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Developments in internal combustion engines and implications for


combustion science and future transport fuels

Article in Proceedings of the Combustion Institute · January 2015

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Proceedings
ScienceDirect of the
Combustion
Institute
Proceedings of the Combustion Institute xxx (2014) xxx–xxx
www.elsevier.com/locate/proci

Developments in internal combustion engines


and implications for combustion science
and future transport fuels
G.T. Kalghatgi ⇑
Saudi Aramco, PO Box 62, Dhahran 31311, Saudi Arabia

Abstract

Changes in engine technology, driven by the need to increase the efficiency of the SI engine and reduce
NOx and soot from diesel engines, and in transport energy demand will have a profound effect on the prop-
erties, specifications and production of future fuels. The expected increase in global demand for transport
energy is significantly skewed towards heavier fuels like diesel and jet fuel while the demand for gasoline
might decrease. Abnormal combustion such as knock and preignition will become more likely as spark-
ignition (SI) engines develop to become more efficient and fuel antiknock quality will become more impor-
tant. In current and future SI engines, for a given RON (Research Octane Number), a fuel of lower MON
(Motor Octane Number) has better antiknock quality. Current fuel specifications in several parts of the
world assume that MON contributes to antiknock quality and will need to be revised as the mismatch with
engine requirements widens. The primary challenge for diesel engines is to reduce emissions of soot and
NOx while maintaining high efficiency. This becomes much easier if such engines are run on fuels of extre-
mely low cetane. In the long term compression ignition engines are likely to use fuels with RON in the
range of 70–85 (Cetane number <30) but with no strict requirements on volatility. Such fuels would
require less processing in the refinery than today’s fuels and also help mitigate the expected demand imbal-
ance in favour of heavier fuels. Such an engine/fuels system will be at least as efficient as today’s diesel
engine but could be significantly cheaper. The review concludes with a list of issues for combustion science
that are relevant to this fuel and engine development.
Ó 2014 Published by Elsevier Inc. on behalf of The Combustion Institute.

Keywords: IC engines; Gasoline; Diesel; Autoignition; Preignition

1. Introduction importance to modern industrial society. The glo-


bal demand for transport energy is expected to
Transport accounts for around 20% of the total increase rapidly, by around 40% by 2040 com-
energy consumed globally [1] and is of central pared to now, mostly in the non-OECD countries
[2–5]. Transport is expected to be powered
overwhelmingly (around 90% share) by internal
⇑ Tel.: +966 13876 8171. combustion (IC) engines using liquid fuels made
from petroleum (crude oil) in the foreseeable
E-mail address: Gautam.Kalghatgi@aramco.com

http://dx.doi.org/10.1016/j.proci.2014.08.031
1540-7489/Ó 2014 Published by Elsevier Inc. on behalf of The Combustion Institute.

Please cite this article in press as: G.T. Kalghatgi, Proc. Combust. Inst. (2014), http://dx.doi.org/
10.1016/j.proci.2014.08.031
2 G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx

future, just as it is today, in spite of the expected of catalysts. In contrast, SI engines are run at a
advances in alternatives [2–5]. stoichiometric mixture strength which enables a
As in other energy sectors, the supply and three-way catalyst to be used to treat the exhaust
demand and the sources for transport energy as and reduce tail-pipe emissions of unburned hydro-
well as changes in engine design, and hence future carbons (HC), carbon monoxide (CO) and NOx
fuels, are shaped by political and economic factors to extremely low levels. Diesel engines are much
such as energy security and by local environmen- more expensive than SI engines primarily because
tal concerns and global issues such as climate of the need to meet increasingly stringent regula-
change. In addition to legislative demands, future tions on soot and NOx emissions while using die-
IC engines also have to respond to consumer sel fuel [2] because this requires very high pressure
demands for performance, drivability and afford- injection systems and complex after treatment.
ability in an increasingly competitive world. Recently there has been significant interest in
Engine efficiency, performance and emissions will Homogeneous Charge Compression Ignition
be squeezed to the utmost in the future and even (HCCI) engines because of the potential of high
small improvements, perhaps previously not con- efficiency and low NOx and low soot operation.
sidered worth pursuing, will become important. In HCCI engines, as in SI engines, fuel and air
In such a context, traditional combustion prob- are fully premixed and the mixture is compressed
lems such as ignition and flame development will but heat release takes place by autoignition of
acquire renewed importance. As engine designs the charge. Unlike in SI engines (spark timing)
change problems such as preignition leading to or in diesel engines (fuel injection timing), there
extremely heavy knock, “superknock”, in SI is no in-cycle control on combustion phasing. This
engines are threatening to limit efficiency improve- makes the control of HCCI engines extremely dif-
ments. Other traditionally neglected fuel and com- ficult. Equally importantly, as the load is
bustion related issues such as deposit formation increased for a given speed, the equivalence ratio
will also be important. However, the autoignition increases and the maximum heat release rate, the
behavior of practical fuels provides the major uni- pressure rise rate and NOx levels increase. This
fying thread to help understand how future fuels puts a severe restriction on the maximum load
might be affected. This review discusses these achievable in HCCI engines and it is very unlikely
issues – a more detailed discussion can be found that there will be practical engines working in
in [2]. Engine technologies such as injector design HCCI mode over the full operating range. How-
and control strategies can affect mixing and hence ever there is great potential for developing practi-
combustion in diesel engines and are discussed in cal fuel/engine systems with “premixed enough”
that context. Other engine and vehicle technolo- compression ignition to get most of the benefits
gies such as friction reduction and transmission of HCCI combustion – see Section 6.
also affect fuel efficiency, performance and emis- The primary focus for the development of SI
sions but detailed discussion of such topics is engines is to improve their efficiency while that
beyond the scope of this review. for diesel engines is to meet increasingly stringent
soot and NOx emissions requirements without
1.1. Internal combustion (IC) engines compromising efficiency. All this has to be
achieved at an acceptable cost and meet other cus-
IC engines are either spark ignition (SI) tomer demands. Future fuel manufacture and
engines or compression ignition (CI) engines properties will need to evolve to enable these goals
[6,7]. Practical CI engines currently are diesel to be met. This evolution will also be influenced
engines running on diesel fuels. SI engines use gas- and constrained by factors affecting the supply
oline which is premixed with air and the mixture is and demand of transport energy.
compressed – heat release occurs in an expanding
turbulent flame initiated by a spark near the top
of the compression stroke, top dead center 2. Current transport fuels
(TDC). In a diesel engine, fuel and air are not fully
premixed and combustion is initiated by autoigni- Liquid fuels have become the fuels of choice
tion as the fuel vaporizes, mixes and reacts with for transport over the past century or so because
oxygen in the engine cylinder. Currently, the pas- of their high energy density and the ease of trans-
senger car sector is dominated by SI engines port, storage and handling. As a result an exten-
whereas the commercial sector (heavy duty road, sive global distribution network has been built
air, rail and marine) is dominated by diesel up which is very difficult to replace or duplicate.
engines using diesel fuel. Transport fuels are primarily made in refineries
Diesel engines are more efficient than SI starting with petroleum and then blending the
engines [6,7] but suffer from high engine-out emis- products of several refinery processes [2,8]. Petro-
sions of particulates and NOx (nitrogen oxides) leum itself contains hundreds of different hydro-
which are very difficult to control by after-treat- carbons, each with its own boiling point.
ment of the oxygen-rich exhaust through the use Initially it is separated into different boiling range

