Applied Energy 213 (2018) 450–468

Contents lists available at ScienceDirect

Applied Energy
journal homepage: www.elsevier.com/locate/apenergy

Numerical investigation on adding/substituting hydrogen in the CDC and T

RCCI combustion in a heavy duty engine
⁎
Rouhollah Ahmadi , S. Mohammad Hosseini
School of New Technologies, Iran University of Science and Technology, Tehran, Islamic Republic of Iran

H I G H L I G H T S

• Hydrogen addition/substitution on CDC and RCCI combustion is simulated.

• Impact of hydrogen replacement to diesel/methane from 0% to 70% are examined.
• The best condition for lowest pollutant emissions are determined.
• Varies blend of fuels methane, diesel, gasoline and hydrogen are compared.

A R T I C L E I N F O A B S T R A C T

Keywords: In this paper, the influence of hydrogen addition or substitution on Conventional Diesel Combustion (CDC) and
Conventional diesel combustion Reactivity Controlled Compression Ignition (RCCI) combustion at 1208 and 1300 rpm on medium load, without
RCCI exhaust gas recirculation (EGR) in Caterpillar 3401 heavy-duty diesel engine is numerically investigated.
Hydrogen Different parameters of the ringing intensity, heat efficiency, heat release, cylinder pressure variations, CO, soot,
Emissions
UHC, NOx and CO2 emissions are studied and compared with and without hydrogen combustion. It results that in
Simulation
CDC at 1208 rpm, if hydrogen is substituted to 40.2% of diesel input energy, the emission of CO, soot, UHC, NOx
Engine performance
and CO2 greenhouse will decrease to 98%, 27%, 99%, 13% and 38%, respectively; however, indicated work
suffers 1% reduction. On the other hand, in all states of hydrogen addition in CDC at 1208 rpm, all pollutant
emissions increase, but, this addition leads to increasing of output work. In the best case when hydrogen is added
to diesel by 55% of input energy, work increases by 43%; however, when hydrogen is added over than 55% of
input energy, knocking will happen. In RCCI combustion, when hydrogen is added or substituted, instead of
methane and diesel respectively, methane combustion will improve and emissions except NOx, will reduce.
Hydrogen addition in RCCI combustion at 1300 rpm causes the increment of chamber reactivity, which leading
to advance the ignition and hasten the rate of temperature and pressure rise in the chamber. The important result
is that the hydrogen substitution more than 11% of input energy for methane, and hydrogen addition more than
60% of input energy for diesel cause knocking phenomenon in RCCI engine. In the final, to make a compre-
hensive comparison the performance and pollutions of gasoline-diesel, methane-diesel, methane-diesel-hy-
drogen and diesel-hydrogen combustions in this engine are compared among several studies.

1. Introduction compression ignition (RCCI) combustion is an approach with high ef-

Diesel engine due to its high efficiency is widely used in transpor-
tation and electricity production. However, because of its type of
combustion in direct injection (DI) engine, its NOx and soot emissions
are significant. Significant efforts have been made by researchers to
reduce these emissions. A simple solution to overcome this problem is
reducing the factors producing such emissions in origin. Using other
fuels producing lower pollutant emissions is one solution. Changing
combustion strategy is another possible method. Reactivity controlled
ficiency and low emissions such as NOx and soot; however, CO and
unburned hydrocarbons (UHC) emissions are still much in this com-
bustion [1,2].
Due to the resemble of the hydrogen combustion characteristics
with fossil fuels, hydrogen can be an appropriate alternative to fossil
fuels if it is obtained from clean upstream resources. Since 70% of the
earth surface is covered by water, hydrogen can be under the clean
renewable fuels category. The combustion of hydrogen without pre-
sence of any hydrocarbon produces only NOx emission. However,

⁎
Corresponding author at: Narmak, Tehran 1684613114, Islamic Republic of Iran.
E-mail address: ahmadi@iust.ac.ir (R. Ahmadi).

https://doi.org/10.1016/j.apenergy.2018.01.048
Received 10 September 2017; Received in revised form 16 December 2017; Accepted 19 January 2018
0306-2619/ © 2018 Elsevier Ltd. All rights reserved.
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

Nomenclature ω̇m molar production rate (kmol/m3.s)

σn predefined fn variance
A0 fluid flow constant δml Dirac delta function
Cn maximum nucleation rate (1/m3s ) Δhf0 heat of formation of species m at absolute zero (kJ/kmol)
D diffusion coefficient (m2/s ) ρ density (kg/m3)
f mixture fraction (of fuel) η efficiency
fn mixture fraction for maximum nucleation rate
F rate of momentum gain per unit volume Abbreviations
g specific body force, assumed constant (m/s2 )
I specific internal energy (J/kg ) AFR Air to Fuel ratio
k k turbulent kinetic energy (J) AI Accumulative Irreversibility
K Kelvin ATDC After Top Dead Center
m mass AW.E Accumulative Work Exergy
P pressure (Pa) BTDC Before Top Dead Center
PO2 partial pressure of oxygen C.A Crank Angle
c CDC Conventional Diesel Combustion
Q̇ source term due to chemistry (W/m3 )
̇ s CO Carbon Monoxide
Q source term owing to spray (W/m3 )
R Universal Gases Constant CO2 Carbon Dioxide
S∅s source term of the conservation equation D-G Diesel-Gasoline
Sn nucleation source DI Direct Injection
SO2 oxidation source D-NG Diesel-Natural Gas
T temperature D-NG-H2 Diesel-Natural Gas-Hydrogen
u velocity (m/s ) EGR Exhaust Gas Recirculation
V volume EVO Exhaust Valve Opening
W work GIE Gross Indicated Efficiency
Y mass fraction HHV High Heat Value
HICE Hydrogen Internal Combustion Engine
Subscripts HRR Heat Release Rate
IVC Intake Valve Closing
f fuel LHV Low Heat Value
m number of species in chemical kinetics mechanism LTHR/HTHR Low/High-Temperature Heat Release
NOx Nitrogen Oxide
Superscripts PRR Pressure Raise Rate
RCCI Reactivity Controlled Compression Ignition
c chemistry source RI Ring Intensity
s number of species in chemical kinetics mechanism RPM Revolution Per Minute
SCOTE Single Cylinder Oil Test Engine
Symbol Greek SFC Specific Fuel consumption
SUB Substitution
ρ̇mc density change rate due to chemistry (kg/m3.s) TDC Top Dead Center
ρ̇s density change rate owing to spray (kg/m3.s)
ε dissipation rate of turbulence (J/kg·s)

Table 1
because of hydrogen storage difficulties, the high cost of extraction, low Comparison of diesel fuel, methane and hydrogen characteristics [9,53,54].
required ignition energy (the high tendency of the knocking phenom-
enon), this fuel is not considered as a common fuel right now, except in Properties Diesel Methane Hydrogen
fuel cells. Instead, small amounts of hydrogen can be used as a sec-
Formula n-C8H18 CH4 H2
ondary or additive fuel in some investigations [3,4]. Table 1 demon- Autoignition temperature (C) 180–320 540–630 585
strates the details of the hydrogen fuel in comparison to diesel and Minimum ignition energy (MJ) – 0.3 0.02
methane fuels. The effect of air–fuel ratio (AFR), engine speed and the Flammability limits (volume% in Air) 0.6–5.5 5–15 4–75
concentration of hydrogen on the power output are addressed in several Stoichiometric air–fuel ratio on mass basis 14.5 17.2 34.3
g 100 16 2
studies. Osama [5] in a simulation shows that for AFR < 15 adding Molecular weight ( )
mole
5–10% hydrogen and for AFR > 15 adding 30% hydrogen will im- Density at 160C and 1.01 bar
kg 833–881 0.668 0.0838
m3
prove engine performance. Also, the output power rises up to 14%
45.1 50 119.93
compared with pure diesel injection. In the other work [6], the influ- Net heating value (Lower) ( ) MJ
kg
ence of hydrogen injection types on the engine performance is in- 37–43 37–45 265–325
vestigated. It results in adding hydrogen into the intake manifold owing
Burning velocity in NTP ( )
cm
s
Quenching gap in NTP Air (cm) – 0.203 0.064
to the better mixture of hydrogen with air would increase engine effi- – 0.16 0.63
cm2
ciency up to 19% in comparison to direct injection of hydrogen. Using Diffusivity in air ⎛ ⎞
⎝ s ⎠
solenoid valve to inject hydrogen into the intake manifold causes the Research Octane number 30 > 122 130
engine performance rises to 9% in comparison to normal performance Cetane number 40–55 – –
Boiling point (K) 436–672 111 20–27
[7]. Separately, the impact of a portion of hydrogen addition to fuel was
Viscosity at 15.5 °C, centipoise 2.6–4.1 0.011 0.00875 (gas)
investigated by researchers. It is reported in an investigation [8] that 2.05 2.22 14.89 (gas)
adding 5% hydrogen reduces the combustion time, and adding more Specific heat Cp( kJ
kg K
@300k)

