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SAE TECHNICAL

SERIES
PAPER

2003-01 -1 090

Numerical Analysis of Auto Ignition and

Combustion of n-Butane and Air Mixture in the

Homogeneous Charge Compression Ignition

Engine by Using Elementary Reactions
Yudai Yamasaki and Norimasa lida

KElO University

Reprinted From: Homogeneous Charge Compression Ignition

(HCCI) Combustion 2003
(SP-1742)

2003 SAE World Congress

Detroit, Michigan
March 3-6, 2003
400 Commonwealth Drive, Warrendale, PA 15096-0001 U.S.A. Tel: (724) 776-4841 Fax:(724)776-5760 Web: www.sae.org

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2003-01-1090

Numerical Analysis of Auto Ignition and Combustion of

n-Butane and Air Mixture in the Homogeneous Charge
Compression Ignition Engine by Using Elementary Reactions
Yudai Yamasaki and Norimasa Iida
KEIO University

Copyright 2003 SAE International

ABSTRACT

INTRODUCTION

The combustion mechanism of the homogeneous

charge compression ignition (HCCI) engine has been
investigated by numerical calculations. Calculations
were carried out using n-butane/air elementary reactions
at 0 dimension and adiabatic condition to simplify the
understanding of chemical reaction mechanisms in the
HCCI engine without complexities of walls, crevices, and
mixture inhomogeneities.

The HCCI engine is expected to take over in place of the

conventional internal combustion engine due to its
potential to realize high efficiency, low NOx and low
particulate emissions.
But the HCCI engine is not

n-Butane is the fuel with the smallest carbon number in

Experimental studies were carried out to understand

basic properties of auto-ignition and combustion of the
HCCI engine [1]-[7] EGR was needed and was an
effective factor in controlling auto-ignition in the 4 stroke
HCCI engine [1][2]. Supercharging increases IMEP and
the lean limit of HCCI operation [3][4]. Appearance
timing of heat release with LTR and HTR occurred at
almost constant gas temperature without equivalence
ratio and initial temperature changes [5]. Auto-ignition
timing also can be controlled by a proportion of di-methvl
ether and methanol reformed gas [6]. The basic
properties of ignition and combustion of the HCCI engine
were clarified by these researches.

the alkane family that shows two-stage auto-ignition,

heat release with low temperature reaction (LTR) and
high temperature reaction (HTR), similar to higher
hydrocarbons such as gasoline at HCCI combustion.
The CHEMKIN II code, SENKIN and kojima's n-butane
elementary reaction scheme were used for the
calculations.

This paper consists of three main topics. First, the heat

release mechanisms of the HCCI engine were
investigated. The results show that heat release with
LTR is HCHO oxidation reactions.

Heat release with

HTR can be separated into two stages. In the first stage

of heat release by HTR is the oxidation of HCHO in the
same way as for LTR, in the later part are OH + H02 =
02 + H20 and CO-oxidation reactions. Second, the

control factor of combustion speed was investigated for

various EGR ratios and equivalence ratios. Dilution by
EGR and air (equivalence ration change) had the same
influence on combustion speed. It was clarified that
combustion speed was dominated largely by fuel mass.
Third,

HC and CO emissions mechanism and/or

ensuring of high thermal efficiency were investigated.

The results show that it is necessary to prepare the
engine operation condition so that the maximum
temperature of the cycle is over 1500K in order to get
low HC and CO emissions and/or high thermal efficiency.

perfect. Problems of the HCCI engine are difficulty of

controlling ignition timing, too rapid combustion speed,

high hydrocarbon (HC) and high carbon monoxide (CO)
and low combustion efficiency.

Najt and Foster run a 4 stroke HCCI engine, and

analyzed auto-ignition and combustion process depend
largely on chemical reaction [7],Therefore
understanding chemical reactions is needed to control
auto-ignition and combustion.
Auto-ignition and
combustion processes are able to be analyzed from the
viewpoint of chemical reactions due to the recent
development of analytical tools. There are some
methods to analyze the HCCI engine from the viewpoint
of chemical reactions. For reaction models, there are

reduced chemical kinetic models [8]-[10] and detailed

models [11]-[15]. For calculation model, there are zero
dimension models
[16]-[19] and multi dimension models
[20]-[26]. Reduced models are excellent at predicting
auto-ignition timing and adaptability to multi dimensional
calculation models, but they are insufficient in evaluating
chemical detailed reaction processes. Detailed models

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have opposite* properties of reduced model.

