Journal of Cleaner Production 436 (2024) 140622

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Journal of Cleaner Production

journal homepage: www.elsevier.com/locate/jclepro

Enhancing ammonia engine efficiency through pre-chamber combustion

and dual-fuel compression ignition techniques
Xinlei Liu a, *, Qinglong Tang b, Hong G. Im a
a
CCRC, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955, Saudi Arabia
b
State Key Laboratory of Engines, Tianjin University, Tianjin, 300072, PR China

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

Handling Editor: Panos Seferlis In pursuit of unleashing ammonia’s potential in internal combustion engines, an extensive computational study
was conducted to explore the effects of two advanced combustion techniques: pre-chamber combustion (PCC)
Keywords: and dual-fuel compression ignition (DF− CI) on a heavy-duty ammonia engine. In the PCC mode, hydrogen was
Ammonia introduced into the pre-chamber (PC) to generate distributed reacting jets, with a small energy fraction of 0.5%.
Pre-chamber combustion
The case featuring a slightly narrower PC throat (diameter of 5.4 mm) yielded the highest indicated thermal
Dual-fuel
efficiency (ITE) of 50.4%, owing to the rapid distribution of reacting jets and advanced combustion phasing.
Spark ignition
Hydrogen Further increase in hydrogen energy fraction and reduction in throat diameter resulted in a lower ITE because of
the enhanced wall heat transfer loss. The DF− CI mode also exhibited significant potential for achieving high
efficiency. Through a systemic optimization of parameters such as diesel injection timing, spray included angle,
injection pressure, swirl ratio, and piston shape, a significantly enhanced ITE of 50.3% was attained, 7.2% higher
than the baseline scenario. The improvement was primarily attributed to the promoted mixing of diesel with air.
Among the design parameters, the swirl ratio and spray included angle exhibited the most significant impact on
the engine performance. Overall, both the PCC and DF− CI modes were found to yield high ITE and low ammonia
emissions. However, because 20% of the diesel energy fraction was utilized to mitigate ammonia slip in the
DF− CI mode, notably higher greenhouse gas emissions (carbon dioxide of 96 g/kW-h) were generated than in the
PCC mode. In this regard, the ammonia-hydrogen PCC mode should be a more promising solution to achieve
zero-carbon emissions for future ammonia engines.

2023) and ammonia (Uddeen et al., 2023; Wang et al., 2023a; Xu et al.,
2023a; Zhou et al., 2023) are receiving significant attention in the field
1. Introduction
of engine combustion due to their carbon-neutral nature. However,
hydrogen requires extremely low temperatures to be liquefied and is
The increasing greenhouse gas (GHG) emissions are considered a
typically stored and transported as a highly compressed gas, leading to
major cause of global warming. In response to this critical issue, in 2015,
substantially higher costs. In contrast, ammonia can be easily liquefied
the Paris Agreement was forged through the collaborative efforts of 196
under relatively low pressure (approximately 9 bar) at room tempera­
countries. The primary aim of this accord is to regulate GHG emissions
ture and it has a volumetric energy density 1.6 times greater than
and limit the global temperature increase to within 2 ◦ C above pre-
hydrogen. Therefore, ammonia is considered a good hydrogen carrier.
industrial levels. To fulfill the target, it is critical to transform the
Moreover, the well-established industrial infrastructure for the pro­
transportation sector which is one of the major contributors to carbon
duction, transportation, and storage of ammonia makes its extensive use
dioxide (CO2) emissions. While the battery electric and fuel cell vehicles
in transportation and power generation a feasible prospect in the near
are rapidly growing, conventional internal combustion engines (ICEs)
future.
powered by renewable fuels such as hydrogen (H2) (Matthias et al.,
Ammonia can be utilized in both compression ignition (CI) and spark
2012) and ammonia (NH3) (Valera-Medina et al., 2018), are being
ignition (SI) engines. However, due to its high autoignition temperature,
explored as competitive and sustainable alternatives for future trans­
low flame velocity, and limited flammability, ammonia requires a high
portation, particularly in heavy-duty applications.
compression ratio or elevated intake temperatures for successful ignition
Both hydrogen (Babayev et al., 2022; Gao et al., 2022; Lee et al.,

* Corresponding author.
E-mail address: xinlei.liu@kaust.edu.sa (X. Liu).

https://doi.org/10.1016/j.jclepro.2024.140622
Received 27 October 2023; Received in revised form 19 December 2023; Accepted 4 January 2024
Available online 9 January 2024
0959-6526/© 2024 Elsevier Ltd. All rights reserved.
X. Liu et al. Journal of Cleaner Production 436 (2024) 140622

