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1 s2.0 S0016236124003284 Main
1 s2.0 S0016236124003284 Main
1 s2.0 S0016236124003284 Main
Fuel
journal homepage: www.elsevier.com/locate/fuel
A R T I C L E I N F O A B S T R A C T
Keywords: Ammonia has gained considerable attention as a valuable, carbon-free alternative fuel for internal combustion
RCCI combustion engine (ICE) applications. The growing interest in ammonia’s potential as an energy source stems primarily from
Ammonia its advantageous storage and transport properties. The reactivity-controlled compression ignition (RCCI) com
Dual Fuel
bustion mode presents a promising avenue for overcoming the challenges intrinsic to conventional diesel en
Blend Ratio
Injection Timing
gines, such as elevated nitrogen oxides (NOx) and particulate matter (PM) emissions. Additionally, it addresses
the limitations of both homogeneous charge compression ignition (HCCI) combustion (limited operational range)
and premixed charge compression ignition (PCCI) combustion (diminished power output). The application of an
ammonia-based RCCI combustion strategy emerges as a viable pathway for harnessing ammonia as a fuel. In this
study, a numerical simulation on a single-cylinder heavy-duty engine operated in RCCI mode is conducted uti
lizing ammonia and diesel as fuels. The engine is operated at medium load and 910 RPM. The simulation results
are validated against experimental data sourced from existing literature. The study investigates the impact of
varying ammonia energy fractions, injection timing, and intake valve close temperature (TIVC) on key operational
characteristics of the engine including in-cylinder pressure, heat release rate (HRR), combustion efficiency (CE),
indicated mean effective pressure (IMEP), and emission levels. The results indicated that increasing the ammonia
energy fraction within the RCCI combustion mode, transitioning from 30 % to 70 %, leads to a notable
enhancement in IMEP, while maintaining low levels of carbon monoxide (CO), hydrocarbons (HC), unburned
ammonia, and nitrous oxide (N2O) as greenhouse gases (GHG). Furthermore, increasing ammonia’s energy
fraction yielded a discernible reduction in NOx emissions and carbon dioxide (CO2). Conversely, the RCCI
combustion mode attained superiority over the dual fuel combustion mode by simultaneously elevating CE and
diminishing emissions of GHG, (CO2 and N2O) as well as unburned NH3.
1. Introduction source across various engineering domains [1]. However, the ever-
increasing progress of science and technology has intensified the chal
ICEs are distinguished by their high thermal efficiency, acceptable lenges posed by energy consumption and environmental pollution. It is
fuel economy, and wide power range, making them a prevalent power estimated that the global consumption of fossil energy amounts to nearly
Abbreviations: AMR, Adaptive Mesh Refinement; aTDC, after Top Dead Center; BMEP, Brake Mean Effective Pressure; bTDC, before Top Dead Center; CA90/50/
10, Crank Angle of 90/50/10% Heat Release; CD, Combustion Duration; CDC, Conventional Diesel Combustion; CFD, Computational Fluid Dynamics; CO, Carbon
Monoxide; CO2, Carbon Dioxide; DOC, Diesel Oxidation Catalyst; EVC, Exhaust Valve Closing; EVO, Exhaust Valve Opening; GHG, Greenhouse Gases; HC, Hy
drocarbons; HCCI, Homogenous Charge Compression Ignition; HRF, High Reactivity Fuel; HRR, Heat Release Rate; ICE, Internal Combustion Engine; IMEP, Indicated
Mean Effective Pressure; ITE, Indicated Thermal Efficiency; IVC, Inlet Valve Closing; IVO, Inlet Valve Opening; KHRT, Kelvin-Helmholtz Rayleigh-Taylor; LRF, Low
Reactivity Fuel; LTC, Low-Temperature Combustion; N2O, Nitrous Oxide; NH3, Ammonia; NO, Nitric Oxide; NOx, Nitrogen Oxides; PCCI, Premixed Charge
Compression Ignition; PISO, Pressure implicit with splitting of operator; PM, Particulate Matter; RANS, Reynolds Averaged Navier-Stokes; RCCI, Reactivity
Controlled Compression Ignition; RNG, Re-normalization group; SCR, Selective Catalytic Reduction; SOC, Start of Combustion; SOI, Start of Injection; TIVC, Intake
Valve Close Temperature.
* Corresponding author.
E-mail address: ayat_gharehghani@iust.ac.ir (A. Gharehghani).
https://doi.org/10.1016/j.fuel.2024.131182
Received 2 December 2023; Received in revised form 31 January 2024; Accepted 7 February 2024
Available online 12 February 2024
0016-2361/© 2024 Elsevier Ltd. All rights reserved.