Zero
dimension calculation is assuming that the combustion
chamber is uniform, and that there are no temperature
and fuel concentration gradients.
This calculation
method includes over predict of peak of in-cylinder gas
pressure and heat release rate [1G]{17], However, incylinder temperature and fuel concentration are actually
non-uniform, These non-urn form, ties do not necessarily
affect auto-ignition and combust ran. M a g n u s reported
ihaf the niston inn land nenmfitry j-iffpr/rrH emissions in

the experiment [27]. Multioimensional models can

analyze effects of these non-uniformities on auto-ignition
and combustion. It is thought to be helpful especially in
dealing with the analysis of the direct injection H C C I
engine and emissions from the prston crevice, At tire
s a m e time, the twist of minimizing calculation costs is
carried out with detailed chemical kinetics and multi
dimensional models. The results of -hefluidmechanics
code were processed to create temperature histories
that were then fed into the chemical kinetics code.
Maximum
pressure,
combustion
duration
and
combustion efficiency were predicted within an error of
3 % by exoerimenting with such a crccedure [24j.
Each method has strong and weak points; in this study,
zero dimensional calculations with a detailed chemica.
kinetic are carried out to clarify the chemical reaction
mechanism of the H C C I engine. This is because zero
dimensional calculation Is a selected one point of niuili
dimensional calculation and it is thought that
unde-stancing a selectee point eacs to understanding

auto-ignition and combustion of the whole combustion

chamber, in addition, detailed chemical kinetics works
on understanding chemical reactions in the combustion
chamber of the H C C I without complexities of walls,
crevices and mixture In homogeneities.
n-Butane w a s selected as fuel since it is the simplest of
the hydrocarbons that shows two-stage auto-ignition
(heat release with low temperature reaction (LTR) and
!
,*,/ith hinn tom*"\rar:-iiii ra rapr^nn I'HTR'!'' similar to hicher
hydrocarbons such as gasoline. The oxidation process
of auto-ignition w a s calculated by the C H E M K I N II code
and S E N K I N [28][29] assuming zero dimension and
adiabatie change. Kojima's rvButane reaction s c h e m e
(141 species and 470 reactions) [12][30] w a s used.
Ignition delay under shock tube-like conditions of this
s c h e m e showed good agreement with experiments
[31JI32] and showed two-stage igrvlion under engine
conditions. Also, it could relatively replicate the effects of
the equivalence ratio, the initial temperature and the
initial pressure on the ignition celay, and the peak value
of heat release rate. But the absolute value of ignition
delay and, the m a x i m u m value of the rate of heat
release could not be predicted, as shown in our previous
work [16].
Jn this paper, the objectives are 1) to clarify the heat
re'ease mechanism of auto-ignition and combustion. 2}
to understand the control factor of corn bus! ion and 3) to
clarify H C and C O emission mechanisms from the
v ewpoTvt of chomica'- reaotion and effective techniques

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to reduce H C and C O emissions and/or ensuring high

thermal efficiency at 4 stroke H C C I engine condition by
zero-dimensional calculation with a detailed chemical
kinetics. The following section summarizes the reaction
mechanism of n-butane. Next, the results are presented
an;;: discussed in three parts corresponding to the three
topics of this study. In the final section. conclusions are
drawn.

REACTION MECHANISM
In this section, the reaction mechanism Is explained to
helpinthe understanding of the calculation results.
The wel-known basic concept of the n-Butane oxidation
process [12][33][34] iss u m m a r i z e din Figure 1. The
vertical axis shows energy, and the activation energies
are quoted from kojima's scheme [12]. L T R begins with
the breakage of the secondary C-H bond of n-Butanc,
the energy of which is a few k,localories less than other
similar O H bones [35]. Next, 0 2 attaches to a C atom
in place of the abstracted H atom, forming C 4 H 9 0 2 (1st
0 2 addition)

The equilibrium constant for reaction 1 is strongly

temperature dependent and is strongly in favor of
C 4 H 9 0 2 at low temperatures, shifting toward C 4 H 9 +
02,
C 4 H 9 0 2 as temperature increases. C 4 H 9 0 2
radical isomerize to preduce a C 4 H 8 0 0 H radical.

then, C 4 H 8 0 0 H reacts as the followings;

dissociation and the O H radical stops to generate. This

shift with hydrocarbon fuels occurs at temperatures near
850K. This equilibrium system gives rise to the negative
temperature coefficient region
At temperatures

above

850K, the O H

radical is

, providingtemperatures
the chain branching as
Reaction (4) is the main generated
path fromatH 2 0 2low
because its activation energy is smaller than reaction (3).
follows,

Reaction (4) is temperature dependent and is strongly in

favor of 0 2 C 4 H 8 0 0 H at tow temperatures, shifting
toward C 4 H 8 Q O H + 0 2 as temperature increases. The
CJ2C4H800H
racical isomerizes to produce a
C H 3 C O ( C H O O H ) C H 3 and an O H radical.