Nomenclature MPRR Maximum pressure rise rate

N2 Nitrogen
AEF Ammonia energy fraction N2O Nitrous oxide
AHRR Apparent heat release rate NC7H16 n-Heptane
AMR Adaptive mesh refinement NH3 Ammonia
aTDC After top dead center NOx Oxides of nitrogen
CA5, 50, 90 Crank angle when 5%, 50%, or 90% of the energy is P Pressure
released PC Pre-chamber
CAD Crank angle degree PCC Pre-chamber combustion
CFD Computational fluid dynamics PCFR PC fueling ratio
CI Compression ignition φ Equivalence ratio
CO2 Carbon dioxide φa Equivalence ratio of ammonia
CR Compression ratio Pinj Injection pressure
DF Dual-fuel SA Spray angle
EVO Exhaust valve opening SI Spark ignition
GHG Greenhouse gas SOI Start of injection
H2 Hydrogen ST Spark timing
HRR Heat release rate SR Swirl ratio
HT Heat transfer T Temperature
ICE Internal combustion engine Tavg Average temperature
ID Ignition delays TDC Top dead center
ITE Indicated thermal efficiency TKE Turbulent kinetic energy
IVC Intake valve closing V Velocity
MC Main chamber 3D Three-dimensional

in SI engines (Gray et al., 1967). Even in such cases, pure ammonia
combustion in SI engines still suffers from reduced fuel efficiency and
increased incomplete combustion compared to conventional gasoline SI
engines. To enhance engine performance, hydrogen or gasoline is usu­
ally used to blend with ammonia to enhance the reactivity (Pandey
et al., 2023). Additionally, the implementation of multiple spark plugs
can expedite the flame propagation process, thereby significantly
boosting the engine’s thermal efficiency. In contrast, in CI engines, an
auxiliary high-reactivity fuel, such as diesel or dimethyl ether, is used to
initiate high-temperature ignition, a mode referred to as dual-fuel (DF)−
CI (Xu and Bai, 2023). Given that CI engines typically possess higher
compression ratios than SI engines, they often yield greater thermal
efficiency and lower incomplete combustion losses in the DF− CI mode.
Consequently, CI engines are the preferred choice for heavy-duty ap­
plications such as marine ships, trucks, and power generators.
Early research into the ammonia dual-fuel compression ignition
(DF− CI) mode was pioneered by Pearsall and Garabedian (1967).
Through an examination of the impact of various pilot fuels on power
output and fuel consumption, their work revealed that fuels with high
cetane numbers contributed to superior engine performance. Optimal
fuel economy was achieved within an overall equivalence ratio (φ) range
of 0.7–0.75, while the maximum power output was attained at an overall
φ of approximately 0.9. Reiter and Kong (2011) explored the effects of
pilot energy fraction on combustion and emission characteristics in a
four-cylinder ammonia DF− CI engine. Their findings indicated that the
ideal fuel economy demanded the utilization of 40–60% of the pilot fuel
energy fraction, with a notable increase in oxides of nitrogen (NOx)
emissions when this fraction exceeded 50%. Niki et al. (2019) reported
that ammonia emissions were promoted with the addition of ammonia
to the intake. While the use of pilot or post-injection could reduce
ammonia emissions, it unexpectedly increased nitrous oxide (N2O)
emissions. More recent work by Jin et al. (2023) introduced a split in­
jection strategy that effectively reduced N2O emissions with an
ammonia energy fraction of 50%. Nevertheless, as N2O holds almost 300
times the global warming effect of CO2, the net reduction in GHG
emissions was only 14.2% when compared to pure diesel combustion.
Consequently, the adoption of after-treatment systems and advanced
combustion strategies is imperative for further GHG reduction.
The pre-chamber combustion (PCC) mode (Zhou et al., 2023; Liu
et al., 2023a; Dong et al., 2023; Cao et al., 2023; Wei et al., 2023)
emerges as a potential solution for achieving high efficiency and low
GHG emissions in ammonia engines. Different from the DF− CI mode,
which depends on high-reactivity hydrocarbon fuels such as diesel to
initiate high-temperature combustion, the PCC mode generates distrib­
uted reacting jets by capitalizing on the pressure differential between
the pre-chamber (PC) and main chamber (MC) (Zhao et al., 2023). In
comparison to the passive PCC mode, which involves no auxiliary fuel
delivery through the PC, the active PCC mode extends the lean-burn
limit and ensures enhanced combustion stability (Hlaing et al., 2019;
Liu et al., 2023b). Extensive research has explored the impact of various
PC and piston geometries on the combustion characteristics of PC en­
gines (Shah et al., 2015; Silva et al., 2020, 2022; Hlaing et al., 2022). The
throat diameter was identified as having a more pronounced effect on PC
buildup than the nozzle’s diameter and length (Silva et al., 2020). Given
the substantial interaction between reacting jets and the piston wall,
co-optimization of the PC and piston is crucial for achieving optimal
engine performance (Liu et al., 2023c). Despite extensive studies on
gasoline (Attard and Blaxill, 2012), natural gas (Shah et al., 2014),
methanol (Liu et al., 2023b; Wang et al., 2022), and hydrogen PCC (Liu
et al., 2023d), research on ammonia PCC remains relatively limited.
Note that the active ammonia PCC mode, when combined with auxiliary
fuel such as hydrogen supplied to the PC, significantly accelerates the
combustion of the ammonia-air mixture. While this approach has the
potential to achieve zero CO2 emissions, prior studies on the NH3–H2
PCC mode (Wang et al., 2023a; Liu et al., 2023e) in light-duty applica­
tions reported relatively high incomplete combustion losses with a
single-hole PC design. Consequently, there is a pressing need for further
fundamental research and optimization studies to enhance the efficacy
of this innovative combustion mode.
In the present work, a comprehensive investigation of the NH3–H2
PCC and NH3-diesel DF− CI combustion modes on a heavy-duty engine
was conducted, to identify which combustion mode could be the better
solution for future ammonia engines. The computational fluid dynamics
(CFD) modeling method was employed. Under both modes, some of the
key design parameters such as ammonia energy fraction and piston
shape etc. were varied and optimized. In particular, to attain the best