A. Hossein Fakhari et al. Fuel 365 (2024) 131182
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
Table 1
Engine characteristics [27].
Parameter Specifications
Table 2
Specifications fuels [40–43].
Property Diesel NH3
Table 3
Initial and boundary conditions for validation.
Condition Setting
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
Fig. 6. Influence of NH3 energy fractions variation on CA10, CA50, and CA90
in RCCI combustion mode. Fig. 8. Influence of NH3 energy fractions variation on IMEP in RCCI combus
tion mode.
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
Fig. 11. Concentration of NH3 and temperature for different NH3 energy fractions at − 10◦ .
solver was used in transient mode, meaning that in each time step and refinement is used to generate a base grid size of 0.002 m.
cell, this solver computed the mass fractions for different species just
prior to solving the transport equation, for which the pressure implicit 2.2. Computational modelling details
with splitting of operator (PISO) technique was employed. The proper
ties of diesel fuel are accurately indicated by the “DIESEL2″ fuel surro Converge utilizes the Adaptive Mesh Refinement (AMR) algorithm to
gate, obtained from the CONVERGE library. The properties were used automate the mesh generation process. The AMR algorithm, which
for modeling spray and mixing processes [35]. Liquid injection is facil employs a tree-based data structure, generates a mesh by refining and
itated by the utilization of the Blob injection sub-model, where the coarsening grid cells according to specific criteria, including gradients in
diameter of the injected liquid parcel is defined to be equal to the size of solution variables, geometric properties of the model, and physical
the nozzle’s hole. This sub-model allows for an accurate representation phenomena such as shock waves or boundary layers. Fig. 2 presents the
of the liquid injection process within the simulation [37,38]. The geometry of the investigated diesel engine in the top dead center.
simulation of the diesel spray takes into account the elevated injection Considering the axial symmetry of the in-cylinder geometry and to
pressure of the diesel by employing the Kelvin-Helmholtz Rayleigh- expedite computational processes, simulations are conducted on a 1/6
Taylor (KH-RT) mode [38]. In order to model heat transfer between the segment of the cylinder, featuring one single injector hole. The peak cell
cylinder wall and the working fluid, the simulation employs the Stan count reaches 2 million cells, when both spray embedding and AMR are
dard Wall Function model. Turbulence in the combustion chamber flow active during the diesel spray simulation.
field is modeled using the Reynolds Averaged Navier-Stokes (RANS)
based re-normalization group (RNG) k-ε model [39]. To accurately
resolve the details in the turbulent flame front, adaptive mesh
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
Fig. 14. Comprehensive comparison of IMEP, CE, NOx emission level, CO2 and N2O GHG emission in different NH3 energy fractions.
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
10 1200 10 1200
20° bTDC Diesel = 25% 20° bTDC Diesel = 25%
40° bTDC 40° bTDC
NH3 = 75% NH3 = 75%
50° bTDC 50° bTDC
1000 1000
8 60° bTDC T = 420 K 8 60° bTDC T = 460 K
80° bTDC 80° bTDC
800 800
Pressure (Mpa)
Pressure (Mpa)
HRR ( J/deg)
6
HRR (J/deg)
6
600 600
4 4
400 400
2 2 200
200
0 0 0
0
320 340 360 380 400 320 340 360 380 400
Crank angle (deg) Crank angle (deg)
(a) (c)
10 1200 10 1200
20° bTDC Diesel = 25% 20° bTDC Diesel = 25%
40° bTDC 40° bTDC NH3 = 75%
NH3 = 75% 50° bTDC
50° bTDC 1000
1000 8 60° bTDC T = 480 K
8 60° bTDC T = 440 K
80° bTDC 80° bTDC
800 800
6
Pressure (Mpa)
Pressure (Mpa)
HRR ( J/deg)
HRR ( J/deg)
600 600
4
4
400 400
2
2 200 200
0
0 0
0
320 340 360 380 400 320 340 360 380 400
(b) (d)
Fig. 15. Effect of diesel SOI timing on HRR and in-cylinder pressure at various TIVC (420 to 80 K).
findings by demonstrating that an increase in the NH3 energy fraction between NO and NH2 [9,46]. In the NH3/diesel RCCI combustion mode,
resulted in a retarded combustion phasing, thereby confirming the rise the reaction of fuel NOx and thermal NOx production are dominant up to
in IMEP. However, it is important to note that incomplete combustion at the temperature of 1800 K, thus the formation of NO increases. There
NH3 energy fraction of 80 % contributed to IMEP fall (refer to Fig. 7). fore, when the in-cylinder temperature decreases throughout the
The influence of NH3 energy fraction on the CO and NOx emission expansion stage, the thermal DeNOx process becomes dominant, and the
levels at TIVC = 420 K in RCCI combustion mode is demonstrated in NO is removed. Consequently, NH3/diesel combustion is influenced by
Fig. 9. It is realized that as the NH3 energy fraction is raised to 70 %, the three processes of fuel NOx, thermal NOx, and thermal DeNOx.