A subsequent isomerization reaction gives rise to

produce C H 3 ( C O ) ( C H O ) C H 3 and an O H radical

where M is a third body, the reaction (7) produce two O H

radicals. providing chain branching.
At temperatures above 12GGK, after H abstraction, C-C
bonds are broken and the n- butane is broken into lighter
hydrocarbons and subsequently oxidized.

RESULTS A N D DISCUSSION
These branching reactions increase the O H radical.
This branched, low temperature oxidation phase
continues until the temperature has increased enough
so that equilibrium in the 1st 0 2 addition and In the 2nd
0 2 , addition reactions ;'1) and (4), begin to shift toward

Calculations with using kojima's scheme were earned

out for the assuming 4 stroke engine, the geometry of
which is shown in Table1.

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HEAT RELEASE MECHANISM

In this section, the chemical species concentration
profile and the heat release mechanism at auto-ignition
and the combustion process are explained.
chemical Species Concentration Profile
Figure 2 shows the pressure profile, temperature profile
and rate of heat release profile at the condition =0.5,
initial pressure P 0 =0.1MPa, initial temperature T 0 =293K
and engine speed 800rpm. This heat release shape is
that of the typical two-stage auto-ignition of n-Butane/Air.
Figure 3 shows the molar fractions of chemical species
at the same conation as Figure 2. C 4 H 9 0 2 and
C 4 H 9 0 4 generated by LTR increase up to a m a x i m u m
and then decrease rapidly. Between the LTR and H T R
regimes, the abundance of the two species remains
almost constant.
The abundances
decrease
immediately upon the heat release associated with HTR...
H C H O , which influences auto-ignition timing [36],
increases up to the time of m a x i m u m LTR heat release,
after which it remains constant. Heat release by H T R
can be separated into two stages. H 2 0 2 decreases
upon the start of neat release In the first stage of H T R ,
and O H increases rapidly; these behaviors being shown
reaction (7) noted previously,. C O , its high emission one
of the problems of the HCCI engine, increases up to the
time of m a x i m u m heat release by HTR. Then, it

decreases rapidly in the later stage of heat release with

HTR,
Heat Release of Elementary Reactions
Figure 4 shows the rate of heat release of elementary
reactions that release larger amounts of heat by LI R.
and HTR. under the same conditions as those shown in
Figures 2 and 3. the results demonstrate that heat
release by LTR is dominated by H C H O oxidation
reactions. Heat release by HTR. can be separated into
two stages. in the first stage of H T R . exothermic,
reactions involved the oxidation of H C H O in the same
way as for LTR, and endothermic reactions involved the
decomposition of H 2 0 2 and C H O by athirdagent. Too
heat release in the first part of H T R is suitable for blueflame combustion, whereas in the later part of HTR,
exothermic reactions are O H + H 0 2 = 0 2 + H 2 0 and
C O - o x i d a l o n reactions.

CONTROL FACTOR OF COMBUSTION SPEED

In this section, the influence of dilution oy L G R a n d that
of lean b y air (equivalence ration c h a n g e ) o n combustion
s p e e d are investigated.

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Dilution by H O T E G R
The efiect of dilution by H O T E G R on reaction speed
w a s investigated.
The following is the on leu fat ion
procedure with E G R gas.
1. O n e compression / expansion cycle is calculated
under tne condition that the fresh mixture composition is
n-butane: 0 2 : N2: AR: 0 0 2 : H 2 0 - 0.313: 0.2034:
n 7^6- 0 nriQ? n nnn- n nnn (equivalence ratio o=l.C).
initial temperature T 0 being 450K and iho initial pressure
P c being O.IMPa,
2. After exhaust valve open timing,, the burned mixture
is expanded to atmospheric pressure at constant speed.
The temperature of the mixture at thai timing is defined
as the temperature of E G R . E G R gas is composed of
N2. AR. C 0 2 and H 2 0 . The E G R ra:io is cef:ned by the
volume of EGR. gas to the displacement volume.
3. In the next cycle, the fresh mixture's equivalence
ratio and temperature are the s a m e as in the former
cyc^e (c=1.C. T.v - 450K). The irntiai temperature of the
next cycle is calculated by the enthalpy of fresh mixture,
enthalpy of E G R and the E G R ratio. At the s a m e time,
the mixture component for the start of compression :n
the next cycle is calculated from the E G R ratio and the
E G R component.
Figure 5 shows pressure profiles and temperature
profiles at various H O T E G R ratios.
The tmtiai