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engine performance in the PCC mode, an optimized multi-hole PC based
on our previous study on methane PCC mode (Silva et al., 2022) was
implemented. Extensive analyses were performed by examining the
engine performance and emissions data. The findings of this work are
expected to guide the design of future ammonia engines.
2. Methodology
2.1. Engine configuration
The prototype engine under investigation is a single-cylinder heavy-
duty diesel engine. Table 1 provides an overview of the engine and pre-
chamber (PC) specifications. A more in-depth analysis of the engine
configuration can be referred to (Hlaing et al., 2020). The narrow-throat
PC developed at KAUST was designed as a drop-in solution for the
commercial high-pressure DI injector. This new assembly incorporates
the spark plug, pressure sensor, and auxiliary gaseous fuel supply sys­
tem. Previous experimental studies (Hlaing et al., 2020, 2021) have
demonstrated the efficacy of the narrow-throat PC in significantly
extending the lean-burn limits for various fuel types. However, when
auxiliary hydrogen is introduced into the PC, there’s an elevated risk of
detonation and knocking (Liu et al., 2023d). Therefore, a larger throat
design proves more suitable for the hydrogen-assisted PCC mode (Liu
et al., 2023f). In this study, the optimized large-throat PC selected out of
300 designs (Silva et al., 2022), was utilized as a reference. Furthermore,
it’s important to note that the compression ratio (CR) was increased
from the original 11.5:1 to 20:1 in order to promote ammonia com­
bustion. This led to a reduction in the PC throat height and volume, a
necessary step to mitigate the maximum pressure rise rate (MPRR). For a
visual comparison, the original and optimized PCs are presented in
Fig. 1.
2.2. Parametric cases
In this study, the PCC and DF− CI modes were investigated. The key
details of the engine operating conditions and parametric cases are
summarized in Table 2. For both combustion modes, the intake tem­
perature and pressure were maintained at room conditions at, 298 K and
1 atm. Ammonia injection occurred through the intake port at − 360◦
crank angle after top dead center (CA aTDC). In the PCC mode, auxiliary
hydrogen was introduced into the PC with a start of injection (SOI)
timing also set at − 360◦ CA aTDC. The optimization of engine perfor­
mance involved variations in the PC fuel energy ratio (PCFR), defined as,
QH2
PCFR =
QNH3 + QH2
In the DF− CI mode, considering the high CR, a high ammonia energy
fraction (AEF) of 80% was applied to reduce CO2 emissions. A further
increase in AEF would lead to a significantly higher combustion loss.
Moreover, various primary engine design and control parameters,
Table 1
Engine and PC specifications.
Type 4-stroke
Bore/Stroke (mm) 131/158
Connecting rod length (mm) 255
Displacement volume (L) 2.1
Compression ratio (bowl) 11.5/20a
Swirl ratio 0 for the DF− CI simulation cases, specific attention was given to the
PC volume (cm3) 5.07/3.75a
PC throat diameter (mm) 3.3/6.4a
PC nozzle diameter (mm) 1.5/1.42a
PC nozzle layer number 2/1a
PC nozzle number 12/8a
PC nozzle angle (◦ ) 134/149a
a
Bold font is the case with the optimized PC.
Journal of Cleaner Production 436 (2024) 140622
including spray angle (SA), swirl ratio (SR), injection pressure (Pinj), and
nozzle hole diameter (Dnoz), were adjusted to achieve optimal engine
performance. Furthermore, for both combustion modes, three distinct
piston shapes were examined. Detailed geometry information for these
pistons is provided in Fig. 2. P0 represents an ω-type piston used in the
PCC engine experiment at KAUST (Hlaing et al., 2020). P1 is a flat piston
that demonstrated exceptional engine performance in the methanol PCC