451
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

than 15% hydrogen leads to the knocking phenomenon. In another

experimental investigation [9], adding hydrogen to the diesel at three
different loads and three different durations of hydrogen injection was
studied. It results in the addition of hydrogen instead of diesel energy
leads to a delay in the ignition and will reduce the pressure inside the
cylinder. The influence of adding hydrogen on the pollutants CO and
UHC were investigated by some researches [10,11]. The attenuation of
CO and UHC pollutants is referred to the gaseous state of hydrogen [10]
or is related to the non-existence of carbon in the hydrogen structure
[7]. Choi [12] concluded in his investigation that the total hydro-
carbons emission can be diminished if the relative air–fuel ratio (λ)
increases from 0.76 to 1.3 or hydrogen is added. It also results in the
increase in λ > 1.2 lead to the maximum NOx emissions, and NOx
emissions increased by 10% adding hydrogen in the interval of
(0.9 < λ < 1.15). Hoekstra and Tanaka [13] believe that the high
φ = 1/λ (φ > 0.33) causes the rise of combustion chamber tempera-
ture to over 1800 K and the increase of is the NOx emissions. Miyamoto
[14] found that NOx emissions is reduced if more than 10 volumetric
percent of hydrogen is injected to the diesel. It will retard combustion
and diminish the combustion temperature. Multiple spraying, using Fig. 1. Region for RCCI combustion on a φ-T map.
exhaust gas recirculation technology, water injection [15], using post
refining or three-way catalysts are other alternative to reduce NOx
natural gas reduces CO, HC, PM and CO2 emissions, but due to its high
emissions. In regard with CO and CO2 emission, in the low temperature
flame temperature NOx emissions rise [29–31]. These results make this
chamber the reactivity of the mixture in the cylinders reduces, and
conjecture that the addition of hydrogen to any type of combustion, in
consequently, it reduces the converting of CO to CO2 [16,17]. Fur-
which natural gas is the primary fuel such as natural gas-diesel com-
thermore, the gap between the cylinder and piston can influence CO
bustion in the RCCI combustion, will reduce pollutant emissions.
and UHC emissions because of its low temperature due to the in-
Some investigations on the effects of hydrogen addition to the RCCI
complete combustion [18]. In a study [19], the reason for soot emis-
combustion have been done. Liu et al. [32] has conducted a numerical
sions reduction when hydrogen is added to the fuel is contributed to the
study on hydrogen impact on natural gas/dimethyl ether dual-fuel en-
water produced due to the hydrogen reaction. The injection place of the
gine (RCCI), and conclude that hydrogen addition advances ignition
hydrogen was examined by several researchers. For example, Masood
[20] revealed that by injecting hydrogen in the injection port, lower and increases cylinder pressure. Hydrogen impact on ignition is more
significant than its effect on final stages of combustion. CO pollution
emissions owing to homogeneous mixture will be produced.
decreases and it is mostly produced by natural gas. Hydrogen addition
Nonetheless, there are some contradictions in results reported in
increases the amount of NOx pollution which is due to high cylinder
researches done on hydrogen – diesel fuel mixture. For instance, Karag
temperature. Injection strategy and pilot fuel amount (dimethyl ether)
[21] investigated the influence of the engine load on engine perfor-
have a great impact on NOx output. In the other numerical study [33],
mance and emission by replacing 30% of the total energy input by the
the impact of hydrogen, nitrogen and reformer gas on diesel/natural
hydrogen substituted for diesel in different engine loads and concluded
gas combustion has been examined in low and medium loads, using
that NOx emissions reduce in partial load mode and increase 50% in full
converge software. Regardless of the numerical distance between the
load. In the other work conducted by Madhujit et al. [22], it have been
reference article and the reference amounts mentioned in his study in
reported that by replacing 30% hydrogen, NOx emissions will increase
load state No. 9, he concluded that hydrogen impact on RCCI com-
by 400% at full load. Furthermore, in an experimental investigations
bustion is better and more efficient in low load state than medium one.
[7], it is expressed that at full load and replacement of 30% hydrogen
Due to low reactivity of methane, ignition delay is increased and
with diesel the amount of NOx reduces by 20% compared to the pure
emissions such as UHC and CO are more in RCCI combustion in this
diesel. The contradictory results may be because of the difference in
state (low load). Moreover, because of specific combustion properties of
experimental or numerical details of conditions or piston geometries.
hydrogen [34] which contribute of methane burning, decreases these
The difference between the two types of conventional diesel com-
pollutants and increases combustion efficiency. In this simulation, hy-
bustion and RCCI is shown in Fig. 1. In RCCI, blending in-cylinder of at
drogen was substituted to intake air in various volume fractions
least dual fuels with different reactivity as well as multiple injection
(0–5)%. It is also mentioned that hydrogen addition in low load is
will cause to optimize combustion consequence, magnitude and dura-
better than increasing pilot fuel (diesel) which causes emissions re-
tion. Blending of low reactivity fuel with air and injecting of the pilot
duction except for NOx. Due to further ignition delay of methane than
fuel with high reactivity before ignition of the premixed fuel will result
diesel and gasoline [25] in diesel/methane combustion, hydrogen
in the better combustion phasing. This RCCI reaction occurs in low
presence can decrease this delay leading to better burning of methane
temperatures, and hence NOx and SOOT are diminished in the exhaust
and the reduction of pollutants produced from lack of proper combus-
gases. But, because of its low reaction temperature, its CO and UHC
tion of methane.
remain high in relation to its conventional diesel. In a commercial state,
Sunmeet et al. [35] studied the performance and emissions of three
natural gas with low reactivity owing to the high octane (130) and high
different combustions in the EA10 engine at 1500 rpm and 5 kW power.
auto-ignition temperature 913 K is one of the interested fuels in the
They investigated the biodiesel CDC, biodiesel-CNG RCCI, and bio-
RCCI engine [23,24]. Also, natural gas has an ignition delay more than
diesel-hydrogen-CNG RCCI combustion. In this experiment, fixing the
diesel and gasoline [25]. These attributes cause the increase of HC and
injection timing has changed the quantity of natural gas and hydrogen
CO emissions through the natural gas-diesel combustion [26]. The ad-
proportional to the energy mix. It results that the combustion thermal
dition of hydrogen to natural gas lead to the lean limit of natural gas
efficiency of biodiesel-HCNG is 2% more than the biodiesel-CNG. He
combustion as well as the increase of gaseous fuel reactivity, which will
noted that if the energy of CNG > 54% and HCNG > 69%, the com-
promote the production of hydroxyl (OH) radicals [27]. Elevation of the
OH content leads to further oxidation of CO to CO2 and consequently bustion efficiency will be lower than pure biodiesel. Furthermore, the
pressure and heat release from the combustion of a blend of hydrogen
will reduce CO pollution [28]. In general, the addition of hydrogen to