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10.1016/j.proci.2014.08.031
G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx 3

fractions by distillation. Up to 2% of the crude for gasoline octane quality. The RON test is run
can be dissolved gases which are released when in a single-cylinder engine at an engine speed of
the temperature is raised above ambient tempera- 600 rpm (revolutions per minute) and an intake
ture – these constitute Liquid Petroleum Gas, temperature of 52 °C while the MON test is run
LPG. The main component of LPG, around at 900 rpm and with a higher intake temperature
75%, is propane. The light fraction resulting from of 149 °C. The octane scale is based on two paraf-
distillation and boiling roughly in the gasoline fins (alkanes), n-heptane and iso-octane. Blends of
range from 20 °C to 200 °C is termed ‘straight these two primary components are referred to as
run gasoline’ (SRG). The generic term ‘naphtha’ primary reference fuels (PRF) and define the
is used for products, which can come from differ- intermediate points in the RON or MON scale.
ent processes in the refinery, in this boiling range. The RON or MON is the volume percent of iso-
Naphtha is usually further processed to improve octane in the PRF. A fuel is assigned the RON
its autoignition resistance before it is used as a (or MON) value of the PRF that matches its
gasoline component. The middle distillates span knock behavior in the RON (or MON) test.
the kerosene/diesel boiling range of 160 °C to Cetane number (CN) is measured for a given
380 °C. Between 40% and 60% of the weight of fuel by comparing its ignition characteristics with
petroleum can be “Residue” with boiling points reference fuels in a single-cylinder diesel engine
above 380 °C, depending on the crude. [11]. The reference fuels are made by blending
These heavier fractions have to be converted normal cetane, n-hexadecane, which is defined to
through further processing into lighter fractions have a CN of 100 and heptamethylnonane, a
that can be used as fuel components. Refinery highly branched paraffin which is assigned a CN
processes involve separation into smaller frac- of 15. More recently, a laboratory test method
tions, a change of composition, removal of con- based on measuring ignition delay has been devel-
taminants and a redistribution of carbon/ oped to measure the autoignition quality of diesel
hydrogen ratios of the molecules through carbon fuels [11]. In this test, a small specimen of test fuel
rejection or hydrogen addition. A description of is injected into a heated, temperature-controlled
refinery and other processes used for making fuel constant volume chamber which has been previ-
components can be found in [2,8,9]. ously filled with compressed air. A Derived
In addition, other processes outside a conven- Cetane Number, DCN, is calculated from the
tional refinery produce fuel components which measured ignition delay.
are often used in liquid fuels. These include Biofu- Fuels can be said to be in the diesel autoigni-
els made from sugar, starch, vegetable oils, cellu- tion range if CN > 30 and fuels with
losic residue and biological waste; other RON > 60 (CN < 30) can be considered to
oxygenates such as MTBE and Gas to Liquid be in the gasoline autoignition range [10]. Practi-
(GTL) fuels made using the Fischer-Tropsch pro- cal diesel fuels have CN ranging from 40 to 60
cess for synthesizing syngas, a mixture of carbon while practical gasolines in most markets have
monoxide and hydrogen, into liquid fuels. RON between 90 and 100.
Gasoline and diesel are complex mixtures of Jet fuel or kerosene is the third most important
hydrocarbons. They differ from each other pri- transport fuel currently accounting for around
marily in terms of their autoignition quality which 12% of total transport energy demand. It is in
is measured by the Research and Motor Octane the diesel boiling range but with lower final boil-
Numbers, RON and MON, for gasolines and by ing point, lower cetane and lower density com-
the Cetane Number, CN, for diesels [10]. The pared to typical European diesel fuel.
higher the RON, the more resistant is the gasoline
to autoignition while higher CN indicates that the
fuel is more prone to autoignition – there is an 3. Outlook for supply and demand for transport
inverse correlation between RON and CN [10]. fuels
Gasolines need to be resistant to autoignition to
avoid knock, an abnormal combustion phenome- The world demand for transport fuels is very
non which limits SI engine efficiency whereas con- large – around 1.6 trillion liters per year each for
ventional diesel fuels auto-ignite easily. Gasolines gasoline and diesel – and accounts for around
are made up of comparatively lighter hydrocar- 60% of the total world oil consumption and is
bons with carbon numbers usually between 4 expected to grow rapidly [3–8]. Currently, around
and 11 while diesels contain heavier, higher boil- 95% of all transport energy comes from petroleum
ing-point compounds typically with carbon num- [4].
bers between 10 and 21. Global oil supply capacity is growing at an
RON and MON are measured in tests run unprecedented level and there is an abundance
according to the procedures set in [11] and are of oil to meet the demand in the foreseeable future
of fundamental importance to the petroleum [13,14]. New discoveries and improved recovery
industry since fuels manufacture is primarily dri- rates coupled with increasing availability of non-
ven by the need to meet the required standards conventional petroleum (e.g., oil sands) have

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10.1016/j.proci.2014.08.031
4 G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx

ensured that reserves have been increasing and 160 7

(Diesel+Jet)/Gasoline
more than kept pace with increasing demand over 140 6

Energy demand EJ
the past few decades [2,3]. The reserves to produc- 120 5
tion ratio has increased from around 29 years in 100
4
1980 to 54 years in 2012 [15]. 80 3.8
It will be difficult for alternative transport 3
60 2.4
energy sources, even if they grow rapidly, to dis- 40 2
place petroleum-based liquid fuels to any substan- 1.5
20 1
tial extent in the next few decades. Currently, of
0 0
the total global transport energy, biofuels supply 2005 2010 2015 2020 2025 2030 2035 2040 2045 2050
about 4% and the rest, which include CNG (com- Year
pressed natural gas), LPG (liquid petroleum gas)
Gasoline Jeuels Diesel Rao (D+J)/G
and LNG (liquefied natural gas) about 1%. The
contribution of electricity is negligible and of Fig. 1. Projections for gasoline, jet fuel and diesel
hydrogen, non-existent. growth in the Freeway scenario of the World Energy
The recent shale gas revolution has more than Council [5].
doubled the estimate of global natural gas reserves
[16] and it is likely that the availability of cheap
natural gas will bring more of it into the transport low-octane gasoline components such as naphtha.
sector but its use will be constrained by infrastruc- Alternatively, a significant proportion of CI
ture limitations. Natural gas can be used in trans- engines, especially heavy duty, will have to be
port as CNG or LNG but this will require developed to use alternatives like natural gas
investments in new infrastructure. It could also and light fuels rather than conventional diesel fuel
be used to make GTL (gas-to-liquids) and this is in order to keep supply and demand in balance.
a very expensive route. A recent projection sug- Further discussion of these topics can be found
gests that by 2040, natural gas could supply in Ch.1 of [2].
around 5% of global transport energy [17] but
there are likely to be large regional variations.
Of the various options for electrification of the 4. Fuel effects on autoignition in engines
transport sector, hybrid electric vehicle (HEV)
technology is expected to be very widely adopted As combustion proceeds in SI engines, the
where possible – e.g., in light duty passenger vehi- pressure and temperature in the unburned “end-
cles working in urban cycles with many stop/starts gas”, ahead of the advancing flame front, increase
– and substantially moderate the increase in fuel and under some circumstances could cause the
demand from this sector [2,12]. Even by 2040, endgas to auto-ignite before the flame consumes
around 90% of transport energy is still expected it. In SI engines, though the fuel and air are fully
to come from petroleum [4,5]. premixed, the mixture is never homogeneous
The increase in demand for transport energy is because of temperature gradients caused by turbu-
expected to be very substantially skewed towards lence. Autoignition is initiated around one or
the commercial sector [2,4,5,12,17] under the cur- more ignition centers or “hot spots” and could
rent technology trajectory. Even though the num- cause a very rapid release of much of the chemical
ber of passenger vehicles is expected to double to energy contained in the endgas and this could lead
around 1.6 billion by 2040 [4], the average future to a sharp pressure rise and pressure waves inside
car will be much lighter, smaller and travel less the cylinder. Knock can cause engine damage and
distance compared to today’s average car and the strategies used to manage knock reduce the
the scope for efficiency improvements e.g., efficiency and the maximum power of SI engines.
through hybridisation, is much greater in this sec- In modern cars equipped with knock-sensors, cor-
tor. As a result there will be a substantial shift in rective action to protect the engine from knock
demand towards heavier fuels like diesel and jet damage leads to a reduction in engine power
fuel compared to gasoline as illustrated in Fig. 1 and acceleration performance [e.g., [10,18,19]].
which is a projection from the Freeway scenario, Autoignition is governed by chemical kinetics
which assumes that market forces dominate, of [20] and depends on the chemical composition of
the World Energy Council. The line in the middle the fuel and on the evolution with time of pressure,
of the figure shows the ratio of (diesel + jet fuel) temperature and equivalence ratio. In SI and HCCI
to gasoline. This ratio is around 1.5 now and is engines, pressure and temperature increase with
expected to increase to around 2.4 by 2040 [2]. time while the global equivalence ratio of the mix-
Whatever the actual numbers, the trend is clear ture is constant. In contrast, in diesel (conventional
and this will require global investments running CI) engines, equivalence ratio changes with
to hundreds of billions of dollars in refineries to time and space as the fuel mixes with air while
make more diesel and jet fuel compared to gaso- pressure and global temperature remain rela-
line in the future. It will also lead to a surplus of tively unchanged in the lead-up to autoignition.

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10.1016/j.proci.2014.08.031
G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx 5

Currently chemical kinetics of a practical fuel needs 1000

to be simulated by a “surrogate fuel,” a fuel com- 950


posed of a small number of pure compounds whose K=1

Compression Temperature, T, K
900
behavior matches that of the target fuel [21,22].
Further, such surrogate kinetic models need to be 850

small enough to be coupled to models which predict 800 K=0


turbulent flow and mixture preparation in CI 750
engines and turbulent flame development for SI K = - 0.33
700
engines. Such models are very useful to understand MON Test, K= +1.0
autoignition of a well-characterized fuel in engines. 650 RON test, K= 0

However, for the foreseeable future, autoigntion 600


Knock, K=-0.33 SAE2001-01-3584

quality of fuels has to be understood in terms of 1 1.5 2 2.5


empirical measures such as RON and MON, given Pressure, P, MPa

their importance to the refining industry, regardless


Fig. 2. Variation of the temperature of the unburned
of any advances in the fundamental understanding
mixture with pressure. It depends on engine design and
of autoignition and the accuracy and the applica- operating conditions.
bility of the models.

4.1. The Octane Index – autoignition quality of


practical gasolines depends on the autoignition quality of the fuel
in an engine or a vehicle test, using fuels of differ-
However, neither RON nor MON describes ent RON and sensitivity i.e. different chemical
the autoignition quality of practical gasolines ade- composition. For instance, z can be CA50, the
quately. The true resistance to autoignition of crank angle at which 50% of the total heat release
practical fuels is given by the Octane Index, OI, from autoignition occurs in HCCI tests. The fuels
defined as are compared at the same engine operating condi-
tions so that the fuel/air mixture is subjected to
OI ¼ RON  KS ð1Þ the same pressure/temperature history. It is possi-
Here S is the sensitivity of the fuel, (RON – ble to find a linear regression equation [10] such
MON) and is typically around 10 for practical that
gasolines whereas it is zero, by definition, for z ¼ aRON þ bMON þ c ð2Þ
PRF. OI is the octane number of the PRF that
matches it for autoignition behavior in the partic- The Octane Index, OI is then defined with RON
ular test under consideration. K is a constant and MON and the coefficients from the linear
depending on the pressure and temperature evolu- regression.
tion in the unburned gas – it is not a primary a b
property of the fuel. Practical gasolines contain OI ¼ RON þ MON ð3Þ
aþb aþb
other classes of compounds such as aromatics,
olefins and oxygenates apart from paraffins which Eq. (2) can then be rewritten with the Octane
make up PRF on which the octane scale is based. Index.
A gasoline will match different PRFs, i.e. have dif- z ¼ c þ ða þ bÞOI ð4Þ
ferent OI, at different operating conditions (differ-
ent K values). The temperature of the unburned K is defined as:
gas in the MON test conditions is higher than in b
the RON test condition for the same pressure as K¼ ð5Þ
illustrated in Fig. 2. In [10], Tcomp15 was defined aþb
as the compression temperature of the unburned K is a measure of how different the actual operat-
gas when the pressure is 15 bar (1.5 MPa) and ing condition is compared to the RON test condi-
helps to place the operating condition of interest tion. Similarly, the sensitivity S can be taken as a
in relation to the RON test condition. If Tcomp15 measure of how different the fuel autoignition
is less than that for the RON test, the test condi- chemistry is from that of PRF. Two fuels of the
tion is said to be “beyond RON”, K will be nega- same RON and MON will have the same OI
tive and a non-PRF fuel (S > 0) will have regardless of the composition or the value of K
OI > RON. An example of such a condition and will have the same autoignition phasing,
“beyond RON” is also shown in Fig. 2. Studies within experimental variation, in SI and HCCI
in HCCI engines where autoignition can be engines at different conditions. A toluene, iso-
obtained at conditions not usually accessible in octane and n-heptane mixture can be found to
knocking SI engines have helped clarify the match any RON and MON combination [26]
autoignition of practical fuels [23–25]. and will be a good surrogate fuel for gasoline.
The K value used in Eq. (1) is determined The empirical approach based on the OI and
empirically by measuring a parameter, z, which K value provides a suitable framework for