mode (Liu et al., 2023b). P2 is an ω-type piston employed in the DF− CI
experiment at Tianjin University (Jin et al., 2023). Lastly, P2* is a U-type
piston that was found to be an optimal design in the methane PCC mode
(Liu et al., 2023c).
2.3. Computational models
Three-dimensional (3D) CFD simulations were conducted using
CONVERGE/3.0 (Richards et al.). In the PCC mode, full-cycle simula­
tions starting from the exhaust valve opening (EVO) timing were per­
formed to attenuate the influence of internal gas exchange on computing
uncertainties (Liu et al., 2023g). In the DF− CI mode, closed-cycle sim­
ulations were performed from the intake valve closing (IVC) to EVO
timing to save computational expenses. In addition, given the axisym­
metric piston geometry and 8-hole injector configuration, a 45◦ -sector
computational domain was utilized. Note that the initial pressure and
temperature at the IVC timing for the DF-PI cases were calculated from
the full-cycle simulations. For both combustion modes, the intake
mixture was assumed homogenous for simplifications. In the PCC mode,
an injection rate profile referenced from methane injection (Hlaing
et al., 2020) was applied to model the hydrogen injection process. In the
DF− CI mode, an in-house injector model (Liu et al., 2023h) was used to
calculate the ROI profile for diesel injection.
The Redlich-Kwong equation of state (Redlich and Kwong, 1949)
was employed to calculate density. The mixture-averaged diffusion
properties were considered. The renormalization group k-ε model (Han
and Reitz, 1995) was used for turbulence closure. The detailed chemistry
combustion solver SAGE (Senecal et al., 2003) coupled with the newly
developed reduced mechanism was applied to simulate the combustion
process. The wall heat transfer (HT) loss was predicted by the O’Rourke
model (O’Rourke and Amsden, 2000). Furthermore, in the DF− CI mode,
the Lagrangian method was adopted to simulate the diesel injection
process. The spray breakup, droplet collision, and droplet evaporation
were predicted by the Kelvin-Helmholtz Rayleigh-Taylor model (Beale
and Reitz, 1999), the no-time-counter algorithm (Schmidt and Rutland,
2000), and the Frossling correlation (Froessling, 1956), respectively. For
all the simulation cases, the conservation equations were solved with the
PISO algorithm and a varying time-step scheme was implemented to
(1) control the computational time step. Considering the balance between
computational accuracy and cost, a unity convective CFL number was
employed. In particular, in the PCC mode, a peak Mach CFL number of 3
was imposed during the jet issuing stage to ensure the computational
accuracy.
Comprehensive details regarding the mesh configuration can be
found in Table S1 in the Supplementary Material. Fig. S1 presents the
computational meshes used in both combustion modes. In the simula­
tions involving PCC, fixed embeddings were applied throughout the PC
region with a finer grid size of 0.25 mm during the primary combustion
stage. As the simulation transitioned to the SI stage, further refinement
was employed in the regions around the spark plug and the PC nozzle
channel, with a minimum grid size of 0.125 mm. Downstream of the
nozzles, the mesh was refined with a grid size of 0.25 mm. In contrast,
injector downstream, with a minimum grid size of 0.125 mm. This finer
mesh was implemented to more accurately resolve the flow field in the
vicinity of the injector nozzle. In all simulation cases, the adaptive mesh
refinement (AMR) model was activated, which allowed the generation
of a minimum mesh size of 0.25 mm in the bulk region during the pri­
mary combustion process, ensuring a high level of detail and accuracy in
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X. Liu et al. Journal of Cleaner Production 436 (2024) 140622