452
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

and natural gas is higher than pure biodiesel and biodiesel-CNG com-
bustion because of shorter ignition delay and higher flame velocity. The
most important result is that the UHC and CO emissions in pure bio-
diesel combustion are 0.07 and 0g/kWh respectively, while with the
addition of natural gas they rise to 0.82 and 7.67g/kWh, and by adding
hydrogen to methane they re-diminish to 0.54 and 5.25g/kWh re-
spectively. On the other hand, in biodiesel combustion, the emission of
NOx is 4.78g/kWh. With the blend of CNG in RCCI combustion, NOx
emission reduces to 1.75g/kWh due to the reaction of some methane
radicals with NO. However, as hydrogen is added to CNG, rising
chamber temperature, the turbulent jet flame of hydrogen and hydro-
carbon fuel leads to the formation of thermal NO to 2.56g/kWh [36].
According to aforementioned studies, a numerical study which in- Initial Condition at (IVC) 1208 rpm 1300 rpm
vestigate the impact of adding and substituting hydrogen to/for diesel Pressure 1.9 bar 1.6 bar
and natural gas in CDC and RCCI combustion is not considered. Hence,
Temperature 373 k 361 k
in the present study a numerical simulation of Caterpillar 3401 heavy-
duty diesel engine in typical combustions of RCCI and CDC in different Swirl/Tumble 846.5 910
amounts of adding or substituting hydrogen in terms of input energy in
Fig. 2. Model geometry, discretization, initial and boundary condition used in the si-
medium load is performed and compared accordingly. The compre-
mulation.
hensive study to obtain the performance and pollutant emission rate in
different types of combustion and in the presence of hydrogen, is the
main aim of this paper. Furthermore, the performance of these two is performed just for 1/6 of the piston volume by DIESEL-ESE module
combustions is compared with the diesel-gasoline RCCI combustion, and it is depicted in Fig. 2 [3]. Indeed, if this sector is repeated six
investigated by Kokjohn [37] in the same condition. This worthwhile times, it makes full geometry of a combustion cylinder; therefore, the
comparison can be made since the rpm in both combustions are close to boundary condition of both sides of this sector are periodic condition.
each other. Other boundary conditions are constant temperature. The initial and
boundary conditions are also demonstrated in Fig. 2. For modeling
turbulence, evaporation, wall interaction, combustion and heat transfer
2. Modeling and validation there are some approach which ones used in this simulation are listed in
Table 3. The detail of these modeling can be found in the references
2.1. Numerical model cited in this table. Here, a summary of relations and methodology is
presented. In order to speed up the calculations, the multi-zone has
The specifications and parameters of the engine simulated in this been activated. The AVL Fire employed finite volume method to dis-
study, are demonstrated in Table 2. To simulate combustion of die- crete all governing relations for each cell. In the course of combustion
sel–hydrogen fuel, AVL-FIRE software is used. In order to reduce the calculations, each computational mesh is treated as a constant volume
computational cost and because of the geometrical symmetry, meshing reactor. Continuity equations is as follow:

Table 2 ∂ρm ρ
+ ∇ ·(ρm u) = ∇ ·⎡ρD∇ ⎜⎛ m ⎟⎞ ⎤ + ρṁc + ρ ṡ δml
Caterpillar engine specifications and conditions 1208 & 1300 RPM. ∂t ⎢ ⎥
⎣ ⎝ ρ ⎠⎦ (1)
Type of engine Caterpillar 3401 Caterpillar 3401
where ρ, ρm , u, D, ρ̇mc , ρ̇s and δml are total density, density of species m,
(1208 rpm) (1300 rpm)
velocity, diffusion coefficient, combustion parameter, spray parameter
Stroke (m) Cylinder bore × 0.1375 × 0.2616 0.1375 × 0.2616 and delta Dirac function, respectively. The momentum, energy and
Connecting rod length (cm) 0.1651 0.1651 transport equations are as follow:
Displacement (lit) 2.44 2.44
Injector holes diameter ( μm ) 259 259 ∂ρu 1 2
+ ∇ ·(ρuu) = − 2 ∇P−A0 ∇ ⎛ ρk ⎞ + ∇ ·σ + F s + ρg
Number of holes 6 6 ∂t a ⎝3 ⎠ (2)
Swirl ratio (nominal), S0 1 1
Number of valves 4 4 ∂ c s
Number of cylinders 1 1
(ρI ) + ∇ ·(ρuI ) = −P∇ ·u−(1−A0 ) σ : ∇u−∇ · J+ A0 ρε + Q̇ + Q̇
∂t (3)
Intake valve closing (ATDC) −143 −143
Exhaust valve opening 130 130 ∂
(ATDC) (ρYm) + ∇ ·(ρuYkm) = ∇ ·(D ym ∇Ym) + ρṁc
∂t (4)
Compression ratio 16.1 16.1
Included spray angle (deg) 145 145 where in Eq. (2), P, a & A0, k, σ and Fs
are pressure, constant, turbu-
Engine speed (rpm) 1208 1300 lence kinetic energy, viscous tension tensor and force pertaining to
g 1.19 89 c s
Fuel flow rate ( ) spray, respectively. Moreover, I, J, ε, Q̇ , Q̇ and Ym are internal energy,
s
g
Air flow rate ( ) 0.042 85 hear flux, energy dissipation, chemical reaction parameter, spray
s
Injected duration (CA) 22 −87.3
Diesel injection pressure 755 −38.3 Table 3
(bar) Models used in simulation.
EGR (%) 0 40
Intake pressure (bar) 1.72 1.45 Name of model
Intake temperature (C) 36 0
Air: fuel ratio (–) 36 60 Turbulence RNG k−ε [55]
Diesel SOI (deg ATDC) −10 0.36 Evaporation Dukowicz [56]
Spray cone angle (deg) 10 10 Wall interaction Walljet1 [57]
Temperature at IVC (K) 373 361 Combustion Fire - Chemkin
Pressure at IVC (bar) 1.9 1.6 Heat transfer of wall Han-Reitz [58]
Swirl/Tumble 846.5 910 Breakup KH-RT [59]

453
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

parameter, and mass ratio of species m, respectively. Table 4

In this relations all specifications can be obtained using ideal gas Species used in simulation.
c
relation for each species or mixes. Also, ρ̇mc in Eqs. (1) and (4) and Q̇ in
No Species No Species No Species No Species No Species
Eq. (3) are the source terms that need to be calculated by combustion
model. Mathematical descriptions of these terms are as follows: 1 nc7h16 11 h 21 c2h4 31 n 41 ch2cho
2 o2 12 o 22 c2h5 32 n2o 42 ch2co
ρṁc = Wm ω̇m (5) 3 n2 13 ch3o 23 c3h4 33 no2 43 ch3o2
4 co2 14 ch2o 24 c3h5 34 no 44 ch3o2h
M
c 5 h2o 15 hco 25 c3h6 35 ic8h18 45 c2h5oh
Q̇ = − ∑ ω̇m (Δhf0)m 6 co 16 ch2 26 c3h7 36 c8h17 46 ch3choh
m=1 (6) 7 h2 17 ch3 27 c7h15-2 37 c8h17oo 47 ch3ch2o
8 oh 18 ch4 28 c7h15o2 38 ic8ket21 48 ch3cho
where Wm is molar mas of species m. The aim of any chemical com-
9 h2o2 19 c2h2 29 c7ket12 39 c6h13co 49 ch3co
bustion model is obtaining the chemical species net production rates 10 ho2 20 c2h3 30 c5h11co 40 c4h9 50 c2h6
(ω̇m ).