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10.1016/j.proci.2014.08.031
6 G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx

understanding the experimentally observed Fig. 11 of [31]. The data can be collapsed to a sin-
autoignition behavior of fuels in the gasoline gle function of temperature if they are scaled to a
autoignition range (RON > 60, CN < 30) over a single pressure using Eq. (7) as illustrated in Fig. 4
wide range of operating conditions both in HCCI which shows si scaled to 4 MPa by multiplying
engines and knocking SI engines. each value by a scaling factor (4/P)1.5 – in this
case, n is chosen, by trial and error, to be 1.5.
4.2. Ignition delay and the initiation of autoignition The functional variation of si with tempera-
ture, T, at a fixed pressure, P, can be represented
The time taken for autoignition as marked by by an Arrhenius type expression such as Eq. (8),
heat release at a given temperature and pressure in particular temperature ranges.
is known as the induction time or ignition delay,  
E
si, and is commonly measured in shock tubes si ¼ f ðT Þ ¼ A exp ð8Þ
and rapid compression machines. The lower the RT
value of si the more reactive is the mixture. For Here, E is the activation energy, R the universal
a given fuel, the ignition delay changes with tem- gas constant and A is a pre-exponential constant.
perature and pressure and also depends on equiv- A and E are different for different fuels over a
alence ratio. Chemical kinetic models of given pressure and temperature range; their values
autoignition are usually calibrated using experi- also depend on the equivalence ratio for a given
mental values of ignition delay. In IC engines at fuel. The ignition delay time at high and low tem-
each point during the cycle the mixture will have peratures can be expressed as different Arrhenius
a different value of si. It is then hypothesized that expressions such as Eq. (8) but in the temperature
autoignition occurs when the integral of the reci- range between 700 K and 900 K, the so called
procal of si with time, t, (Eq. (6)) reaches unity. NTC (Negative Temperature Coefficient) region,
Z te si might actually increase with increasing temper-
dt
I¼ ¼1 ð6Þ ature for some fuels e.g. [32].
0 siðP ;TÞ
The pressure exponent, n, in Eq. (7), could also
This hypothesis suggested by Livengood and Wu be different in different pressure/temperature
[27] is now commonly used in knock studies as ranges [33] for the same mixture. However, in typ-
well as HCCI studies [e.g., [28–30]]. It is very ical engine tests, only ignition delays smaller than
important to account for the effects of changing about 5 ms contribute significantly to the Liven-
pressure, P. An increase in pressure causes a good-Wu integral, I. For instance at 1500 rpm,
decrease in si. In general si can be expressed over 5 ms equals 45 crank angle degrees (CAD) and a
a given temperature range as one CAD step with such an ignition delay in Eq.
 n (6) will contribute 0.022 to the integral. In this
si P
¼ f ðT Þ ð7Þ range, for PRF, n can be expected to be between
si0 P0 1.5 and 1.64, the values measured for isooctane
Here, si0 is the ignition delay measured at a pres- and n-heptane while for non-PRF fuels it is much
sure and temperature of P0 and T respectively. lower [34,35] (see Table 4.1 in [2]). Thus, if
This is illustrated in Figs. 3 and 4. Figure 3 shows pressure is increased at a given temperature,
si measured for iso-octane for different pressures starting from the same si, the ignition delay of a
and temperatures; the data are re-plotted from non-PRF fuel is reduced less i.e. it becomes more

100
Isooctane Isooctane

5
τ, ms. Normalised to 4 MPa

10

1
τ, ms.

0.5 1.3 MPa


1.3 MPa
1.7 MPa 1.7 MPa
0.1
3.4 MPa 3.4 MPa
4.0 MPa 4.0 MPa
4.5 MPa 4.5 MPa
0.05 0.01
0.7 0.9 1.1 1.3 1.5 0.7 0.9 1.1 1.3 1.5
1000/T, T in K 1000/T, T in K

Fig. 3. Ignition delay for iso-octane at stoichiometric Fig. 4. Ignition delay in Fig. 3 scaled to 40 bar by
conditions at different pressures and temperatures from multiplying each value of si by (4/P)1.5, where P is the
the shock tube studies of Fieweger et al. [31]. actual pressure in MPa at which si was measured.

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G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx 7

resistant to autoignition compared to the initially propagation of the reaction front through the
matching PRF fuel. hot spot can be related, in the absence of shock
Both pressure and temperature change in waves, to a non-dimensional “resonance parame-
engines and the difference in the value of n helps ter” pnffiffiffiffiffiffiffiffiffiffi
= a/ua where a, is the acoustic speed,
explain why a gasoline might behave like a PRF a ¼ cp=q [44]. The analysis in [41,46] identified
with an octane number higher than its RON the modes of propagation within the hot spot as
under some circumstances (i.e. when K is nega- follows:
tive) – see [36] and Ch.4 in [2]. When the condi- (i) n = 0, thermal explosion.
tions are “beyond RON”, the pressure at a given (ii) 0 < n < nl, supersonic autoignitive deflagra-
temperature of the mixture will be higher than tion. The autoignitive wave is ahead of
at the RON test condition and the gasoline will acoustic wave.
be more resistant to autoignition (si will be higher (iii) nl 6 n < nu, developing and developed
because n is lower), the Livengood –Wu integral detonation
will reach unity later compared to the PRF fuel (iv) nl 6 n < aSl1, subsonic autoignitive defla-
it matched in the RON condition i.e. OI > RON. gration where, Sl, is the laminar burning
The challenge now is to explain, in chemical velocity.
kinetics terms, why n is lower for non-PRF fuels (v) n P aSl1 laminar burning deflagration at
in the pressure/temperature range relevant to the laminar burning velocity.
autoignition in engines. Leppard [32] invoked the
differences in NTC chemistry to explain why However, when there are large changes in den-
MON is lower than RON for non-PRF fuels. His sity at the pressure front and when chemical
contention was that comparing a PRF and a non- energy can be fed into the developing pressure
PRF fuel of the same RON, at the MON condition, wave at a hot spot, the main energy release occurs
as the temperature is higher, the PRF fuel is more during an excitation time, se, that is much smaller
affected by NTC chemistry and its autoignition than si. The strength of the pressure pulse is influ-
chemistry is slowed down relative to the non-PRF enced by the rapidity of this energy release [37,45].
fuel which will actually match a lower octane PRF. The development of detonation depends not just
on n, but also on a dimensionless “reactivity
4.3. Pressure wave development following parameter”, e. If, r0, is the radius of the hot spot,
autoignition e, is defined as
The initiation of autoignition in SI and HCCI r0
e¼ ð11Þ
engines can be predicted by assuming the mixture ase
to be homogeneous and using the Livengood-Wu e is a measure of the hot spot reactivity – it is the
integral. In reality there are always temperature number of excitation times fitting into the pres-
gradients because of turbulence even in nominally sure pulse during its time in the hot spot. The
homogeneous mixtures and autoignition starts at pressure wave generated by the hot spot can cou-
an ignition center or hot spot. The development ple with the autoignition reaction front when it
of the pressure wave initiated by the autoignition moves into the unburned mixture at approxi-
as it traverses through the gradient of ignition mately the acoustic speed. The fronts are mutually
delay time within the ignition center has been reinforced to create a damaging pressure spike
studied by Bradley and co-workers in [37–41]. propagating at high velocity within the hot spot
These studies were based on the early work of Zel- in a developing detonation (DD) [42]. This cou-
dovich [42] and Oppenheim [43]. When fuel and pling is complex and a full understanding of a
air are fully premixed, as in a SI or HCCI engine, DD requires direct numerical simulation of the
the reactivity gradient can be assumed to be developing front. Such simulations were made in
caused by the temperature gradient. The reaction [41,46] with CO/H2 – air mixtures under different
front will then propagate at a velocity, ua, relative conditions. These fuels were selected because the
to the unburned gas given by: associated reaction kinetics were relatively well
ua ¼ ð@r=@si Þ ¼ ð@si =@T Þ1 ð@T =@rÞ1 ð9Þ understood. It was found that the results of the
computations could be usefully generalized by
where r is the distance from the center of the hot plotting regime boundary values of n and e as in
spot. If it is assumed that si can be expressed Fig. 5 [41]. Chemical resonance corresponds to
locally at constant pressure in Arrhenius form – n = 1. There is a peninsula in Fig. 5, with an upper
Eq. (8):Then from Eqs.(8) and (9) limit, nu, and a lower limit, nl, within which deto-
nations can begin to develop within the hot spot.
ua ¼ ðT 2 =ðsi E=RÞÞð@T =@rÞ1 ð10Þ
Whether autoignition, in a knocking SI engine
The amplitude of the pressure wave generated by or an HCCI engine, leads to DD and hence extre-
autoignition depends upon ua [37,41]. The over- mely high pressure pulses, can be assessed by
pressure, above the ambient, generated by the using Fig. 5 if n and e can be estimated [30,59,60].