Fig. 1. Schematics of the (a) PC engine and (b) two PCs.

combustion chemistry. Fig. 3 shows the schematic of the combined

Table 2
reduced mechanism. Since a hierarchical structure (Liu et al., 2021) was
Details of simulation cases.
applied for the development of a combined reduced mechanism, the
Parameters PCC DF− CI upper-class NC7H16 combustion pathway was kept while the lower-class
Engine speed [rpm] 1200 1200 C0–C1 chemistry was replaced by the combined reduced NH3–H2–C1
Swirl ratio 0 0, 1.5 mechanism. Note that one interaction reaction pathway between NH3
IMEP [bar] ~10 ~10 and NC7H16 via H-abstraction from NC7H16 by NH2 was added, as pro­
φa 0.88 0.66
Pintake [bar] 1.0 1.0
posed by Dong et al. (2022). The reduced mechanism together with the
AEF [%] 98–99.5 80 thermodynamic and transport data files are provided in the Supple­
DI SOI timing [◦ CA aTDC] ~ ¡15 to -35 mentary Material.
DI Pinj [bar] ~ 600, 1000 The measured ignition delays (IDs), species profiles, and laminar
ST [◦ CA aTDC] ¡10 to -25 ~
flame velocities from the literature were collected for mechanism vali­
Nozzle diameter [mm] 1.42 (PC) 0.13–0.19 (DI injector)
Nozzle included angle [◦ ] 149, 160 130–160 dations. The experimental uncertainties reported in the literature (Jin
et al., 2023; Shu et al., 2019; Chen et al., 2021; Yu et al., 2020; Zhang
Note: Bold font represents the varied value.
et al., 2021; Bakali et al., 1998; van Lipzig et al., 2011) are summarized
in Table 3. In simulations, the SENKIN, AURORA, and PREMIX codes
within the CHEMKIN package (Kee et al., 1989) were used for calcula­
tions. Note that a homogenous reactor at a constant volume condition

Fig. 2. Profiles of various piston geometries. Note that P0, P1, and P2 were
used for DF− CI simulations, and P0, P1, and P2* were used for PCC
simulations.

the simulations.

2.4. Computational validations

2.4.1. Validation of reduced mechanism

KAUST (Zhang et al., 2023) proposed a detailed NH3 combustion
mechanism including 152 species and 1388 reactions. Due to its large
size, efforts were made to reduce it using the directed relation graph
with an error propagation method (Niemeyer and Sung, 2011). The
reduced NH3 mechanism was combined with the reduced version (Li
et al., 2019) of the Aramco 2.0 mechanism (Metcalfe et al., 2013; Zhou
et al., 2018). Subsequently, the reduced n-heptane (NC7H16) mechanism
by Chang et al. (2022) was incorporated to describe the diesel Fig. 3. The hierarchical structure of the reduced NH3-n-heptane mechanism.

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X. Liu et al. Journal of Cleaner Production 436 (2024) 140622