ω̇m = kfr ∏ (ρm / Wm)amr −kbr ∏ (ρm / Wm)bmr species used in this mechanism are demonstrated in Table 4.
m m (7)
N-heptane instead of diesel with LHV of 45.1 MJ/kg and hydrogen
Here, kfr and kbr are the constant rate of forward and backward of by LHV of 119.93 MJ/kg is considered as fuels in this study. Simulation
reaction r, and amr and bmr are stoichiometric ratio for reaction r as of NOx emissions is performed by 4 species (items 31–34 of Table 4)
follow: and 12 reactions, which is the reduced form of GRI-NOx mechanism
[39]. Hydrogen is added to the intake port and it is assumed that at the
∑ amr x m ↔ ∑ bmr x m
moment of IVC, hydrogen is mixed homogeneously with the air within
m m (8)
the chamber. To model the soot emissions, the Hiroyasu-Nagel model,
In Eq. (8), xm indicates species m. To calculate the molar production which is embedded in the software, is used [40]. Mass conservation of
rate of chemical species that participate in chemical kinetic mechan- soot is as follows:
isms, chemistry solver coupled with the AVL-Fire Code and term.dat
∼
and mech.dat files are used. The relevant files are taken from Dr. Adam ∂ ∼ ∂ ∂ ⎛ μeff ∂∅s ⎞
(ρ∅s ) + (ρuj ∅s ) = ⎜ ⎟ + S∅s
[25]. It should be noted that, to obtain the molar production rate of ∂t ∂x j ∂x j ⎝ σs ∂x j ⎠ (9)
chemical species participated in chemical kinetics mechanism, espe-
cially in RCCI with multi fuel, the gas phase kinetics library of where the rate of soot formation S∅s depends on nucleation source Sn
CHEMKIN is integrated into AVL-Fire code. Here, a new subroutine is and oxidation source SO2 . Oxidation source can be determined by
developed and replaced with the AVL-Fire chemistry subroutine chem knowing soot mass fraction ∅s , partial pressure of oxygen PO2 , and local
and plays as an interface between AVL-Fire and CHEMKIN. The com- temperature T as expressed in following relations.
bustion source terms can be updated using this subroutine. For solving S∅s = Sn + SO2 (10)
the chemistry during multidimensional engine, AVL-Fire code provides
the initial species concentration and thermodynamic information of ⎛ (f−fn)2 ⎞
⎜ ⎟
S n = C n e⎝ σn2 ⎠ (11)
each mesh at each time step passing CHEMKIN solver. Fig. 3 depicts the
detailed chemistry modeling scheme.
SO2 = −F (∅s ·PO2·T ) (12)
The mechanism employed in this paper has 50 species and 200 re-
actions used in Nieman mechanism [25] and the important reactions of In conventional diesel combustion CDC, soot formation rate and
hydrogen from San Diego are also added to mechanism [38]. The oxidation rate are respectively 1 and 0.06. Separately, in RCCI com-
bustion, 0.7 is set for soot formation rate and 0.06 is set for oxidation
rate.
To calculate the pollutants such as CO, unburned hydrocarbons,
NOx and greenhouse gas of CO2, the species in the mechanism are
applied. These pollutants are calculated since the moment of exhaust
valve opening (EVO).

2.2. Validation of the model

The combustion model of the closed cycle from the closing moment
of the intake valve to the opening instant of the exhaust valve is si-
mulated. The results are compared with the results of reference [41] in
CDC combustion and results of reference [25] in RCCI combustion.
Fig. 4 indicates cylinder pressure both in simulated and reference state.
The amount of predicted emissions and reference ones are also in-
dicated in Table 5. As can be seen, a good consistency between the
simulated results and references results are obtained. In this paper,
hydrogen is injected into the engine instead of a fraction of diesel fuel
energy as well as in addition to diesel fuel in CDC combustion. In-
dependently, in the RCCI combustion, hydrogen is injected instead of a
fraction of methane fuel as well as in addition to diesel fuel. The hy-
drogen-air mass fraction and amount of diesel in CDC, and the amounts
of methane fuel and diesel in RCCI combustions are demonstrated in
Table 6. Since one sixth of the cylinder is modeled, the fuel injection is
one sixth of total fuel value, consequently. The model geometry was
Fig. 3. Detailed chemistry modeling scheme.
discretized considerably fine. Nevertheless, to examine mesh

454
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

12.00 1500 Fig. 4. The validation cases pressure traces and HRR.

10.00 1300-simulation 1250

1300-experiment
1208-simulation
8.00 1208-Experiment 1000
Pressure (MPa)

HRR (J/deg)
1300-HRR-simulation
1300-HRR-experiment
6.00 1208-HRR-simulation 750
1208-HRR-experiment

4.00 500

2.00 250

0.00 0
577 597 617 637 657 677 697 717 737 757 777 797 817 837
CA

Table 5
Comparison of performance and emission results between simulation and experimental study of Tess & Kokjohn [25,41].

Indicated efficiency (%)

CO2 ⎛
g
⎞
⎝ kgfuel ⎠
UHC ⎛
g
⎞
⎝ kgfuel ⎠
CO ⎛
g
⎞
⎝ kgfuel ⎠
Soot ⎛
g
⎞
⎝ kgfuel ⎠
NOx ⎛
g
⎞
⎝ kgfuel ⎠
PRR ( )
bar
deg
RI ( )
MW
m2

1208 RPM Experiment * * * 0.076 10 4.9 0.9 48.2

Simulation 548 0.025 3.18 0.075 10.8 4.6 0.8 43
1300 RPM Experiment * 0.5 0.2 0.002 0.25 5.1 1.5 50.4
Simulation 400 0.7 0.9 0.002 0.28 5.4 1.3 50.5

Table 6
Mass fraction of hydrogen and air at IVC and the amount of diesel injected into the chamber in different amounts of hydrogen energy fraction 1208 & 1300 RPM.

Hydrogen (Energy %) Oxygen Nitrogen Hydrogen Diesel (mg)

1208-sub (CDC)
0 0.23292 0.76708 0 19.7
11 0.23265 0.76620 0.00113 17.56
17 0.23250 0.76573 0.00175 16.43
29.4 0.23219 0.76470 0.00309 14.04
40.2 0.23190 0.76375 0.00433 11.91
55.8 0.23147 0.76234 0.00618 8.84
72.2 0.23100 0.76077 0.00822 5.61

1208-Add (CDC)
0 0.23292 0.76708 0 19.7
11 0.23265 0.76620 0.00113 19.7
16.5 0.23250 0.76573 0.00175 19.7
28.7 0.23219 0.76470 0.00309 19.7
39.5 0.23190 0.76375 0.00433 19.7
55 0.23147 0.76234 0.00618 19.7
71.5 0.23100 0.76077 0.00822 19.7

Hydrogen (Energy %) Oxygen Nitrogen Methane Hydrogen Diesel (mg)

1300-sub-Methane (RCCI)
0 0.22820 0.75119 0.02059 0 2.225
5 0.22834 0.75164 0.01957 0.000429 2.225
11 0.22851 0.75219 0.01832 0.000964 2.225
16.75 0.22867 0.75273 0.01712 0.001463 2.225

1300-Add-Diesel (RCCI)
0 0.22820 0.75119 0.02059 0 2.225
5 0.22819 0.75114 0.02059 0.000068 2.225
11 0.22817 0.75108 0.02059 0.000150 2.225
17 0.22815 0.75102 0.02059 0.000232 2.225
29.8 0.22811 0.75088 0.02059 0.000410 2.225
41.6 0.22807 0.75076 0.02059 0.000574 2.225
59.3 0.22802 0.75058 0.02059 0.000819 2.225

455
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

12 600 Fig. 5. Mesh independency based on the in-cylinder

pressure history at 1208 rpm.
REFERENCES

28750-cell
10 500
38150-cell

48950-cell

8 65750-cell 400
Pressure (Mpa)

HRR-REFERENCES

HRR (J/deg)
HRR-28750
6 300
HRR-38150

HRR-48950

4 HRR-65750 200

2 100

0 0
577 597 617 637 657 677 697 717 737 757 777 797 817 837
CA

12 900 Fig. 6. Mesh independency based on the in-cylinder

pressure history at 1300 rpm.
REFERENCE
24400cell
800
10
28500cell
700
38150cell

8 48950cell 600

HRR (J/deg)
65750cell
Pressure (Mpa)

HRR-REFERENCES 500
6
HRR-24400cell
400
HRR-28500cell

4 HRR-38150cell 300
HRR-48950cell
HRR-65750cell 200
2
100

0 0
577 602 627 652 677 702 727 752 777 802 827 852 877
CA

independency of the numerical simulation method prepared in this 3.1. Pressure

study, the trend of the chamber pressure in terms of the number of mesh
is depicted in Figs. 5 and 6.
3. Results and discussion
To calculate the ringing intensity (RI) and the gross indicated effi-
ciency (GIE), Eqs. (11) and (12) are used, respectively. Dec et al. [42]
indicated that if the ringing intensity is below 5 MW/m2, the engine will
have no knocking.
2 heat release and hydroxyl (OH) consumption by the hydrogen is too
Substituting hydrogen for a fraction of diesel energy leads to com-
bustion retarding which is due to the specific heat of hydrogen causing
temperature reduction at the end of the compression stroke, as men-
tioned in reference [33]. However, in this paper, temperature does not
undergo any important change in compression stroke as hydrogen is
substituted. The reasons are a reduction of pilot fuel (diesel), chamber
dilution because of hydrogen addition, and chemical effects of hy-
drogen. Chemical effects refer to hydrogen participation in low-tem-
perature reactions, in particular (H2 + OH = H2 O+ H ). Although the

RI =
1 (0.05 ( ) )dP
dt max
γRTmax
little, however it obviously reduces the diesel fuel oxidation rate and
the total heat release. This is because hydroxyl participates in many
2 Pmax (13)
diesel fuel oxidations at low-temperature reactions. Lack of hydroxyl
radicals will slow down the low-temperature chemical kinetics process.
180
∫−180 PdV In fact, fuel dilution and hydrogen chemical effects will reduce the
GIE =
m fuel LHVfuel (14) released heat in low-temperature reactions which delays combustion
phase [43,44].