temperature increased from 450K to 1367K as the E G R

ratio increased, ignition timings were advanced and
m a x i m u m pressure of the cyce decreased. Combustion
efficiencies were 1 0 0 % under any H O T EGR. condition.
Under the conditions o=1.0, H O T E G R = 0 % and m u c h
higher initial temperatures, these conditions are not.
realistic and the engine probably will not be able to run
for knocking.
However, calculations under these
conditions facilitate the understanding of auto-ignition
and the combustion mechanism. Therefore, analysis
were earned out under these conditions.
Figure 6 shows the rate of heat release profiles for
various H O T E G R ratios, A s the H O T E G R ratio
increased, the m a x i m u m rate of heat release decreased.
Figure 7 s h o w s the influence of H O T E G R on the
m a x i m u m rate of heat release per fuel unit mass. First,
the following is an explanation of the horizontal axis. At
any H O T E G R ratio, the supplied fresh mixture's
equivalence ratio is constant at 1.0. Fuel m a s s trapped
in the combustion chamber at the E G R ratio 0 % is
defined as mfuel =1.0, and mfuel^ describes fuel m a s s
traopeci in the combustion chamber a! any E G R ratio.
The horizontal axis rnfuel / rnfuel =1.0 shows fuel m a s s ratio
trapped in combustion chamber. The H O T E G R ratio is
higher -o the left o: the axis. Whereas, the vertical axis.
R.H.Rn,;./ mri,H, is the m a x i m u m rate of heal release per
fuel m a s s trapped in the combustion chamber. It is
defined as the index of combustion speed. A s ine
mixture is diluted by H O T E G R . the trapped fuel m a s s in

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the combustion chamber Decreases and therefore the

c o m bust ion speed decreases..
i e a n by A i r (equivalence ra ti o, en a no e}
Next, the influence of lean by air (equ valence ^at;o
change) on combustion speed w a s investigated. Figure
8 shows the pressure and temperature profiles for
various equivalence ratios. Ignition i; mi rigs were almost

constant for any equivalence ratio. A s the equivalence

ratio Decreased, the m a x i m u m pressure Decreased.
Combustion efficiencies were 1 0 0 % under any
equivalence ratio condition. Figure 9 shows inf-jence o'
the equivalence ratio on the m a x i m u m rate of heat
release per fuel m a s s trapped. The horizontal axis

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defined as ni:Jfv :-: as it die fc EGR-Oic.

m. .,
describes trapped fuel m a s s at any equivalence ratio.
The equivalence raho is lower to the left side of this
graph, the vertical nx;s shows the inoex of oombusiion
speed as ft did for Figure 7. As the equivalence ratio
gets iower, the trapper: :uei mass in the combustion
chamber decreases and the combustion speed
decreases. The eTect nf dilution by E G R and lean by air
(equivalence ratio change.) is cor?ipareel, Figure 10 is a
combined form of Figure 7 and Figure 9 with an addition
of C O L D E G R data, this figure conduces taat there s
no distinction between the efleets of c'ilutfon by E G R and
lean by air on the index of combustion speed, Only
trapped fuel m a s s dominates the cornhusCon speed, it
is clarified that dilution by F G R and lean by air have an
equivalent effect (no effect of 0 2 concentration) on
avoiding m u c h rapid combustion in the H O C I engine,
there is no effect
Figure 11 shows the effect of supplied fuel m a s s on the
chemical reaction process. This figure straws pressure
profiles, temperature profiles, rate of heat release
profiles, reaction rates and chemical species profiles at
equivalence ratios of 0.1, 0.2 ana 0.4, A toe to the 4th
figure shows the reaction rales of characteristic
reactions a! different temperature ranges; S-C4H9 + 0 2
C 4 H 9 0 2 at a low temperature range, H 2 0 2 + M O H + O H + M at a middle temperature range, n C 4 H 9
C 2 H 4 + C 2 H 5 at a high temperature range. Reaction
rates of n C 4 H 9 * C 2 H 4 + C 2 H 5 and H 2 0 2 + M O H
+ O H + M increased as the equivalence ratio increased.
The fuel decreased in a groove and heat release with
H T R occurred under any condition.
As I he fuel
decreased. C O w a s generated. As C O w a s consumed,
heat release occurred sn6 002 w a s generated. The C O
consumption rate for crank angle increased as the
equivalence ratio increased. C 2 H 5 . which provrciec an
indication of breaking into lighter hydrocarbons in H T R
had the s a m e generations and consumption pattern as
C O . O H , which is a chain carrier, increased and w a s
generated faster as the equivalence ratio increased.
;_ower reaction speed of C O oxidation was conductive to
combustion speed, because the C O oxidation reaction
corninates heat release with HTR.
Though lower
reaction speed of initiation reaction (n-C4H9 > C 2 H 4 +
C 2 H 5 ) hindered temperature rising speed and C O
oxidation speed was lower, there w a s no ciistincton
between influences of H O T E G R
change and
equivalence ratio change on combustion speed. II s
thought that the trapped fuel m a s s dominates all interim
reactions of H T R speed
Therefore, the combustion
speed of H""R can be denied by only n e trapped 'JGI
mass, regardless
with
02
concentration
and
temperature under the conditions that combustion
efficiencies are 1 0 0 % .
H C A N D C O EMISSION M E C H A N I S M