Table 3 Both the mechanisms of this work and Zhang et al. (2023) gave similar
Summary of the experimental uncertainties. predictions, exhibiting overall good agreement with the experiment. In
Exp. Type Uncertainty particular, the NO and N2O formation was accurately predicted for a
range of temperatures and H2 blending ratios. Fig. S2 compares the
ID NH3 <20%
NH3/H2 <20% experimental (Ichikawa et al., 2015) and predicted laminar flame speeds
NC7H16 Not reported of the NH3/H2/air mixtures at φ = 1.0 and P = 5 atm. Again, the reduced
NH3/NC7H16 <15% mechanism of this work predicted similar results to the Zhang mecha­
JSR species NH3/H2 <10% nism (Zhang et al., 2023), both showing a good agreement with the
Flame species NC7H16
measured data with the variation of the H2 blending ratio. Furthermore,
<3%
Flame speed NH3/H2 Not reported
NC7H16 <0.8 cm/s the n-heptane combustion chemistry was validated against the
DF− CI engine Cylinder pressure <0.4 bar measured species data of a premixed NC7H16/nitrogen (N2)/O2 flame
Emissions <1% (Bakali et al., 1998) and laminar flame speeds of NC7H16/air mixtures at
Ammonia mass <0.35%
different φ (van Lipzig et al., 2011), as presented in Fig. S3. The good
Diesel mass <0.12%
predictions of n-heptane combustion indicate that the combustion
chemistry of n-heptane has been well established by the combined
was applied to compute IDs in shock tubes while varying volume profiles reduced mechanism of this work.
were implemented in rapid compression machines. Fig. 4 presents the
measured (Shu et al., 2019; Chen et al., 2021; Yu et al., 2020; Fieweger 2.4.2. Validation of engine combustion
et al., 1997) and predicted IDs for NH3, NH3/H2 mixtures, NC7H16, and The ammonia-diesel DF− CI combustion experiment conducted by
NH3/NC7H16 mixtures. In Fig. 4(a) and (b), the predicted IDs by the Tianjin University (Jin et al., 2023) was employed for the validation of
Zhang mechanism (Zhang et al., 2023) were also included for compar­ the engine simulations. The engine specifications and experimental
ison. Both mechanisms gave similar predictions, in reasonable agree­ conditions are summarized in Table S2. The measured uncertainties are
ment with the experiment. In addition, the combined reduced listed in Table 3. Further details of the experiment can be found in (Jin
mechanism was also able to reasonably predict the IDs of the NC7H16 et al., 2023). Briefly, the experiment was conducted on a heavy-duty
and NH3/NC7H16 mixtures, as shown in Fig. 4(c) and (d). Note that when single-cylinder diesel engine, which has a high CR at 18.5:1. The en­
compared to the reduced mechanism developed by Xu et al. (2023a), the gine speed was set at 1000 rpm and the IMEP was controlled at about 6
mechanisms developed in this study, as well as by Wang et al. (2023b), bar. The intake pressure was fixed at 1.2 bar. The diesel energy fraction
exhibited slightly better agreement with experimental data, particularly ranged from 0% to 80% and was injected at − 14◦ CA aTDC with a
in the lower-temperature range (650–750 K). This improvement was pressure of 600 bar. Fig. S4 illustrates the computational domain.
primarily attributed to the incorporation of the NH3 and NC7H16 Because an 8-hole injector was utilized in the experiment, a sector
cross-reaction into the mechanism. computational domain was modeled to save computational expenses.
Fig. 5 shows the measured (Zhang et al., 2021) and predicted evo­ Fig. 6 shows the measured and predicted pressure and apparent heat
lution profiles of NH3, H2O, NO, and N2O for the NH3/N2/O2 mixture release rate (AHRR) profiles at different AEF. Fig. 7 summarizes the
with different H2 blending ratios at pressure (P) of 1 atm and φ of 1.0. comparison of the indicated thermal efficiency (ITE) and NOx emissions.

Fig. 4. Measured and predicted IDs for (a) NH3, (b) NH3/H2, (c) NC7H16, and (d) NH3/NC7H16.

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X. Liu et al. Journal of Cleaner Production 436 (2024) 140622

Fig. 5. Measured and predicted evolution profiles of (a) NH3, (b) H2O, (c) NO, and (d) N2O at the variation of H2 volume fraction (φ = 1.0, P = 1.0 atm, and
residence time at 1.0 s). Solid lines: this work; Dash dot lines: Zhang mechanism.

Fig. 6. Comparison of the measured and predicted P-AHRR traces at different AEF.

Liu et al., 2023g) was taken as a reference. Considering the good

agreement with pure NH3 and NH3–H2 mixture and the NH3-diesel
combustion in DF− CI engines, it was anticipated the PCC simulations
with NH3–H2 mixtures would yield results with reasonable fidelity and
thus were used for parametric studies discussed in the following.

3. Results and discussion

3.1. DF− CI mode

Fig. 7. Comparison of the measured and predicted ITE and NOx emissions.
An overall reasonable agreement is seen between the simulation and
experiment. Although the NOx emissions were slightly overpredicted,
the declining trend with the growth in AEF was well captured.
For the ammonia-hydrogen PCC mode, no experimental data are
available for rigorous validation. Therefore, our previously well-
validated computational setup for the methane PCC (Silva et al., 2022;
To optimize the engine performance at the ammonia-diesel DF− CI
mode, the SA, Pinj, SR, piston shape, and Dnoz of the diesel injector were
varied and examined. In addition, the pilot diesel SOI timing was swept
from − 15◦ to − 35◦ CA aTDC to identify the optimal operating point. To
minimize CO2 emissions, the diesel quantity was kept as small as
possible. Therefore, a 20% energy fraction of diesel was adopted, cor­
responding to the AEF at 80%. Further growth in AEF or advance in SOI
timing would increase the incomplete combustion loss and lower the
ITE. Two injection pressures at 600 and 1000 bar were evaluated, and