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8 G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx

45 of the fuel is increased, the chances of knock are


40 ξu reduced and the engine is more likely to operate
near the optimum condition so that performance
35 can be improved up to a limit and either the max-
30 imum power at a constant speed or an accelera-
tion time can be used as measures of the
25
N2
antiknock quality of the fuel [10,18,19,28].
20 Downsizing allied with turbocharging is being
ξ

Developing
Detonation very actively pursued by all engine manufacturers
15
to improve the efficiency of SI engines by minimiz-
10 . ing throttling at low loads while ensuring high
peak power. As with other approaches to increase
5
S2 ξl the efficiency and performance of the SI engine
0
0 5 10 15 20 25
(e.g., increasing the compression ratio), this
ε
increases the maximum pressure and temperature
of the unburned gas and makes autoignition and
Fig. 5. Conditions for the occurrence of developing knock more likely. The antiknock quality of the
detonations in terms of n and e [41,59]. The broken line fuel becomes more important – the octane
refers to pressure traces shown in Fig. 7. requirement of the engine increases. Moreover,
all such approaches also reduce the temperature
of the unburned gas at a given pressure i.e.,
5. Implications for SI engines Tcomp15 is reduced. Indeed, throughout the history
of the SI engine, the average value of K and
5.1. Fuel antiknock quality hence, the importance of MON, has decreased
[47] as SI engines have become more efficient
The intensity of knock set up by autoignition is and Tcomp15 has decreased on average. In fact cur-
usually characterized by the maximum peak-to- rent engines [10,18,19,28,47–52] and down-sized,
peak amplitude of the fluctuating part of the pres- turbocharged engines [53,54] which are being
sure signal averaged over many engine cycles. In developed for the future, all have negative K val-
SI engine experiments, at a set condition, as the ues in the operating ranges where they are likely to
spark timing is advanced, knock intensity (KI) be knock limited.
increases and the engine is said to knock when This is illustrated in Fig. 6 using P1500, the
KI exceeds a threshold value which is often set power at full-throttle at an engine speed of
at 20 kPa. It is possible to have autoignition in 1500 rpm, for a knock-sensor equipped car mea-
the endgas e.g., observed in optical experiments sured at the wheels on a chassis dynamometer –
[38], without “knock” (benign autoignition). The the results are from Table 5 in [28]. The car was
spark advance at which KI reaches the threshold tested on ten different fuels of different chemical
value is known as the Knock Limited Spark compositions with varying RON and MON.
Advance (KLSA) and is used as a measure of Fig. 6a and b illustrate that P1500 showed some
the antiknock quality of the fuel – the larger the correlation with RON but little correlation
KLSA, the greater is the knock resistance of the MON. The K value of 0.51 was established by
fuel. Also, as the ignition timing is advanced effi- using P1500 rather than z in Eq. (2). Fig. 6c shows
ciency and torque reach a maximum value at that the correlation between P1500 and OI using
MBT (minimum advance for best torque) timing this negative value of K is much better.
[6,7]. An engine is said to be “knock limited” In many parts of the world fuel specifications
when it cannot be run at MBT timing because have been set on the assumption that MON con-
of knock. At a given operating condition, the tributes to antiknock properties of the fuel. These
Octane Requirement (OR) of the engine is the specifications were set at a time when MON did
OI of the fuel with KLSA the same as MBT. Such matter but in modern engines with higher efficien-
a fuel, or a fuel with OI higher than the OR, cies, this is not the case anymore. Such gasoline
allows the engine to run at the best efficiency antiknock quality specifications are inconsistent
and power without knock. with the requirements of current and future
Most modern high-performance engines are engines at conditions where knock is more likely
knock-limited in at least some part of their oper- [2] and more effort and energy is being spent in
ating regime on normally available fuels. Such making fuels that are arguably less suitable for
engines are usually equipped with knock-sensors. modern engines. As engines seek to improve their
With the engine operating on a given fuel, when efficiency, this mismatch between specifications
knock is detected, the engine management system and engine requirements will get wider and will
takes corrective action, usually by retarding the need to be addressed. There are many parts of
ignition timing, and this causes a reduction in the world, e.g. Japan and China where fuel anti-
power. In such vehicles, if the antiknock quality knock quality is only specified by RON (i.e., K

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(a) 23 down-sizing do not increase indefinitely with


22.5
increasing OI [54]. There are diminishing returns
with increasing OI. Increasing fuel antiknock
Full-throle Power at the wheels, kW

22
quality could also require greater use of energy
21.5 R² = 0.8668 in making the fuel. In general, raising the RON
21 of the gasoline pool will lead to a further surplus
20.5
of low-octane gasoline (see Section 3 also). A
proper well-to-wheel analysis would be required
20
to assess the true benefits for energy consumption
19.5 attainable through increasing fuel antiknock qual-
19 ity in combination with down-sizing.
18.5
A question that crops up often is whether the
ASTM RON and MON tests need to be revised.
18
85 90 95 100
The problem with the RON and MON tests is
RON not that they use an engine of antiquated design
because autoignition is determined by the pres-
(b) 23
sure/temperature history of the endgas rather than
22.5 engine design. The main problem is that the pri-
Full-throle Power at the wheels, kW

22 mary reference fuels (PRF) used to define the


21.5
octane scale have zero sensitivity and do not prop-
R² = 0.1035
erly reflect the auto-ignition behavior of practical
21
fuels. A better scale might be one based on tolu-
20.5 ene/heptane mixtures which have sensitivities com-
20 parable to practical fuels and will also enable fuels
19.5
which fall beyond the octane scale (RON > 100) to
be rated quantitatively – see Section 4.4 in [2].
19

18.5 5.2. Preignition and superknock in turbocharged SI


18 engines
80 85 90 95 100
MON
A more detailed discussion of this problem can
(c) be found in Ch.5 of [2]. Turbo-charged DISI
engines have been observed to suffer from an
abnormal combustion phenomenon known as
preignition [30,55–60] where an expanding flame
front is established before the spark plug fires in
the engine. The early start to combustion from
preignition causes the pressure and the tempera-
ture of the unburned gas ahead of the advancing
flame front, the endgas, to rise more rapidly com-
pared to normal spark timing. If autoignition
occurs in the endgas at high pressure and temper-
ature, it can lead to extremely heavy knock, some-
times described as “superknock”, another
abnormal combustion phenomenon which could
potentially damage the engine. Examples of in-
cylinder pressure from cycles, originally discussed
Fig. 6. Power at the wheels at full throttle with the in [30], showing preignition and superknock are
engine speed at 1500 rpm (P1500), for a knock-sensor shown in Fig. 7. Cycle S2 shows knock intensity
equipped car plotted against 7a) RON, 7b) MON and of over 140 bar (14 Mpa) and could be considered
7c) OI = RON + 0.51S. Data taken from Table 5 of [28]. as a superknock event. Cycle K2 has preignition
starting later than S2 and a KI of about 24 bar
is assumed to be zero) and indeed this might be an (2.4 MPa) though, at the time of the start of
acceptable intermediate compromise. Certainly in autoignition, it has a similar amount, about
such cases setting an additional MON specifica- 40%, of unburned mass fraction as Cycle S2.
tion would be a retrogressive step.
The question also arises as to whether the anti- 5.2.1. Preignition
knock quality (minimum OI) of gasolines should In order to establish a laminar flame, which
be increased and to what level. The gain in knock later develops into a turbulent flame in the
limited power, knock limited fuel efficiency and engine, the fuel/air mixture in a localized, small
the potential for improving efficiency through volume needs to be heated to a sufficiently high