shows trie fuel m a s s ratio as it did foi dilution by H O T

E G R . Fuel m a s s at 'he equivalence ratio of 1.0 "s

In this section, the H O and C O emission mechanism is

clarified from tne viewpoint of one mica I reactions without
in in king of the effect of crevice. Analysis of emissions

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w a s carried out for various equivalence rates and initia'

temperatures.
Figure 12 shows combustion efficiency, m a x i m u m
temperature and m a x i m u m pressure of IIic cycle, H C ,
C O and C 0 2 concentrations for various equivalence
ratios at the compression ratio of 16.1. intake
temperature of 297 Kr engine speed 800 rpm in
experiment in addition. H O w a s measurea by FID and
C O and C 0 2 were measured by NDIR. Under trie
equivalence ratio of 0.1, heat release did not occur, H C
increases and C O w a s 0 as the equivalence ratio
increased.. Between equivalence ratios 0.1 and 0.23,
uriiy heat ieiease wiih L T R occurred, H C decreasec ana
C O increased as the equivalence ratio increased. At
much higher equivalence ratios, heat release with H T R
occurred and both H C and C O decreased. Combustion
efficiency increased as the equivalence ratio increased,
except between equivalence ratios 0.12 and 0.23:
combustion efficiency w a s constant under this condition.
At m a x i m u m temperature, pressure increased as the
equivalence ratio increased. Figure 1-3 shows the rate of
heat release profile for vanous equivalence ratios in
calculation. A: the equiva!ence ratio of 0.3, heat release
did not occur. At equivalence ratios up to 0.4, oniy heat
release with L T R occurred. At m u c h rug her equivalence
ratios, heat release w.t.n L T R and H T R oecurree.
The
behavior of the rrde of the heat release for the
equivalence ratio change in calcifation w a s the s a m e as
that in experiment j5]. Figure 14 shows the temperature
pressure diagram in calculation..
The combustion
efficiency and .maximum temperature and pressure of
[he cycle increased as the equivalence ratio increased.
K is clarified that combustion efficiency is ensured to be

over 9 0 % as the temperature in a cycle experiences

over 1500K regardless of m a x i m u m pressure.
Figure 15 shows H C . C O and C 0 2 concentratens in
emissions for various equivalence ratios in calculations.
H C includes all species but C O . 0 2 . C 0 2 , N 2 and AR.

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increased.
Under =0.41. heat release witn L T R
occurred, H C decreased and C O increased. At much
higher equivalence ratios, heat release with H T R
occurred, and both H C and C O decreased. The s a m e
behavior of emissions in experiment w a s shown in
Figure 12,

Under -0.35. heat release did not occur, H C increased

and C O remained constant as the equivalence ratio

For the analysis of the H C . C O and C 0 2 emissions

mechanism, pressure profiles, temperature profiles, rate
of heat release profiles and main chemical species mole
concentrations profiles in o "0.4 (oniy heat release with
LTR) and = 0.5 (heat release with LTR and H T R ) arc
shown in Figure 16. n-butane decreased to about 1/4 at
neat release with LTR under both conditions. After that,
at =0.5. it decreased rapidly at heat release with HTR.
H 2 O 2 had a peak value and decreases rapidly at =0.5,
but it did not decrease at = 0.4. O H increased rapidly
in proportion to the H 2 O 2 decreased at -0.5, but at 6
=0.4, it hardly generated at all. C O w a s generated at
heat release with L T R under both conditions.. At heat
release with only LTR,itw a s constantafterthat. At heat
release with H T R , C O w a s generated at the liming of
heat release appearance with H T R , and it decreased
rapidly at tne latter part of heat release with HTR. C 0 2
did not be generated at heat release with t TR; it
mcreased rapidly at the latter part of heat release with
HIR, when C O decreased rapidly.. Figures 17 and 18
show reaction rates of S-C4H9 + 0 2 C 4 H 9 0 2 , H202
+ M OH +OH +M, n-C4H9 C2H4 C2H5 under
both conditions. At = 0.5, these reactions occurred
certainly depending on temperatere. O n the other hand,
at = 0.4, reactions at low temperature occurred, but
reaction at the middle temperature region. H 2 0 2 + M