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X. Liu et al.
the further increase in injection pressure did not benefit the improve­
ment in ITE and yielded a higher MPRR. For the same reason, only two
swirl ratios at 0 and 1.5 were studied.
For quantitative analyses, energy balance accounting for the
contribution of engine work, wall heat transfer loss, incomplete com­
bustion loss, and exhaust loss was evaluated by,
QFuel = W + QHT + QIncom + HExh
where the incomplete combustion loss was computed by summing the
total energy of hydrocarbon and hydro-nitrogen compounds at the EVO
timing. The exhaust loss was computed indirectly by subtracting the sum
of the other three quantities from the total fuel energy.
3.1.1. Effects of spray angle
Fig. 8 presents the predicted ITE, combustion loss, and NOx emissions
for the DF− CI cases. ITE and combustion loss exhibit a clear trade-off
relationship with the variation of SA for each set of cases. There exists
an optimal SOI timing at a fixed SA. Among the cases under study, the
configuration with an SA of 140◦ and a pilot SOI timing of − 30◦ CA
aTDC delivers the highest ITE and slightly higher NOx emissions, while
cases with an SA of 160◦ generally result in lower ITE and NOx emis­
sions. In all cases, except those with an SA of 160◦ , a noticeable increase
in NOx emissions is observed with an earlier pilot SOI timing. Note that
ammonia combustion is significantly distinct from conventional diesel
combustion because ammonia is a main source of fuel-type NOx emis­
sions (Xu et al., 2023b). From − 15◦ to − 30◦ CA aTDC, the increase in
NOx emissions is attributed to the longer high-temperature combustion
period (seen in Fig. S5), leading to more NO formation. While from − 30◦
to − 35◦ CA aTDC, the increase in NOx emissions is primarily due to the
significantly extended combustion period, leading to more N2O
formation.
For a more detailed analysis, Fig. 9 compares the predicted P-AHRR
profiles, energy balance, NOx emissions, and average temperature
(Tavg)-NOx mass profiles for four representative cases at an SOI timing of
− 30◦ CA aTDC. It’s evident that a wider SA leads to a delay in com­
bustion phasing, as seen in Fig. S6 which shows the changes of CA5,
CA50, and CA90 (the timings when 5%, 50%, and 90% of the heat is
Fig. 8. Predicted ITE, combustion loss, and NOx emissions for the DF− CI cases
at different SA.
Journal of Cleaner Production 436 (2024) 140622
(2)
Fig. 9. Predicted traces of P-AHRR, energy balance, NOx emissions, and traces
of Tavg and NOx mass.
released) with the variation of SA. The delayed combustion phasing is
primarily attributed to the increased fuel content within the squish re­
gion, as observed in Fig. 10. Consequently, combustion temperature
within the squish region becomes higher, leading to increased wall heat
transfer (HT) losses. However, since the combustion speed within the
piston chamber is reduced, the combustion duration is significantly
extended, yielding lower combustion temperature and hence more
incomplete combustion loss but less NOx emissions.
The significance of the SA lies in its direct influence on both the
mixture distribution and the ignition process. Notably, at SA = 130◦ , an
earlier spray impingement occurred, leading to the creation of a locally
rich region within the piston, as shown in Fig. 10. This, in turn, signif­
icantly enhances local reactivity and advances the combustion phasing.
However, in comparison to the case with SA = 140◦ , the combustion
region in the case with SA = 130◦ exhibits a noticeable split at the edge
of the piston rim, extending partially into the squish region. Conse­
quently, the combustion process for bulk NH3 and NOx formation in the
combustion chamber slows down during the later stages. This is re­
flected in the lower AHRR values observed after 5◦ CA aTDC in Fig. 9(a).
Consequently, a relatively higher combustion loss and, subsequently,
lower ITE and NOx emissions are found. For similar reasons, despite
achieving higher ITE due to more advanced combustion phasing than
the case with SA = 148◦ , the NOx emissions are relatively lower.
3.1.2. Effects of injection pressure and swirl ratio
To further investigate the impact of Pinj and SR, the previous case
with an SA of 140◦ was used as the baseline case. Fig. 11 shows the
predicted ITE, combustion loss, MPRR, and NOx emissions with the
changes in Pinj and SR. In general, both increased Pinj and SR reduce
combustion losses, leading to an improved ITE. However, the enhanced
premixed combustion process results in higher MPRR and increased NOx
emissions due to elevated combustion temperatures. Excluding the case
with overly-high MPRR, the highest ITE of 49.3% and the lowest com­
bustion loss of 0.3% are achieved at Pinj = 1000 bar, SR = 1.5, and SOI =
− 15◦ CA aTDC. Further increases in Pinj and SR are likely to raise MPRR
and significantly constrain the range of diesel SOI timing.
Fig. 12 presents the predicted P-AHRR traces, energy balance, NOx
7
X. Liu et al.
Fig. 10. Predicted distributions of NC7H16, T, NH3, and wall temperatures on the piston and head.
Fig. 11. Predicted ITE, combustion loss, MPRR, and NOx emissions for the
DF− CI cases at different Pinj and SR.
emissions, and Tavg-NOx mass profiles for four representative cases with
different Pinj and SR at SOI = − 15◦ CA aTDC. The increased Pinj and SR
enhance the mixing process, promoting both the first and second peak
AHRR, thus advancing the combustion phasing (seen in Fig. S7). This
leads to reduced combustion and exhaust losses while increasing ITE,
temperature, and NOx emissions. Note that the influence of SR on
8
Journal of Cleaner Production 436 (2024) 140622
Fig. 12. Predicted traces of P-AHRR, energy balance, NOx emissions, and traces
of Tavg and NOx mass.
combustion performance is more significant than that of Pinj, as
observed by the more substantial discrepancies in ITE, combustion loss,
and NOx emissions in Fig. 12 (b).
Fig. 13 highlights the substantial impact of an increased SR on the
characteristics of the jet flame. The presence of a vigorous swirling flow
promotes the fuel-air mixing process, evidenced by a higher mass frac­
tion of the lean region in the probability density function (PDF) of φ.
Note that a larger SR results in wider combustion regions within the
piston, leading to higher HT losses from the piston wall and lower losses
from the cylinder head. With the same SR, a larger Pinj generates higher
combustion temperature due to a more rapid combustion process, sub­
sequently causing increased wall HT losses. Additionally, the rise in in-
cylinder temperature induces the formation of autoignition pockets
within the piston core, as seen in Fig. 13(d). This is due to the presence of
X. Liu et al. Journal of Cleaner Production 436 (2024) 140622