there is a slight rise in the CO amount, and for the NH3 energy fraction of Fig. 10, which examines the combustion temperature, and NO emission
80 %, the CO emission level reaches its maximum (1.02 g/kW.h). It is level curves, illustrates a decline in NOx levels as the NH3 energy fraction
known that the oxidation of CO decreases with incomplete combustion, increases. The significant NOx reduction, in the NH3 energy fraction of
leading to an increase in the CO emission level [40]. The reported CE in 80 %, can be attributed to the decreased in combustion temperature
Fig. 7 clearly reflects this trend. Additionally, when combustion tem resulting from incomplete combustion.
perature rises, due to the delayed CA50, the CO amount will be Fig. 12 shows the influence of NH3 energy fraction changes on the HC
increased. and unburned NH3 emissions in the RCCI combustion mode. The in
The primary components of NOx emissions from the engine are NO crease in the NH3 energy fraction from 30 % to 70 % does not lead to any
and NO2. Considering that NH3 contains nitrogen atoms, its combustion notable alteration in HC emissions. Nevertheless, when the NH3 energy
produces fuel NOx. Within the OH radical pool, NH2 is generated when a fraction is raised beyond that point, there is a marked escalation in HC
hydrogen atom is removed from NH3. After the removal of another emissions. This phenomenon can be attributed to an incomplete com
hydrogen atom, NH is generated from NH2. These NH2 and NH radicals bustion process. Additionally, HC formation mainly occurs in the low-
then get into a reaction with oxygen to form NO. Thermal NOx is temperature region near the cylinder wall [47]. Consequently,
generated when atmospheric nitrogen reacts with O and OH radicals at reducing the temperature within the cylinder at the NH3 energy fraction
temperatures above 1700 K. The thermal DeNOx process also plays a role of 80 % (refer to Fig. 10) reduces HC oxidation, leading to HC emissions
in NOx emission level during NH3 combustion, in the temperature range rise. It can also be observed that when the NH3 energy fraction rises, NH3
of 800–1200 K. When the temperature is no more than 800 K, the re consumption becomes slower because of the low flame propagation
actions are insignificant, whereas above 1200 K, instead of forming N2, speed of NH3. Therefore, the amount of unburned NH3 increases.
NH3 is oxidized to form NO. The reactions that can be considered Instead, as shown in Fig. 11, when the NH3 energy fraction increases, the
important in the thermal DeNOx process include the interactions combustion is delayed thus according to the diesel combustion area, the
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
Fig. 16. Concentration of OH in relation to SOI variations (20 to 80◦ bTDC) at TIVC = 460 K.
NH3 is formed in the low-temperature regions of the cylinder. by a slight rise up to 70 %. By examining the in-cylinder temperature
Fig. 13 illustrates the effect of substituting NH3 fuel with diesel on curves, it is revealed that the maximum peak temperature is reached in
the GHG emission levels of N2O and CO2 in the RCCI combustion mode. NH3 energy fraction of 50 %. Consequently, the thermal decomposition
The results reveal that the highest CO2 GHG emissions-level occur when reaction of the N2O intensifies, resulting in a slight decrease in N2O GHG
the NH3 energy fraction is 30 % (461 g/kW.h) wherein the quantity of emission level. This trend is well-supported by data from Fig. 10. In
the diesel fuel is at its maximum (among the investigated cases), while contrast, as the energy fraction of NH3 increases, the NH3 flame speed
the lowest emissions-level are observed at an NH3 energy fraction of 80 becomes slower and its flame temperature decreases. Consequently, the
% (113 g/kW.h) wherein the quantity of the diesel fuel is at its mini oxidation process of NH3 extends, which increases the N2O production
mum. As illustrated, CO2 decreases as the NH3 energy fraction increases. tendency. Therefore, the decomposition and formation of N2O are
This is because of the fact that in the NH3 the combustion does not influenced by two factors of NH3 combustion, namely the combustion
generate CO2. Zhu et al. [29] also reported similar results regarding CO2 speed and the in-cylinder temperature. Moreover, the significant in
GHG emissions. The utilization of NH3 as a fuel releases N2O, which is a crease of N2O at NH3 energy fraction of 80 % is attributed to the
byproduct commonly associated with the combustion of nitrogen- occurrence of incomplete combustion.