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OH +OH +M did not follow i t So, OH did not generate.

The activation energy of decomposition of H202 is
190KJ/mol; conditions under much higher temperatures
are needed for this reaction to occur. At $ = OA the
condition was not ensured and the reaction breezed,
because the expression process proceeded.
In the HCCI engine, ignition does not necessarily to
generate final products different from the S,L engine. To
induce heat release with HTR in order to ensure high
combustion efficiency, it is thought to be important to
ensure higher temperatures so that the decomposition
reaction of H202 to OH occurs.
CO emission and combustion efficiency are thought to
be closely related to temperature. So, next, emission
characteristics are investigated for various initial
temperatures. Figure 19 shows temperature profiles for
various initial temperatures. Shapes of heat release and
combustion efficiencies r\comb are shown in this figure. At
initial temperature 293K, heat release did not occur and
combustion efficiency is 0%. As the initial temperature
was increased to 328K, heat release occurred and
combustion efficiency was 66%. At 353K, larger heat
release occurred and combustion efficiency was 98%.
As the initial temperature increased, maximum
temperature of the cycle increased.

Figure 20 shows the relationship between the maximum

temperature of the cycle, combustion efficiency and
initial temperature. It is clarified that the maximum
temperature of the cycle increased as the initial
temperature increased, HC and CO emissions were
almost 0 and combustion efficiency was over 90% as the
equivalence ratio changest if the maximum temperature
of the cycle was over 1500K. Maximum temperature is
thought to be an index of combustion efficiency. Figure
21 shows the relationship between maximum
temperature of the cycle at various initial temperatures
and HC, CO and C02 emissions and combustion
efficiency.
As combustion efficiency and maximum
temperature increased, HC decreased and C02
increased, and CO increased once and after that
decreased. Under the condition that the maximum
temperature of the cycle was over 1500K, CO was
almost 0 and the combustion efficiency was over 90%.
From the results of equivalence ratio change and initial
temperature change, the necessary condition to keep
high combustion efficiency and/or to reduce both IIC
and CO emissions is that in which the maximum
temperature is more than 1500K in a combustion cycle
by any methods. HC and CO emissions from the actual
HCCI engine are thought to be caused from the leaner
region and/or lower temperature region such as crevice,
where H202 cannot decompose to OH radicals.
In Figure 21, combustion efficiencies at initial
temperature 328K for every 1% of HOT EGR 0-5% are
shown. As HOT EGR increased, maximum temperature
of the cycle increased and combustion efficiency
increased. HOT EGR supplies enthalpy to the next
cycle to ensure higher combustion efficiency and to
reduce emission.
In addition, as mentioned in the
previous section, it can control reaction speed.
Therefore, HOT EGR is indicated to be an effective
method in to controlling auto-ignition and combustion in
the HCCI engine.

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CONCLUSIONS

REFERENCES

Numerical analysis with n-butane elementary reactions

has been carried out to clarify three fundamental
aspects of the HCCI engine under the condition
assumed 0 dimension and adiabatic condition, including:
1) an investigation of the heat release mechanism of
auto-ignition and the combustion process, 2) an
investigation of control factor of the combustion speed,
and 3) an investigation of the HC and CO emission
mechanism and/or the ensurance of high thermal

1 Thring, R. H., "Homogeneous Charge Compression

Ignition (HCCI) Engines", SAE Paper 892088, 1989
2.Thomas W. Ryan III and Timothy J,
Callahan, "Homogeneous Charge Compression
Ignition of Diesel Fuel", SAE paper 961180
3.Taro Aoyama, Yoshiaki Hattori and Junichi Mizuta,
"An Experimental Study on Premixed-Charge
Compression Ignition Gasoline Engine", SAE paper

efficiency. These investigations produced the following

4.Magnus Christensen, Bengt Johanson, Per Amneus

and Fabin Mauss, "Supercharged Homogeneous
Charge Compression Ignition" SAE paper 980787
5.T. Igarashi, N. Iida, "Auto Ignition and Combustion of
DME and n-Butane / Air Mixtures in Homogeneous
Charge Compression Ignition Engine", SAE paper

knowledge.