456
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

1208-sub
14 12
H0
12
H11
11
Pressure (MPa)
10 H17
10
8 H29.4
H40.2 9
6
H55.8
4 H72.2
8

2 7

0
6
577 607 637 667 697 727 757 787 817 847
710 720 730 740 750
CA

1208-Add
16 15

14 H0 14
H11 13
12
Pressure (MPa)

H17 12
10
H29.4 11
8
H41 10
6 H57 9
4 H72 8
2 7
0 6
577 607 637 667 697 727 757 787 817 847 710 720 730 740 750
CA

1300-Methane-sub
14 14
13
12 H0
H5 12
10
Pressure (Mpa)

H11 11
8 H16.75 10

6 9
8
4
7
2 6
0 5
577 607 637 667 697 727 757 787 817 847 710 720 730 740 750
CA

1300-Add-Disel
14 13

12 H0
12
H5
H11
Pressure (Mpa)

10 11
H17
8 H30 10
H41.6
6 H59.3 9

4 8

2 7

0 6
577 607 637 667 697 727 757 787 817 847 710 720 730 740 750
CA
Fig. 7. The graph of hydrogen substitution and addition impact on cylinder pressure.

457
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

1208-sub
1208-Add
0.00020
0.00025
H0
0.00018 H0
H11 H11

CH2O Mass fraction

0.00016 H17 0.00020 H16.5
CH2O Mass fraction

0.00014 H29 H28.7

0.00012 H39.5 0.00015 H39.5
H54 H55
0.00010
H70 H71.5
0.00008 0.00010

0.00006
0.00005
0.00004

0.00002
0.00000
0.00000 710 715 720 725
710 715 720 725
CA
CA

1300-sub-Methane 1300-Add-Diesel
0.0000050 0.0009 0.0000050 0.0009
H0-CH3
H0-CH3
0.0000045 H5-CH3
H5-CH3 0.0008 0.0000045 0.0008
H11-CH3
0.0000040 H11-CH3 0.0000040 H17-CH3

CH2O-Mass fraction
0.0007 0.0007

CH2O-Mass fraction
H30-CH3

CH3-Mass fraction
H17-CH3
CH3-Mass fraction

0.0000035 0.0000035 H42-CH3

H0-CH2O 0.0006 H60-CH3 0.0006
0.0000030 H5-CH2O 0.0000030 H0-CH2O
H11-CH2O
0.0005 H5-CH2O 0.0005
0.0000025 0.0000025 H11-CH2O
H17-CH2O
0.0004 H17-CH2O 0.0004
0.0000020 0.0000020 H30-CH2O
0.0003 H42-CH2O 0.0003
0.0000015 0.0000015
H60-CH2O
0.0002 0.0002
0.0000010 0.0000010

0.0000005 0.0001 0.0000005 0.0001

0.0000000 0 0.0000000 0
690 710 730 750 690 710 730 750
CA CA
Fig. 8. The graph of hydrogen substitution and addition impact on formation of CH2O & CH3.

Furthermore, diesel fuel reduction will lead to a delay in caused by methane reduction or hydrogen increase at the constant
Formaldehyde (CH2O) and hydroxyl formation in consequence. amount of pilot fuel, CH3 formation occurs earlier according to the
Formaldehyde and hydroxyl represent the beginning of HTHR and following reaction, and therefore chamber combustion is advanced.
LTHR [45].
CH 4 + O2 → CH3 + HO2 (15)
As Hydrogen increases after the ignition, pressure rise rate and
combustion duration increases and decreases respectively due to the This will lead to cylinder pressure increase and engine knocking in
characteristics of this fuel including burning velocity and LHV [35]. In some cases. CH3 is a kind of chain propagations of methane combus-
RCCI combustion, CH2O formation is a bit delayed (2CA delay in H17 in tion.
comparison to H0); however, owing to chamber reactivity increase Fig. 7 indicates chamber pressure variations in terms of crank angle.

Table 7
Definition of abbreviations used in the tables and figures of this paper.

Contraction Engine Variable Substitution Type of Input energy H2 (Hydrogen) percent of D (Diesel) M (methane)
speed /addition combustion (Ein) Ein

H0-1208 1208 H2/Diesel * DI =mD ∗LHVD 0 100 *

H11-1208-sub 1208 H2/Diesel sub DI =mD ∗LHVD 11 89 *
H72.2-1208-sub 1208 H2/Diesel sub DI = mD ∗LHVD 72.2 27.8 *
H10.8-1208-Add 1208 H2 Add DI = mD ∗LHVD 10.8 Const = 19.7 mg *
H71.5-1208-Add 1208 H2 Add DI = mD ∗LHVD 71.5 Const = 19.7 mg *
H0-1300-sub- 1300 H2/Methane * RCCI =mD ∗LHVM 0 Const = 2.225 mg 100
methane
H16.75-1300-sub- 1300 H2/Methane sub RCCI = mD ∗LHVM 16.75 Const = 2.225 mg 83.25
methane
H0-1300-Add- 1300 H2 * RCCI = mD ∗LHVM 0 Const = 2.225 mg Const = 12.6 mg
Diesel (0.02059 mass
fraction)
H59.3-1300-Add- 1300 H2 Add RCCI = mD ∗LHVM 59.3 =
59.3 ∗ (mD ∗ LHVD) Const = 2.225 mg Const = 12.6 mg
Diesel 100 (0.02059 mass
fraction)

458
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

1208-sub 1208-ADD
600 1000
H0 H0
500 H11 H11
800
H17 H17
H29.4

HRR (J/deg)
400 H29.4
HRR (J/deg)

H40.2 600 H41

300 H55.8 H57
H72
H72.2 400
200
200
100

0 0
710 720 730 740 750 710 720 730 740 750

CA CA

1300-sub-Methane 1300-Add
1200 800
H0 H0
H5 H5
1000 H11
H11 600 H17
800 H16.75 H30

HRR (J/deg)
HRR (J/deg)

H42
H59.3
600 400

400
200
200

0 0
710 720 730 740 710 720 730 740
CA CA
Fig. 9. The graph of hydrogen substitution and addition impact on cylinder HRR at 1208 & 1300 RPM.

RI Fig. 10. The graph of hydrogen substitution and addi-

tion impact on the change in sound intensity at 1208 &
12
1300 RPM.
1208-Sub 1300-Add-Diesel
10
1208-Add 1300-sub-methane

8
MW/m2

0
0 10 20 30 40 50 60 70 80

H2 share

The CH2O forming process in CDC combustion, as well as the CH3 and combustion process resembles the constant volume process. In this case,
CH2O formation in RCCI combustion, are illustrated in Fig. 8. the heat release and reaction speed increase with the increase of the
It is worth mentioning that Table 7 represents what abbreviations of hydrogen amount due to its burning velocity and LHV in the chamber
this paper refer to, using some examples in different states in order to [21,35]. In RCCI combustion (1300-sub, 1300-Add), because of hy-
fully comprehend tables and figures. drogen presence, combustion occurs faster in the chamber and early
ignition the heat release rate increases.
3.2. Heat release Fig. 9 indicates combustion retarding which is caused by the
aforementioned reasons in the pressure section.
Because of hydrogen presence and high speed of its flame, the

459
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

CO2 Fig. 11. The graph of hydrogen substitution and addi-

tion impact on carbon dioxide pollutant at 1208 & 1300
600 500 RPM.