containing fuels. Reactions in Eq. (1) and Eq. (2) can be referred to as Fig. 14 provides a comprehensive comparison of various NH3 energy
the reaction pathways [48]. The reactions take place in the presence of fraction cases, focusing on IMEP, CE, NOx emission level, and GHG
NO2 and NO at temperatures below 1400 K [49]. emissions of CO2 and N2O. The results indicate that when using a 70 %
NH3 energy fraction in the RCCI combustion mode, while maintaining
NH + NO → N2O + H (1) CE and IMEP, there is a decrease in the level of NOx and GHG pollutants
NH2 + NO2 → N2O + H (2) compared to other cases. Therefore, this mode is considered the most
suitable among the alternatives. It was also observed that there is a
Upon analyzing the data, the observation indicates that when the trade-off between the emission of N2O and NOx with the increase of NH3
NH3 energy fraction is raised from 30 to 50 %, there is a minor decline in energy fraction. Zhu et al. [29] also mentioned this issue. Further details
N2O greenhouse gas emissions. However, this is subsequently followed can be found in the preceding sections.
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
Fig. 17. Concentration of NC7H16 in relation to SOI variations (20 to 80◦ bTDC) at TIVC = 460 K.
3.2. Combined effect of SOI and TIVC flame temperature exhibited by NH3. Furthermore, advancing the SOI
timing results in a milder HRR at the SOC. Additionally, increasing the
This section focuses on investigating the influence of injection timing TIVC values from 420 to 480 K advances the combustion phasing even
of diesel fuel and different TIVC values on combustion characteristics in more with shorter CD and higher HRR, resulting in an earlier and higher
NH3/diesel RCCI engine. According to the study, variations in com in-cylinder peak pressure.
bustion characteristics occur as a result of differences in mixing time and Fig. 18 illustrates the impact of SOI timing on the CA10 at various
flame distribution, which are dependent on the diesel injection strategy. TIVC. For all investigated TIVC, shifting the SOI from 20 to 40◦ bTDC leads
Additionally, the amount of diesel used varies based on the NH3 energy to advancement of the CA10. It is also seen that, shifting the SOI from 40
fraction, while keeping the total energy share of the fuel constant. to 80◦ bTDC delays the CA10. Fig. 16 presents concentration contours of
Fig. 15 displays the simulated in-cylinder pressure and HRR of the RCCI hydroxyl (OH), species, which confirms that combustion initiates earlier
engine under various amounts for SOI timings and TIVC, while main at an SOI of 40◦ bTDC compared to other injection timings. This can be
taining a 75 % share of total fuel energy for NH3. In all mentioned TIVC, attributed to the increased localized diesel fuel concentration zones, as
the advancement of the SOI timing from 20 to 40◦ bTDC leads to in- can be realized in the contours of Fig. 17. Furthermore, advancing the
cylinder peak pressure rise, and advancement in the SOC. However, at SOI timing in the RCCI mode provides enough time for mixing the
SOI = 50◦ bTDC, the combustion mode transition from dual fuel to RCCI injected fuel with air forming a uniform fuel mixture, e.g., HCCI mode,
occurred. In this case, when the SOI timing is advanced up to 80◦ bTDC, which decreases the localized diesel fuel concentration zones leading to
it leads to an increase in in-cylinder peak pressure and a delay in the a delayed SOC. Based on the Fig. 16 For SOI of 20◦ bTDC, it is observed
SOC. The observed behavior can be ascribed to the comparatively that combustion starts from the injection cone indicating a dual fuel
sluggish rate at which the flame propagates and the lower adiabatic combustion mode, while for SOI of 50◦ bTDC, combustion starts from
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
the mixed mixture indicating a RCCI combustion mode. By increasing phasing advances until 50◦ bTDC; however, once the SOI timing sur
TIVC, there is not significant change in the CA10 at SOI = 20 up to 60◦ passes 50◦ bTDC, the combustion phase experiences a delay as a result of
bTDC, but at SOI = 80◦ bTDC, it advances the CA10. Fig. 19 illustrates the ignition delay effect. Shin and Park [9] also reported similar results
the combustion phasing diagram in conjunction with variation of SOI regarding combustion phasing. Additionally, elevating the initial charge
timing and TIVC. Almost similar to the CA10 version, the combustion temperature leads to enhanced reaction rates, subsequently causing an
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
Fig. 24. Effect of diesel SOI timing and TIVC on CO emission level.
Fig. 22. Effect of diesel SOI timing and TIVC on IMEP.
Fig. 25. Effect of diesel SOI timing and TIVC on HC emission level.
Fig. 23. Effect of diesel SOI timing and TIVC on NOx emission level.
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
4. Conclusion
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A. Hossein Fakhari et al. Fuel 365 (2024) 131182
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