1. CO is generated in LTR and in the first part of heat

release with HTR, and decreases rapidly in the later part
of HTR.

2.Heat release by LTR is dominated by HCHO oxidation

reactions.

3.Heat release by HTR can be separated into two

stages. In the first stage of heat release by HTR is the
oxidation of HCHO in the same way as for LTR, in the
later part is OH + HO2 = O2 + H2O and CO-oxidation
reactions.

4.Dilution by HOT or COLD EGR and lean by air shows

almost equivalent effect to avoid rapid combustion
regardless with O2 concentration and temperature.
5.Combustion speed of HCCI engine depends largely
on supplied fuel mass.

6.The trapped fuel mass dominates speed of not only

the CO oxidation reactions, that make up most of heat

980081

2000-01-1832

8.
Najt.
P.M. and Foster, D.E., "Compression-Ignited
Homogeneous Charge Combustion" SAE paper
830264

7.Tosihio

Shudo

and

Yoshitaka

Ono,

"HCCI

Combustion of Hydrogen, Carbon Monoxide and

Dimethyl Ether", SAE paper 2002-01-0112
8.M.P.HALSTEAD, L.J.KIRSCH and C.P.QUINN The

Autoignition of Hydrocarbon Fuels at High

Temperatures and Pressure-Fitting of Mathematical
Model". COMBUSTION AND FLAME 30, 45-60,
1977

9.J.S.COWART, J.C.KECK and J.B.HEYWOOD

"ENGINE KNOCK PREDICTION USING A FULLY
DETAILED

AND

REDUCED

CHEMICAL

KINETICS MECHNISM" Twenty-Third Symposium

International on Combustion,
Institute, 1055-1062 1990

The

Combustion

release with HTR, but also all interim reactions.

10.SCHREIBER M, SADAT SAKAK A, LINGENS A and

7.Under the very lean or lower temperature condition,

combustion temperature cannot be much higher.
Therefore H2O2 decomposition reaction to OH cannot
occur for much high activation energy and combustion
cannot complete.

the autoignition of fuels with variable octane ratings",

Symp. (Int.) Combust, VOL.25th pp.933 - 940 1994
11. V.Warth, N.Stef, P.A.Glaude, F.Battin-Leclerc,
G.Scacchi
andG.M.Come,
"Computer-Aided

8.The necessary condition to keep high combustion

efficiency and/or to reduce both HC and CO emissions is
that in which the maximum temperature is more than
1500K in a combustion cycle.
9.HOT EGR is the effective technique to slow the
combustion speed and to ensure high combustion
efficiency.

GRIFFITHS J F, "A reduced thermokinetic model for

Derivation of Gas-Phase Oxidation Mechanisms:

Application to the Modeling of the Oxidation of n

Butane", Combustion and Flame 114, 81-102, 1998

12.S. Kojima
Autoignition

"Detailed Modeling of n-Butane

Chemistry" COMBUSTION AND

FLAME, 99,
1994
87-136,

13.H. J. Curran, W. J. Pitz, C. K. Westbrook, P. Dagaut,

J-C Boettner, M. Cathonnet "A Wide Range
Modeling Study of Dimethyl Ether Oxidation"
International Journal Chemical Kinetics, Vol 30, No.3,
pp229-241, 1998
14.http://www.me.berkeley.edu/gri_mech/
15.http://www.tfd.chalmers.se/-valeri/
16.Yudai Yamasaki and Norimasa Iida, " Numerical
Simulation of Auto-Ignition and Combustion of n
Butane and Air Mixtures in a 4 Stroke HCCI Engine
by Using Elementary Reactions", SAE paper 2000
01-1834

Downloaded from SAE International by Texas A and M University, Tuesday, November 08, 2016

17.Takashi

KOYAMA,

Yasumitsu

IBARAGI

and

Norimasa IIDA, "Numerical Analysis of Auto-ignition

and Combustion Process of Dimethyl Ether / Air

Mixtures", ISAF XHI, Proceedings Part Il 13, 2000
18.John E. Dec, MA Computational Study of the Effects
of Low Loading and EGR on Heat release rates and
Combustion Limits in HCCI Engines", SAE paper
2002-01-1309

Homogenous Charge Compression Ignition (HCCI)

Engine", SAE paper 2001-01-1893
28.RobertJ.Kee, Fran M.Rupley, and Ellen Meeks and
James A.Miller,

"A

Fortran

Chemical

Kinetics

Package for The Analysis of Gasphase Chemical

and Plasma Kinetics", Sanda National Laboratories,
1996

29.Andrew E. Lu/, Robert J. Kee, James A. Miller,

19.P.Amneus, D. Nilson, F Mauss, M. Christensen And

B,Johansson/'Homogeneous Charge Compression
Ignition Engne:Experimental and Detailed Kinetic
Calculations" The fourth International Symposium
COMODIA 98, pp567-572

30.Private Communications

20.Salvador M. Aceves, Dniel L. Flowers, Charles K.

