.00

0.00

CRANK ANGLE (deg.)

Figure 11. Calculated soot density history, for the three loads of 40, 60 and 80% of full load and a static

injection timing of 158C A BTDC.

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

1244 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

160.00

calculated , st. inj. -15 deg.

120.00

SOOT (mg/m**3 ) experimental , st. inj. -15 deg.

calculated , st. inj. -20 deg.

experimental , st. inj. -20 deg.

80.00

40.00

0.00

I.M.E.P. (bar)

Figure 12. Calculated and experimental exhaust soot density values versus load (expressed as i.m.e.p.), for

the two static injection timings examined.

5000. 00

HEAT TRANSFER COEFFICIENT (W/m**2/K)

ST. INJ.= -15 deg.

LOAD= 60 %

4000. 00

LOAD= 80 %

3000. 00

2000. 00

1000. 00

0.00

CRANK ANGLE (deg.)

Figure 13. Calculated gas heat transfer coeﬃcient versus crank angle, for the three loads of 40, 60 and 80%

of full load and a static injection timing of 158C A BTDC.

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1245

20.00

LOAD = 80%

ST. INJ. = -15 deg.

16.00

12.00

injected

8.00 prepared

reacted

burned

4.00

0.00

CRANK ANGLE (deg.)

Figure 14. Calculated cumulative fuel injected, prepared, reacted and burned versus crank angle, at 80%

of full load and a static injection timing of 158C A BTDC.

Figure 13 shows the variation with crank angle of calculated gas heat transfer coeﬃcient

in the cylinder, for various loads and a static injection timing of 158C A BTDC. As

expected, heat transfer coeﬃcients become very high during the combustion period. They

increase with increasing load, due to higher temperatures in the cylinder (Benson and

Whitehouse, 1979).

Figure 14 gives a sample example of the calculated cumulative fuel injected, prepared, reacted

and burned as a function of crank angle, at 80% of full load and static injection timing of

158C A BTDC. This picture follows closely the description of the fuel burning sub-model

(Whitehouse and Way, 1969–70) exposed in a previous section.

6. CONCLUSIONS

developed. Emphasis is given to including most of the processes taking place in the cylinder

during the closed cycle and to describing as many as possible of these processes by correct

modelling of physical laws.

An extended experimental investigation is carried out on a fully automated test bed, Ricardo-

Hydra standard, DI diesel engine, located at the authors’ laboratory, in order to generate a

performance and emissions data base that can be used for validation tests of this model.

The two-zone model proposed proves to be very eﬀective in predicting the engine

performance and exhaust emissions. Speciﬁcally, the eﬀect of the two major operating

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

1246 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

parameters of load and injection timing upon cylinder pressures, eﬃciency, NO and soot

concentration values is well veriﬁed for a wide spectrum of variation of these parameters.

It is important to note that the same values of the set of calibration constants of the various

sub-models are used here for all conditions examined, performance- and emissionwise, following

a judicious multi-parametric analysis for their optimum choice.

It is concluded that the analysis model used here predicts the performance and emission

aspects of a DI diesel engine with success and in a theoretically sound way, thus forming a

serious rival to its multi-zone counterpart due to the much lower computer time cost and eﬀort

needed by it.

NOMENCLATURE

ai =number of kmol of species i, at the end of time step, per kmol of fuel to be

injected totally in the cycle

AFR =air–fuel ratio (by mass)

bi =number of kmol of species i, at the beginning of time step, per kmol of fuel to

be injected totally in the cycle

cp =molar speciﬁc heat capacity under constant pressure (J kmol1 K1)

cv =molar speciﬁc heat capacity under constant volume (J kmol1 K1)

D =cylinder diameter (m)

DN =injector nozzle hole diameter (m)

E =internal energy, (J), or activation energy (J kmol1)

Ered =reduced activation energy (K)

F =surface (m2)

h =speciﬁc enthalpy (J kg1)

H =enthalpy (J)

kf =forward reaction rate constant

Kp =chemical equilibrium constant

m =mass (kg)

M =molecular weight (kg kmol1)

N =engine rotational speed (rpm)

p =pressure (Pa)

Q =heat (J)

Ri =one-way equilibrium rate for reaction i

Rmol =universal gas constant, 8314.3 (J kmol1 K1)

Rs =swirl ratio

t =time (s)

T =absolute temperature (K)

u =spray velocity (ms1)

V =volume (m3)

w =number of kmol of cylinder charge or of the contents of each zone, per kmol

of fuel to be injected totally in the cycle

watot =total kmol of air trapped in the cylinder

wf tot =total kmol of fuel to be injected in the cycle

W =work (J)

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

DEVELOPMENT AND VALIDATION OF A COMPREHENSIVE TWO-ZONE MODEL 1247

z =number of injector nozzle holes

Greek letters

Dp =pressure drop (Pa)

Dj =crank angle computational step (deg)

Djinj =duration of fuel injection (8C A)

y =spray angle (rad)

r =density (kg m3)

j =crank angle (deg)

Superscripts

} =mean value

=time derivative

Subscripts

a =air

b =burning zone

br =spray break-up

e =chemical equilibrium

f =fuel

g =gas

i =species number

inj =injected

j =spray number

‘ =liquid fuel

mix =state at the beginning of time step after mixing

O2 =oxygen

s =swirl

sc =soot oxidized

sf =soot formed

sn =soot net

spr =spray

t =spray tail

tot =total

u =unburned zone

up =unprepared

w =wall

0 =initial value

1 =state at the beginning of time step

2 =state at the end of time step

Copyright # 2003 John Wiley & Sons, Ltd. Int. J. Energy Res. 2003; 27:1221–1249

1248 C. D. RAKOPOULOS, D. C. RAKOPOULOS AND D. C. KYRITSIS

Abbreviations

A =after

B =before

BDC =bottom dead centre

EVO =exhaust valve opening

IVC =inlet valve closing

i.m.e.p. =indicated mean eﬀective pressure

rpm =revolutions per minute

TDC =top dead centre

8C A =degree of crank angle

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