500
400
400
g/kw-h

300 300

200
200
1208-Sub 1208-Add
100
1300-sub-methane 1300-Add-Diesel

0 100
0 10 20 30 40 50 60 70 80
H2 share

CO2 Fig. 12. The graph of hydrogen substitution and addi-

tion impact on percentage reduction of carbon dioxide
80 18 at 1208 & 1300 RPM.
1208-Sub 1208-Add
70
1300-sub-methane 1300-Add-Diesel 15
60
12
Change (%)

50

40 9

30
6
20
3
10

0 0
0 10 20 30 40 50 60 70 80
H2 share

3.3. Ringing intensity
Hydrogen substitution with the high speed of its flame leads to in-
creasing pressure rate and heat release. This phenomenon causes the
increase of engine noise and consequently the possibility of knocking
[46,47]. In conventional diesel engines, hydrogen addition (1208-Add)
in large amounts is not possible and knocking or back fire will occur
because of hot spots within the engine. For instance, Madhujit [22] in
his article stated that the maximum allowed amount of hydrogen ad-
dition as a fraction of input energy is 42%. Therefore, it is worth
mentioning that for hydrogen substitution to 50% or 70% of input
energy in an experimental study, an exact design of the engine is re-
quired.
If the pilot fuel is injected earlier, knocking may occur in large
amounts of hydrogen substitution. In this article, however, injection
timing and duration is not changed in any states. According to the si-
mulation results of in this study, hydrogen substitution (1208-sub) will
not theoretically lead to knocking phenomenon, but knocking occurs as
hydrogen is added (1208-Add) to more than 60% of input energy. In
RCCI combustion, if more than 11% of hydrogen substitutes for
methane input energy (1300-sub-Methane) or more than 50% of hy-
drogen is added based on diesel energy (1300-Add-diesel), knocking
will occur. The ringing intensity variations in terms of hydrogen addi-
tion and substitution in both RCCI and CDC combustions are indicated
in Fig. 10. The red marks in the graphs indicate knocking phenomenon.
3.4. Carbon dioxide greenhouse gas
A significant reduction of carbon dioxide greenhouse gas is one of
the worthwhile achievements of using hydrogen instead of fuels in in-
ternal combustion engines. In hydrogen substitution case (1208-sub),
this reduction is because of increasing the ratio of hydrogen to carbon
and decreasing diesel fuel amount. On the other hand, when hydrogen
is added (1208-Add), CO2 is slightly reduced because of the increasing
of engine power. It is worth mentioning that if hydrogen is obtained
from clean upstream sources, it can be totally said that hydrogen ad-
dition leads to the decrease of carbon dioxide produced from combus-
tion [48]. In RCCI combustion, this reduction is much less, because the
fossil fuel is little and fuel accompanies air in their mixture for a longer
time in the chamber compared to CDC combustion. The reduction

460
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

CO Fig. 13. The graph of hydrogen substitution and ad-

18 1.0 dition impact on carbon monoxide pollutant at 1208 &
1300 RPM.

15
0.8

12
0.6
g/kw-h

1208-Sub
9 1208-Add
1300-sub-methane
0.4
1300-Add-Diesel
6

0.2
3

0 0.0
0 10 20 30 40 50 60 70 80
H2 share

soot Fig. 14. The graph hydrogen substitution and addi-

tion impact on soot pollutant at 1208 & 1300 RPM.
0.20 0.0025
1208-Sub
1208-Add
0.16 1300-sub-methane 0.0020
1300-Add-Diesel

0.12 0.0015
g/kw-h

0.08 0.0010

0.04 0.0005

0.00 0.0000
0 20 40 60 80
H2 share

amount and percentage of this greenhouse gas, which happens when
the hydrogen is substituted as a fraction of the energy and surplus input
energy, can be seen in Figs. 11 and 12.
It is necessary to mention that the vertical axis numbers on the right
of graphs are for RCCI combustion. The scale of these two graphs is
considered separately since there is a great difference between amounts
of RCCI and CDC.
3.5. Carbon monoxide emission
In CDC combustion, substituting hydrogen instead of diesel (1208-
sub) up to 40.2% leads to carbon monoxide emission decreases. The
high speed of hydrogen flame and the increase of reaction rate and
chamber temperature contributes to the oxidation of CO to CO2 and
consequently the reduction of this emission [49]. Beyond this amount,
CO emission increases because of reduction in volumetric efficiency and
lack of oxygen. If hydrogen is added (1208-Add) and diesel fuel remains
constant, this emission increases because of more fuel (compared to
substitution state), volumetric efficiency reduction and less fuel injec-
tion penetration. This issue will be further discussed in forthcoming
contour section.
In RCCI combustion, in the presence of sufficient amount of air, the
advance of ignition time and higher combustion temperature, the CO
oxidation is promoted and therefore this emission slightly decreases
[32]. This reduction, nevertheless, is not significant. It should be noted
that the reference article has not measured this emission in CDC com-
bustion at 1208 RPM, hence the accuracy of simulated amounts is not
comparable; however, what matters is that the changing trend of this
emission, is consistent with the amount of hydrogen added or sub-
stituted. Changes of this emission in terms of added or substituted

461
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

UHC Fig. 15. The graph of hydrogen substitution and

0.8 addition impact on unburned hydrocarbons pollu-
0.3
tant at 1208 & 1300 RPM.

0.2
0.6

0.2
g/kw-h

0.4

0.1
1208-Sub
0.2
1208-Add
0.1
1300-sub-methane
1300-Add-Diesel
0.0 0.0
0 10 20 30 40 50 60 70 80
H2 share

NOx Fig. 16. The graph of hydrogen substitution and ad-

dition impact on nitric oxide pollutant at 1208 & 1300
12 2.5 RPM.

10
2.0

8
1.5
g/kw-h

1.0
4
1208-Sub
1208-Add 0.5
2
1300-sub-methane
1300-Add-Diesel
0 0.0
0 10 20 30 40 50 60 70 80
CA

hydrogen in two combustions RCCI and CDC are presented in Fig. 13. It
is necessary to state that the vertical axis numbers on the right of graphs
are for RCCI combustion.
3.6. Soot emission
Soot emission is produced by the difference between soot formation
and soot oxidation. Soot formation refers to pyrolysis of hydrocarbon
fuel which means broken hydrocarbon chain in the absence of oxygen,
and soot oxidation means soot burning with oxygen at high tempera-
tures [20]. The heterogeneous mixture and combustion propagation
lead to more soot formation. On the other hand, as load increases, the
amount of soot is increased, too. With hydrogen increase in air, the
premixed combustion increases, and most of the sprayed pilot fuel
burns in a homogeneous environment and combustion propagation
phase will decrease.
In hydrogen substitution state (1208-su, 1300-sub), despite the fact
that hydrogen lacks carbon, hydrogen substitution for diesel and me-
thane will reduce the amount of carbon in the chamber, and therefore
has a significant effect on soot emission reduction [50].
In hydrogen addition state (1208-Add), because of the high tem-
perature of the chamber and volumetric efficiency reduction (reduction
of oxygen in the chamber), the fuel pyrolysis and consequently this
emission increases. In the RCCI combustion, since the amount of air to
fuel is more in comparison to CDC combustion the reduction of volu-
metric efficiency is not the matter, thereby what leads to the reduction
of soot emission is the sufficient presence of hydrogen besides diesel
and methane. That is because combustion occurs in a more homo-
geneous phase with a higher temperature. Considering combustion
characteristics of hydrogen, it can improve the combustion as a me-
thane fuel additive.
Fig. 14 depicts the trend of soot pollutant in both combustions of
RCCI and CDC. In this graph, vertical axis numbers on the right side of
these graphs are for RCCI combustion, too.
3.7. Unburned hydrocarbons emissions
Unburned hydrocarbons (UHC) emission is caused by the