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10 G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx

Start of Knock
220 Superknock. S2
@128 bar/ -
2°CA/ MFB 65% Start of Knock @
90 bar/ 20°CA/ Moderate Knock. K2
MFB 62%
Normal cycle. N2
170
p [bar]

120 Start of Pre-


Ignition
@-19/-6 ° bTDC

70

20
-20 -10 0 10 20 30
KLSA= -2.3° Crank Angle degree

Fig. 7. Preignition and superknock in a turbocharged engine. Examples of in-cylinder pressure traces from experiments
discussed in [30]. (MFB – mass fraction burned).

temperature to cause a thermal runaway. In order Once the initial flame kernel is formed, the
to continue to propagate, the flame should have smaller the value of the laminar flame thickness
grown to a critical size, of the order of the laminar d (the critical diameter), the larger the probability
flame thickness, d, by the time the temperature at of having a kernel bigger than the critical size and
the origin has decreased to around the normal hence of establishing a laminar flame [61,62].
flame temperature. Below this critical flame size, Further,
the rate of heat release within the inner zone of
chemical reaction is insufficient to compensate d  ðl=qS L Þ ð12Þ
for the rate of heat loss to the surroundings and
the temperature would decrease throughout the The dependence on pressure and temperature of
reaction volume in the absence of external energy SL can be expressed in general as
input of sufficient power and duration [61]. S L ¼ S L0 ðT =T 0 Þp ðP =P 0 Þq ð13Þ
The initiation of preignition during the com-
pression stroke cannot be caused by autoignition where SL0 is the laminar burning velocity at some
in the bulk fuel/air mixture because the pressure reference pressure,P0, and temperature,T0
and temperature are too low and the ignition Also, from ideal gas law, (P/P0) = (T/T0)(q/q0)
delay would be too large [55,59]. In earlier engines where q0 is the density at pressure,P0, and temper-
preignition was observed to start at surface hot ature,T0. Finally dynamic viscosity, l,varies as
spots so that combustion chamber deposits [2] T0.5
.
played a role. In modern DISI engines, preignition If l0 is the dynamic viscosity at P0 and T0,
appears to be initiated away from the combustion from Eqs.(12), (13)
chamber walls by the burning of oil/fuel droplets d ¼ ðl0 =q0 S L0 ÞðP =P 0 Þðq1Þ ðT =T 0 Þð1:5pÞ ð14Þ
which are blown into the cylinder from crevices
[55,58] such as at the piston top land though sur- Many fuels were rated for their preignition resis-
face ignition cannot be ruled out. Both autoigni- tance (PR) with a procedure developed by
tion and catalytic processes, not fully Ricardo and co-workers using a hot wire to pro-
understood at the moment, seem to be responsible vide the initial source of ignition [63–65]. For
for the creation of this initial hot spot from the many of the same fuels Farrell et al. [66] measured
burning of these droplets. This process is stochas- the maximum laminar burning velocity, SLmax, at
tic and unpredictable since it will depend on 3.04 bar (P0) and 450 K (T0) for many of these
engine design, the autoignition properties of the fuels. Since the ignition criterion is met by the
oil and fuel, lubricant additives which might have hot wire, PR should increase as the critical diam-
catalytic effects, the engine operating conditions eter required for establishing a stable flame (lam-
and the flow fields and other parameters which inar flame thickness) increases. In [59], these
might affect the transport of the droplets into results were combined and PR shows a reasonable
the cylinder. negative correlation with SLmax, as suggested by

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160 velocity, a, can be calculated from the tempera-


140 ture at the start of autoignition. A kinetic model
120 [67] for a surrogate fuel (for European Premium
100 gasoline) made up of a mixture of isooctane, tolu-
80 ene and n-heptane was used in [30] to calculate si
60
as a function of pressure and temperature from
PR

which a simpler Arrhenius type relationship for


40
si with a pressure correction was established (Eq.
20
(15)). In Eq. (15) si is in ls, pressure, P, is in
0
bar (0.1 MPa) and temperature, T, is in K.
-20 R² = 0.8502  
6626 1:21
-40 si ¼ 83:1 exp P ð15Þ
0.5 0.6 0.7 0.8 0.9 T
SLmax from Farrell et al [66] m/s
The Livengood-Wu integral was calculated for sev-
Fig. 8a. Preignition Resistance (PR) vs Maximum eral knocking cycles in two different engines using
Laminar Burning Velocity, SLmax at 0.3 MPa and Eq. (15) and the measured in-cylinder pressure
450 K. Data taken from [59]. and temperature. The crank angle position for the
onset of knock estimated using this method was
140
in excellent agreement with the observed value indi-
120 cating that Eq. (15) is a very good predictor of si for
100 a European premium (RON98) gasoline. The
excitation time, se, was defined in [30] as the time
80
from 5% of maximum to the point of maximum
60 R² = 0.2502 heat release rate. With the same kinetic mechanism
PR

40 but using the smallest time increment available in


CHEMKIN [68], the chemistry simulation soft-
20
ware used, a single equation, Eq. (16), could be
0 found for se in ls with, P, in bar and T, in K.
 
- 20 799 0:456
se ¼ 3:07 exp P ð16Þ
- 40 70.0 80.0 90.0 100.0 110.0 120.0
T
RON The temperature gradient in Eq. (9) and the radius
Fig. 8b. PR vs RON. Data from [59].
of the hot spot, r0, in Eq. (11) were assumed and n
and e could be estimated [30,59] for the conditions
of interest. It could then be shown that the cycles
140
which showed extremely high knock intensity,
120 such as cycle S2 in Fig. 7, fell well within the
100 DD peninsula in Fig. 5. However, the “normal”
knocking cycles where autoignition of the endgas
80
started at relatively low pressures and tempera-
60 R² = 0.3309 tures, such as cycle N2 in Fig. 7, fell outside this
peninsula. Rudloff et al. [60] have also explained
PR

40
their experimental results in a similar manner.
20
Thus very high knock intensities in superknock
0 can almost certainly be attributed to DD. These
- 20 points are discussed in much greater detail in
[59] and in Ch.5 of [2].
- 4070.0 80.0 90.0 100.0 110.0 Peters et al. [69] have used a refinement of turbu-
MON lence theory to estimate the joint probability of the
temperature gradient and the length scale, l, over
Fig. 8c. PR vs MON. Data from [59]. which the temperature gradient exists; l is taken as
a measure of r0. They can then estimate, using
Eq. (14) (see Fig. 8a) but very little correlation Fig. 5, the probability of DD occurring in an engine
with RON (Fig. 8b) or MON (Fig. 8c) of the fuels, running at a given pressure and temperature regime
again as expected, since autoignition of the bulk on a fuel whose autoignition behavior can be mod-
mixture plays no role in preignition. elled. This approach, unlike previous analyses,
includes turbulence and does not require any
5.2.2. Superknock assumptions to be made about the size or the tem-
The pressure and temperature at the start of perature gradient associated with the hot spot.
autoignition, Pai and Tai are estimated from the In general, fuels which are more resistant to
measured pressure curve as in Fig. 7. The acoustic autoignition will have lower values of ua [37] as