31.R, Minetti, M. Ribaucour, M. Cartier, C. Pittseben,

Westbrook, J. Ray Smith William Pitz, Robert

Dibble, Magnus Christensen and Bengt Johansson.
41A Multi-Zone Model for prediction of HCCI
Combustion and Emissions" SAE paper 2000

and L, R. Soche!, " Experimental and Modeling

Study of Oxidation and Autoignition of Butane at
High Pressure" COMBUSTION AND FLAME, 96,

010327

21.Toru Noda and David Foster, "A Numerical Study to

Control Combustion Duration of Hydrogen-Fueled
HCCI by Using Multi-Zone Chemical Kinetics
Simulation" SAE paper 2001-01-0250
22.Soog-Charng Kong, Draig D. Marriott, Rolf D. Refe
and magnus Christensen, "Modeling and
Experiments of HCCI Engine Combustion Using
Detailed Chemical Kinetics with Multidimensional

GPD", SAE paper 2001-01-1026

23.Scott B. Fiveland and Dennis N. Assanis
"Development of a Two-Zone HCCI Combustion
Model Accounting for Boundary Layer Effects" SAE
paper 2001-01-1028
24.Salvador M, Aceves, Daniel L. Flowers, Joel
Martinez-Frias, J. Ray Smith, Charles K. Westbrrok,
William J. Pitz, Robert Dibble, John F. Wright, WoIe
C.Akinyei and Randy P. Hessel "A Sequential
Fluid-Mechanic Chemical-Kinetic Model of Propane
HCCI Combustin* SAE paper 2001-01-1027
25.William L. Easley, Apoorva Agarwal and George A.
Lavoie, "Modeling of HCCi Combustion and
Emissions Using Detailed Chemistry", SAE paper

"SENKIN; A FORTRAN Program for Predicting

Homogeneous Gas Phase Chemical Kinetics With
Sensitivity Analysis", Sandia National Laboratories
Report, SAND87-8248, 1988

201-211, 1994

32.Alexander Burcat, Karl Scheller, Assa Ltfsbitz,"

Shock-Tube Investigation of Comparative Ignition
Delay Times for C1-C5 Alkanes"Combustion and
Flame 16, 29-33, 1971
33.CHARLES
K.
WESTBROOK,
"CHEMICAL
KINETICS OF HYDROCARBON IGNITION IN

PRACTICALCOMBUSTIONSYSTEM",
Proceedings of Combustion Institute, Vol 28,
pp1 563-1 577, 2000
34.MJ.PILLING"LOW-TEMPERATURE

COMBUSTION AND AUTOIGNITION" Vol. 35,13-16

35.I. Glassman, "Combustion, 2nd ed.", Academic

Press, SanDiegof California, 37-57,1987

36.Masahiro

Furutani,

Masahiko

Kono,

Mitsutaka

Kojima, Masakazu Nose and Yasuhiko Ohtaf

"Chemical Species Histories up to Ignition in
Premxed-Compression-IgntonNatural-Gas
Engine", The Fifth International Symposium
COMODIA 2001

CONTACT
Yudai Yamasaki*1 and Norimasa lida*2

2001-01-1029

26.Tomoyuki WAKiSAKA, Nobusato KATO, Thanh

Tung NGUYEN, keiichi OKUDE, Shnch
TAKEUCHI and Yoshihiro ISSHIKI, "Numerical

Department
of
System
Design
Engineering
Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama
223-8522 JAPAN

Prediction of Mixture formation and Combustion

Process in Premixed Compression Ignition Engines",

The Fifth international Symposium COMODIA 2001
27.Magnus Christensen, Bengt Johansson and Anders
Hultqvist.The Effect of Piston Topland Geometry on
Emissions of Unburned Hydrocarbons from a

e-mail*1:y09800@edc.cc.keio.ac.jp
e-mail*2:iida@sd. keio.ac.jp
HP:http://wwwJlda.sd.keio.ac.jp/index2. html