462
R. Ahmadi, S.M. Hosseini
H0 H11 H17 H29.4 H40.2
incomplete combustion, low chamber temperature, gap of cylinder and
piston and even the existence of a thin layer of lubricating oil in the
combustion process [51]. Hydrogen presence in the combustion
chamber, because of its gaseous state, leads to the reduction of wetting
walls and unburned hydrocarbons [10]. The reasons mentioned for
reduction of the carbon monoxide emission are also applied for this
emission. In hydrogen substitution state (1208-sub), reduction of pilot
fuel causes a combustion near the injector nozzle (see Fig. 17 and 1208-
O2-sub). Insufficient proper mixing of fuel and air and the absence of
adequate oxygen leads to incomplete combustion and consequently
emissions increase in states of 55% and 71.5% substitution. Detail
analysis will be further discussed using oxygen contours in the forth-
coming contours analysis section. It should be noted that the gap be-
tween cylinder and piston has a significant impact on the UHC emis-
sion. In addition, since the amount of this emission is not stated by the
references used (in 1208 rpm CDC), there is no reference for comparing
the accuracy of these results. However, what matters is the changing
trend of this emission in different amounts of diesel and hydrogen
which is consistent with the above explanations. In hydrogen addition
state (1208-Add), this emission increases because of volumetric effi-
ciency reduction and an incomplete combustion (Lack of oxygen for
complete ignition see Fig. 18, 1208-O2-Add).
In the RCCI combustion and hydrogen substitution for methane
state (1300-sub-Methane), this emission is more likely to decrease since
methane fuel comprises 85% of total hydrocarbon fuel, and hydrogen
substitution causes (1300-sub-Methane) to increase of H/C proportion.
463
Applied Energy 213 (2018) 450–468
Fig. 17. Contours of oxygen, temperature,
H55.8 H72.2
carbon monoxide, soot and hydrogen
1208-O2-SUB
changes in various states of hydrogen sub-
stitution at 20 ATDC (1208 rpm).
1208-T-SUB
1208-CO-SUB
1208-Soot-SUB
1208-H2-SUB
As hydrogen is more and methane is less present, the complete com-
bustion of premixed fuels is more guaranteed and consequently, this
emission is reduced more. When hydrogen is added to RCCI combustion
(1300-Add-Diesel), the amount of this pollutant is reduced since me-
thane combustion is improved and chamber temperature rises which
helps to the oxidation of this emission. Also, the presence of hydrogen
leads to unburned methane reduction in the chamber which is due to
less quenching gap of hydrogen in comparison to methane and diesel.
. Further detail and discussion will be presented by methane contour
in 20 ATDC and EVO in the contours analysis section. Fig. 15 indicates
the effect of hydrogen addition/substitution on unburned hydrocarbons
emissions for both CDC and RCCI combustions.
3.8. Nitrogen oxides emissions
The formation of nitrogen oxides depends on the local temperature
of combustion, oxygen concentration and the nitrogen residence time in
high chamber temperature [51].The maximum amount of nitrogen
oxidations is determined by maximum chamber temperature which
depends on factors such as fuel combination, equivalence ratio and the
initial temperature of air and fuel [52]. Nitrogen oxides generally
consist of (90–95)% NO, and (5)–(10)% NO2. Generally, NO emission is
controlled by combustion chamber temperature and oxygen content.
One of the significant factors in the further reduction of NOx in the
CDC combustion as hydrogen is substituted for diesel (1208-sub), is a
dilution of equivalence ratio [50]. As diesel fuel is decreased and
R. Ahmadi, S.M. Hosseini
H0 H10.8 H16.5 H28.7 H39.5
hydrogen is substituted for it (1208-sub), the mixture of two fuels with
air gets more homogeneous and fuel-rich zones get less which leads to a
steady increase of chamber temperature and less production of NOx. In
this state (1208-sub), when ignition occurs later, chamber temperature
reduces and NOx production freezes, and therefore this pollutant will
naturally decrease [32]. It is important to note that in hydrogen addi-
tion state (1208-Add), chamber temperature increases leading to the
increase of this emission, but the amount of this emission will reduce in
terms of (g/kWh) due to engine work increase. In the RCCI combustion
one of whose major advantages is a small amount of NOx, as hydrogen
is added or substituted (1300-Add, 1300-sub), temperature and pres-
sure will increase due to its high speed of burning, earlier ignition and
sufficient presence of oxygen pave the way for more NOx production.
Fig. 16 indicates the trend of NOx emission in RCCI and CDC, based on
various amounts of hydrogen added or substituted.
3.9. Contours analysis
Fig. 17 indicates the variations of oxygen mass fraction, tempera-
ture, carbon monoxide, soot and hydrogen in diffident content of hy-
drogen addition/substitution state (1208-Add/sub) at 20ATDC. It is
seen that the high content of hydrogen substitution (> 40.2%) for
diesel in CDC combustion at 1208 rpm (1208-sub-Diesel) reduces the
penetration of this fuel, and it moves combustion toward injector
nozzle. As it can be seen, as hydrogen content increased the consumed
oxygen moves from piston bowl area to injector nozzle and hydrogen is
not totally used in these areas. In the case of hydrogen substitutions
464
Applied Energy 213 (2018) 450–468
Fig. 18. Contours of oxygen, temperature,
H55 H71.5
carbon monoxide, soot and hydrogen
1208-O2-ADD
changes in various states of hydrogen addi-
tion at 20 ATDC (1208 rpm).
1208-T-ADD
1208-CO-ADD
1208-Soot-ADD
1208-H2-ADD
(1208-sub-Diesel), the states of H29.4 and H40.2 (H29.4, H40.2-sub-
Diesel) are considered as the best states owing to more complete
combustion than other states. In these states, CO and soot emissions are
at the least content. The high temperature at H55.8 and H72.2 in EVO
also implies late ignition, lack of time and more dilution of equivalence
ratio for the formation of NOx emission in the combustion chamber.
In hydrogen addition state of CDC combustion at 1208 rpm (1208-
Add-Diesel), chamber experiences more temperature and lack of oxygen
(Fig. 18) due to volumetric efficiency reduction and more fuel in
comparison to neat diesel state. In this conditions the emissions of soot,
CO and UHC increase. Because of a constant amount of diesel, com-
bustion occurs near piston bowl; however, lack of oxygen and a large
amount of fuel in hydrogen addition states results in not the con-
sumption of some hydrogen in these areas. In hydrogen addition state at
1208 rpm (1208-Add-Diesel), all emissions (except NOx which de-
creases in terms of g/kWh) are increasing at any state. However, engine
power increases in all states, for instance, it increases to 43% at H55.
According to Fig. 19, when hydrogen is substituted for methane at
1300 rpm (1300-sub-Methane) in RCCI combustion, lack of oxygen does
not matter due to the little amount of fuel in comparison to conven-
tional diesel and less proportion of fuel to air, so hydrogen substitution
for methane reduces unburned methane in the combustion process. As
it can be seen in Figs. 19 and 20, hydrogen presence leads to burning of
unburned methane near piston bowl walls. In other words, hydrogen
presence improves methane combustion, so emissions such as CO, soot,
and UHC will decrease. However, chamber reactivity is increased be-
cause of hydrogen substitution for methane which leads to ignition
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

Fig. 19. Contours of oxygen, temperature,

H0 H5 H11 H16.75
carbon monoxide, soot, hydrogen and me-

1300-O2-SUB
thane changes in various states of hydrogen
substitution at 20 ATDC (1300 rpm).

1300-T-SUB
1300-CO-SUB
1300-Soot-SUB
1300-H2-SUB
1300-CH4-SUB

advance, increasing the rate of pressure rise, high chamber temperature
and knocking possibility.
In hydrogen substitution for methane (1300-sub-Methane), more
than 11% of methane input energy (H11-SUB-Methane) cannot be
substituted with hydrogen; however, this ignition advance can be
compensated by changing the timing of pilot fuel spray. High chamber
temperature leads to NOx increase.
As hydrogen is added to methane-diesel RCCI combustion (1300-
Add-Diesel), because of complementary combustion characteristics of
hydrogen - methane and the sufficient presence of oxygen in chamber
(Fig. 20), methane in the chamber burns (reduction of unburned me-
thane in chamber with respect to methane contours) and consequently
this will decrease emissions such as CO, soot and UHC. However, NOx
emission is still prone to increase due to high chamber temperature.
Table 8 presents the amounts of emissions and engine performance in
two combustion strategies of RCCI and CDC. Different states of hy-
drogen substitution and addition can be also seen in Table 8. It presents
the amounts of emissions and engine performance in two combustion
strategies of RCCI and CDC. Different states of hydrogen substitution
and addition can be also seen in this table.
4. Summary and conclusion
This paper simulated and studied different amounts of hydrogen
addition/substitution impact on Caterpillar 3401 heavy-duty diesel
engine in two combustions of RCCI and CDC, and finally following
results are obtained:
In the CDC combustion:
– Generally, hydrogen substitution retards the combustion timing, and
increasing of hydrogen content causes more delay in the ignition
which has a significant impact on chamber temperature and emis-
sions.
– The most efficient state of hydrogen substitution is H40.2 (H40.2-
sub-Diesel) in which CO, soot, UHC, NOx and CO2 greenhouse gas
are reduced to 98%, 27%, 99%, 13% and 38% respectively; how-
ever, indicated work just reduces of 1%.
– Hydrogen substitution increases heat release and the rate of pressure
rise, but the ringing intensity still remains below the critical number
of 5 MW/m2 and knocking phenomenon does not occur in case of
the exact design of the engine.
– Generally, hydrogen addition has a little effect on ignition retarda-
tion, and increasing hydrogen content leads to high chamber