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12 G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx

can be inferred from Eq. (10) because they will [72] when combustion starts after the final fuel
have higher ignition delays, si. Hence all else being injection is over and the engine-out smoke is very
equal, the likelihood of a DD decreases as the low- below 0.05 FSN (filter smoke number). A rel-
resistance of the fuel to autoignition increases evant time scale is the Ignition Delay, ID, which is
[37,69]. Fuels like ethanol and hydrogen are very defined as (SOC – SOI) where SOC and SOI are
susceptible to preignition because of their high respectively, the crank angle at the start of com-
laminar burning velocities but, because of their bustion and the start of the final fuel injection.
higher resistance to autoignition, preignition It is to be noted that ID differs from the ignition
might not lead to superknock. Given the increas- delay in pre-mixed systems in that ID will also
ing importance of ethanol as a gasoline compo- depend on the physical mixing process of the fuel
nent, this area needs further investigation. and air in addition to the chemical structure of the
fuel and the pressure and temperature history.
PCI combustion, and hence simultaneous reduc-
6. Implications for CI engines tion of NOx and soot, is very difficult to achieve
with conventional diesel fuel which ignites readily
Soot formation can be minimized by ensuring i.e., ID is very low. It is often not possible to com-
that the equivalence ratio, u, of the mixture pack- plete the injection of fuel, particularly at higher
ets where combustion occurs is not greater than loads, before combustion starts with conventional
u > 2 whereas NOx formation can be minimized diesel fuels and the diesel fuel will burn in a quasi-
if the combustion temperatures are kept below steady jet diffusion flame [71].
about 2200 K [70,71]. Combustion temperatures
and hence NOx can be reduced by increasing the 6.1. Gasoline Compression Ignition (GCI)
use of exhaust gas recirculation (EGR). Engine-
out soot reflects the balance between the forma- PCI combustion is much easier with fuels in
tion and the in-cylinder oxidation of the soot that the gasoline autoignition range (RON > 60)
is formed. Both the temperature and oxygen con- because the higher ignition delay allows more time
tent in the cylinder decrease if EGR level is for mixing of the fuel and oxygen before combus-
increased in order to control NOx, oxidation of tion starts [e.g.,[72–79]]. This approach can be
soot decreases and engine-out soot or particulate termed Gasoline Compression Ignition, GCI –
matter (PM) increases leading to the well-known see Chapter 6 in [2] for a more detailed discussion.
NOx/PM trade-off in diesel engines. If soot for- Fuel is injected earlier compared to the diesel fuel
mation is avoided in the first place by ensuring to get the same combustion phasing as with diesel
that the equivalence ratio everywhere in the cylin- fuel. The extra time available ensures much
der at the time of combustion is below the soot greater mixing of fuel and air compared to the die-
forming limit, EGR can be used to control NOx sel fuel before combustion starts. However the
without increasing engine-out soot. In general, if fuel must not be injected too early or else the fuel
NOx is controlled through low temperature com- and air will be too well mixed and conditions
bustion, HC and CO increase and have to be con- approach HCCI conditions.
trolled via exhaust after-treatment. GCI combustion is easier to achieve than
In HCCI engines the global u < 1 and fuel and HCCI combustion – even at engine operating con-
air are fully premixed so that soot formation can ditions where HCCI combustion is not possible,
be avoided. Use of EGR combined with boosting there is an injection timing window available for
allows the maximum load at which HCCI com- each fuel and operating condition for GCI where
bustion with low NOx and acceptable pressure combustion is stable and combustion phasing can
rise rate. However, there is no in-cycle control of be controlled by injection timing [73]. In contrast,
combustion phasing in HCCI engines. Engine sys- at conditions where GCI combustion is not possi-
tems which work in HCCI mode where feasible ble, HCCI combustion will also not be possible. In
and switch to SI mode where HCCI combustion HCCI combustion, the mixture is nominally
is not desirable, particularly at high load, have homogeneous so that if the pressure and tempera-
been developed. The fuel requirement as well as ture history is not right, the mixture might not
engine design (e.g., compression ratio) of such a ignite at all. If there is sufficient inhomogeneity
system is determined by the need to avoid knock in the mixture autoignition will occur somewhere
in the SI mode at high load. Hence such an engine and combustion will start in the cylinder and will
will need high anti-knock quality gasoline. promote combustion of the rest of the charge by
In conventional diesel engines combustion increasing the pressure and temperature. It is pos-
phasing is controlled by the timing of the final fuel sible that in such a combustion system local flame
injection. In such systems, soot formation can fronts might exist and not all combustion will be
be avoided only if the final injection of fuel is via autoignition. Fuel and air must be “premixed
completed sufficiently before combustion starts. enough” everywhere in the cylinder before com-
Premixed compression ignition (PCI) combustion bustion occurs to avoid soot formation but must
to avoid soot formation was defined to occur in not be fully premixed as in HCCI combustion.

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At high loads proper stratification or inhomoge- injection pressures need not be as high as with die-
neity will ensure that heat release is distributed sel fuel [75,78,79]. Indeed at low loads, lower
in time so that the peak heat release rate and the injection pressures significantly improve combus-
maximum pressure rise rate will not be too high. tion stability and reduce CO and HC emissions,
This can be achieved through multiple injections apparently by increasing the stratification. There
of the fuel [e.g. [74,76,78]]. is great scope for reducing the cost of the injection
system compared to modern diesel engines by
6.2. Fuel autoignition quality and volatility effects reducing the injection pressure.
in GCI engines With GCI, HC and CO emissions will, in gen-
eral, be higher than in conventional diesel com-
If there is sufficient ignition delay, low NOx bustion and will have to be controlled by
and low soot operation can be obtained even with appropriate exhaust after-treatment. The focus
a relatively low volatility fuel, in the diesel boiling of exhaust after-treatment shifts to oxidation of
range, containing very high levels (75%) of heavy HC and CO, which should be relatively easy in
aromatics [Chapter 6 in [2]]. In PCI combustion, if the oxygen-rich exhaust, compared to the control
two fuels have the same ID at a given operating of NOx as in conventional diesel engines. There is
condition, they have comparable NOx, smoke, scope to simplify the after-treatment system com-
CO, ISFC and MPRR regardless of any differ- pared to advanced diesel engines. However, if
ences in volatility or composition [72]. NOx is controlled in-cylinder at sufficiently low
Moreover, if the RON and MON can be mea- levels, exhaust gas temperatures will be lower than
sured i.e., if the fuels are in the gasoline boiling found in conventional diesel engines and this will
range, ID correlates very well with OI (Eq. (1)) make oxidation of HC and CO more challenging.
with the K value highly negative [72]. Depending Very high efficiencies can be achieved with
on engine design, the optimum RON for GCI GCI. Indicated fuel efficiencies of up to 56% have
appears to be between 70 and 85 [2] – much lower been measured with single fuel [76] as well as dual
compared to current gasolines. Ignition delay fuel [80] operation in heavy duty engines running
depends non-linearly on OI. If the RON of the at medium to full load. In light duty engines, com-
fuel is too low, ID will be low and comparable pared to running the engine on gasoline in SI
to conventional diesel fuel – PCI combustion mode, fuel consumption could be reduced by up
becomes difficult. On the other hand if RON is to 26% [78,79].
too high, ID will be too high and make starting
and low load operation more difficult. 6.5. Modelling requirements for GCI engines