465
R. Ahmadi, S.M. Hosseini
H0 H5 H11 H17 H29.8
temperature which has an impact on engine emissions.
– Hydrogen addition in any amount, leads to the increase of emis-
sions. At H55 (H55-Add-Diesel), engine power increases to 43%, but
knocking does not occur in this state.
In the RCCI combustion:
– Hydrogen substitution for methane leads to increase the reactivity of
chamber which advances ignition and makes knocking phenomenon
so probable that substitution of hydrogen over than 11% of methane
input energy coincides with knocking phenomenon in the engine.
– Hydrogen substitution at H5 (H5-sub-Methane) reduces emissions
such as CO, soot, UHC and CO2 greenhouse gas to 23%, 10%, 9.7%,
4.5% respectively, but increases NOx emission to 36.4%.
– Hydrogen addition to diesel-methane combustion at H29.8 (H29.8-
Add-Diesel) reduces CO, soot, UHC and CO2 greenhouse gas to 22%,
30%, 12.5% and 3.5%, respectively; however, NOx emission and
indicated work increase to 160% and 3.8%, respectively.
466
Applied Energy 213 (2018) 450–468
Fig. 20. Contours of oxygen, temperature,
H41.6 H59.3
carbon monoxide, soot, hydrogen and me-
1300-O2-ADD
thane changes in various states of hydrogen
addition at 20 ATDC (1300 rpm).
1300-T-ADD
1300-CO-ADD
1300-Soot-ADD
1300-H2-ADD
1300-CH4-ADD
Comparison of the RCCI and CDC:
– RCCI has more efficiency and less pollution than CDC combustion;
however, RCCI shows less controllability and its sensitivity to hy-
drogen presence is so much more than CDC combustion.
– In Table 9, pollution and performance of four kinds of combustion
(gasoline-diesel, methane-diesel, methane-diesel-hydrogen and
diesel-hydrogen) are compared. The amounts of gasoline-diesel
combustion products are come from reference [21]. Since load and
engine RPM in two combustions of RCCI and CDC are close to each
other, this comparison can be made. States put in this table are the
representative of best ones in terms of emission prorogation of the
heavy-diesel engine at EVO. According to this table, the efficiency of
gasoline-diesel RCCI combustion is more than gas-diesel and hy-
drogen-diesel CDC combustion. The efficiency of diesel-hydrogen
combustion is less than two aforementioned combustions. Adding
hydrogen to gas-diesel RCCI combustion increases engine efficiency
very little and decreases CO, soot, UHC and CO2 greenhouse gas, but
nevertheless, increases NOx.
R. Ahmadi, S.M. Hosseini Applied Energy 213 (2018) 450–468

Table 8
Engine performance and emissions in different states of substitution and addition of hydrogen at 1208 and 1300 rpm.

Hydrogen Indicated Work (J ) Temperature (K ) RI ( Mw bar Maximum NOx g g g g

energy (%) efficiency (%) m 2
) PRR (
deg
)
pressure(bar) g
UHC ( kWh ) Soot ( kWh ) CO ( kWh ) CO2 ( kWh )
( kWh )
1208-sub
0 43 2366 1609 0.82 4.63 100.8 10.8 0.0259 0.075 3.18 548
11 42.2 2323 1614 1.23 5.63 100.1 11.18 0.0148 0.081 2.86 497
17 41.4 2290 1618 1.29 5.75 99.5 10.7 0.0142 0.081 2.93 471
29.4 41.4 2295 1648 1.48 6.15 100.6 9.67 0.00084 0.070 0.58 404
40.2 41.3 2345 1680 1.70 6.68 104.7 9.40 0.00011 0.054 0.04 337
55.8 41.8 2322 1717 1.77 6.99 111.3 7.12 0.0858 0.065 4.2 246
72.2 42.3 2346 1798 1.74 7.03 116.8 4.58 0.2336 0.061 3.7 153

1208-Add
0 43 2366 1609 0.82 4.63 100.8 10.8 0.0259 0.075 3.18 548
10.8 42.1 2481 1674 1.41 6.08 104.3 10.99 0.0243 0.077 4.17 504
16.5 41.7 2584 1707 1.55 6.40 106.2 10.61 0.0268 0.076 4.58 484
28.7 41.2 2826 1800 1.80 7.01 112.7 10.15 0.0595 0.095 7.69 438
39.5 71.3 3078 1893 2.44 8.29 119.4 9.64 0.0662 0.093 8.47 400
55 41.2 3387 2027 3.41 10 129.3 9.06 0.1314 0.1178 12.8 356
71.5 40.4 3671 2147 6.80 14.6 141.8 8.51 0.1518 0.1546 16.2 322

1300-sub-Methane
0 48.7 2137 1879 1.3 5.1 101 0.28 0.72 0.0023 0.9 400
5 48.96 2139 1942 2.87 7.9 112.6 0.47 0.65 0.00187 0.7 382
11 48.83 2125 1991 4.18 10 121.6 0.75 0.62 0.00196 0.78 363
16.75 51.5 2216 2093 10.1 16.1 132.9 2 0.42 0.00185 0.62 352

1300-Add-Diesel
0 48.7 2137 1879 1.3 5.1 101 0.28 0.72 0.0023 0.9 400
5 48.79 2151 1895 1.66 5.91 103.3 0.32 0.71 0.0022 0.87 398
11 48.65 2167 1910 1.87 6.31 104.8 0.37 0.67 0.0020 0.88 394
17 48.85 2184 1936 2.24 7.01 108.5 0.47 0.65 0.0016 0.81 391
29.8 48.88 2219 1981 3.08 8.38 114.4 0.73 0.63 0.00139 0.71 386
41.6 48.83 2247 2007 3.80 9.38 117.2 0.94 0.59 0.00136 0.81 381
59.3 48.72 2288 2060 5.16 11.15 123.5 1.52 0.49 0.001 0.66 372

Table 9
Comparison of performance and emission of heavy duty diesel engine in the presence of different fuels and combustion strategy.

RCCI CDC

D-G D-NG D-NG-H2 D D-H2

Reference Reference Simulate Sub-NG Change Add-D Change Reference Simulate Add-H10.8 Change Sub-H40.2 Change
H5 (%) H29.8 (%) (%) (%)

NOx 0.011 0.25 0.28 0.382 +36.4 0.73 +160 10 10.9 10.99 +0.8 9.4 −13.7
(g/kw-h)
Soot 0.012 0.002 0.002 0.0018 −10 0.0014 −30 0.076 0.074 0.077 +3.89 0.054 −27
(g/kw-h)
CO * 0.2 0.91 0.7 −23 0.71 −22 * 3.04 4.17 +37 0.04 −98.6
(g/kw-h)
UHC * 0.5 0.72 0.65 −9.7 0.63 −12.5 * 0.023 0.0243 +5.6 0.00011 −99.5
(g/kw-h)
CO2 * * 400 382 −4.5 386 −3.5 * 546 504 −7.7 337 −38.2
(g/kw-h)
Ri 3.3 1.5 1.3 2.87 +112 3.08 +137 0.9 0.71 1.41 +98.6 1.7 +139
(MW/m2)
ηgross 56 50.4 48.7 48.96 +0.4 48.88 +0.37 48.2 43 42.1 −2 41.3 −3.9
(%)
PRR 9.7 5.1 5.1 7.9 +52 8.38 +61 4.9 4.29 6.08 +41.7 6.68 +35.7
(Bar)
Work * * 2137 2139 0 2219 +3.8 * 2366 2481 +4.8 2345 −0.9
(J)

Acknowledgments reactivity-controlled compression ignition engines. SAGE 2015;17(5):481–524.

The efforts of Dempsey, Khatam nezhad, Ghofrani, and Mohebbi
who helped us in this project are highly appreciated.
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