6.3. Dual fuel or Reactivity Controlled CI (RCCI) There are many engine operating and design
parameters such as speed, injection pressures,
One way of dealing with the requirement of injection strategies, EGR levels, valve timings,
varying ID at different operating conditions is intake pressure and temperature, compression
the dual fuel approach, termed Reactivity Con- ratio and injector design that can be varied to
trolled CI (RCCI) by Reitz and co-workers [80]. meet required targets for efficiency, emissions
In this approach, a fuel with high resistance to and pressure rise rates. Reliable models which
autoignition such as commercially available gaso- can guide experiments and optimization would
line or a mixture of gasoline and ethanol or natu- be valuable in the development of this approach.
ral gas is injected in the port and ignition is Some examples of such modeling efforts are
triggered by the direct injection of a fuel of high reported in [e.g., [81–83]].
reactivity such as commercially available diesel The models need to predict the spatial and
fuel near top dead center. The ratio of the two temporal development of the mixture in the cylin-
fuels used is changed depending on the engine der and combine this with an appropriate chemi-
operating condition (e.g., relatively more diesel cal kinetic model which predicts autoignition in
fuel is used at low loads). However, over a normal the cylinder. The kinetic model needs to be small
operating range the amount of diesel fuel used is enough so that it can be merged with a mixing
around 10% of the total fuel used. As summarized model. The simplest kinetic surrogate for gasoline
in [80], RCCI combustion is capable of operating is a mixture of iso-octane, n-heptane and toluene
over a wide range of engine loads with near zero which has the same RON and MON [72]. There
levels of NOx and soot, acceptable pressure rise is a need to develop simpler, well-validated kinetic
rate and noise, and very high indicated efficiency. schemes for such surrogates which can be used
with CFD mixing models.
6.4. Advantages and challenges of GCI for engine
design 6.6. Outlook for GCI engines

In GCI, mixing is dominated by the ignition GCI offers the possibility of a relatively cheap
delay rather than the injection event and hence but efficient engine and after-treatment system

Please cite this article in press as: G.T. Kalghatgi, Proc. Combust. Inst. (2014), http://dx.doi.org/
10.1016/j.proci.2014.08.031
14 G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx

with acceptable emissions. Moreover, the fuel make fuel antiknock quality more impor-
needed could have much lower octane (70–85 tant. Moreover for a given RON a lower
RON) than today’s gasolines and could contain MON fuel will have higher antiknock qual-
components in the diesel boiling range. Indeed ity where the engine is knock limited in such
refinery components like straight run gasoline engines. Higher fuel antiknock quality is
from the initial distillation of crude oil would have also likely to mitigate “superknock” in
octane numbers near this range and could be used turbo-charged SI engines. Fuel specifica-
with little or no upgrading in such engines. tions which assume that MON contributes
Development work is needed to ensure reliable to higher antiknock quality might need to
cold start, idle and transient operation, acceptable be changed as the gap between engine
driveability and compliance with emissions regu- requirements and specifications widens.
lations, particularly on CO and HC. The fuel will (e) The primary development trend in diesel
need to have sufficient lubricity and detergency (to (conventional CI) engines is to reduce soot
keep the injector clean) and this can be achieved and NOx at affordable cost without com-
by the use of appropriate additive packages. promising efficiency. This is best achieved
In the short term, say up to 2020, we should by running CI engines on “low quality” gas-
expect that diesel fuel (CN > 40) will continue to oline – RON between 70 and 85 and no
be used in CI engines because there has been so strict demands on volatility. This approach
much investment made by all the OEMs in devel- can be termed Gasoline Compression Igni-
oping the engine and after-treatment technology tion (GCI).
for such systems. However, such engines will try (f) GCI has the following advantages – 1.
to use PCI combustion as much as possible and Opens up a path to mitigate expected
will have to use higher injection pressures to demand imbalance between heavy and light
achieve this while using conventional diesel fuel. fuels, 2. Offers at least diesel-like efficiency
Such systems will also have to use extensive at lower cost compared to running diesel
after-treatment to meet increasingly stringent engines on conventional diesel fuels, 3. Uses
emissions standards on NOx and soot. This will fuels that are “less processed” compared to
increase their cost and also might reduce their effi- current gasoline and diesel that might be in
ciency (e.g., because of the extra fuel to be used in surplus otherwise. Such fuels are likely to
the regeneration of diesel particulate filters or require less energy to produce compared
because of lower compression ratios used to to current gasoline and diesel fuels.
increase ignition delays). Simultaneously global
demand for diesel fuel will increase more than Thus, current trends in engine development
for gasoline and large investments, running to will cause the increase in transport fuel demand
hundreds of billions of dollars, will be needed in to be skewed towards middle distillates (diesel
the refining industry to supply this increased and jet fuel) and high octane gasoline. It will
demand and meet the changed demand structure. require investments running into hundreds of bil-
Even with such investments, light fractions such lions of dollars globally by the refining industry
as straight run gasoline with low octane numbers and will lead to a surplus of low-octane compo-
which normally would have been further processed nents such as naphtha. This is likely to prove very
to make gasoline will be in relative abundance. challenging for the refining industry and also, in
Indeed, this imbalance in demand growth between general, for the efficient use of petroleum Devel-
light and heavy fuels is likely to become a more opment of new efficient fuel/engine systems which
compelling driver for the development of GCI can use such low-octane components will help in
engines than the technical benefits from both the meeting these challenges.
engine and fuels points of view discussed above. Based on the preceding discussion, a personal,
and hence partial, list of combustion science issues
7. Summary and concluding remarks that are of relevance to fuel and engine studies is
given below.
(a) Even by 2040, transport energy will mostly
(90% share) come from petroleum-based (a) Explain, in chemical kinetic terms why the
liquid fuels. pressure exponent, n, in Eq. (7) is different
(b) There will be sufficient oil globally to meet for PRF and non-PRF fuels.
the increasing global demand for transport (b) Autoignition phasing in knock, HCCI and
energy. PCI combustion is very well predicted by
(c) Under the current technology trajectory, OI regardless of whether the sensitivity of
the growth in global transport fuels demand gasoline arises due to olefins, aromatics or
is very heavily skewed towards commercial oxygenates such as ethanol or MTBE
transport and hence heavier fuels. [18,24,50,52,72]. Volume concentrations of
(d) The primary development trend in SI oxygenates were high in some of these studies
engines is to improve efficiency. This will e.g., ethanol at 20% in [24] and 63.5% in

Please cite this article in press as: G.T. Kalghatgi, Proc. Combust. Inst. (2014), http://dx.doi.org/
10.1016/j.proci.2014.08.031
G.T. Kalghatgi / Proceedings of the Combustion Institute xxx (2014) xxx–xxx 15

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