Fig. 13. Predicted distributions of NC7H16, PDF of φ, and T on the jet trajectory and central planes as well as piston and cylinder walls.

unburnt NC7H16 vapor, accelerating the combustion of NH3, as seen by

the second peak in the AHRR profile in Fig. 12(a).

3.1.3. Effects of piston shape

Three different pistons including P0, P1, and P2 (seen in Fig. 2) were
examined. The previous two cases with Pinj at 600 and 1000 bar, SA =
140◦ and SR = 1.5 were taken as the baseline cases. Fig. 14 presents the
predicted ITE, combustion loss, MPRR, and NOx emissions for the six sets
of cases. In alignment with the previous discussion, an increase in Pinj
consistently yields an overall higher ITE. A remarkable maximum effi­
ciency of 50.26%, is achieved with the flat piston design, P1, under
conditions of Pinj = 1000 bar and SOI = − 25◦ CA aTDC. In contrast, P0,
operating at Pinj = 600 bar and SOI = − 30◦ CA aTDC, attains 49.37%,
primarily due to the higher combustion loss. Compared to the baseline
case of P0 at Pinj = 1000 bar, pistons P1 and P2 effectively mitigates
MPRR. On the other hand, P1 generates the highest NOx emissions,
owing to the highest peak combustion temperature.
Fig. 15 shows the predicted P-AHRR traces, energy balance, NOx
emissions, and Tavg-NOx mass profiles for the three distinct piston con­
figurations, all operating at a diesel SOI of − 15◦ CA aTDC. Both P1 and
P2 result in a larger fraction of heat release after TDC, so that their net
engine work surpasses that of P0. However, note that their NOx emis­
sions are higher than P0, due to the elevated combustion temperature
beyond 5◦ CA aTDC. For a more detailed insight, Fig. 16 shows the
predicted distributions of NC7H16 and T on the jet trajectory, central
planes, and piston and cylinder walls, as well as PDF of φ. The flow field
and mixing dynamics of NC7H16 are significantly influenced by the
piston shape, playing a crucial role in determining ignition locations and
combustion phasing. As depicted by the PDF of φ, P0 generates a richer
mixture with φ > 2, resulting in the earliest ignition and the most
advanced combustion phasing (Fig. S8). In contrast, P2 yields a leaner
mixture (φ < 1) compared to both P0 and P1, causing a delay in com­
bustion phasing and, consequently, an increase in exhaust loss. Note that
P2 exhibits the lowest heat transfer loss to the walls, primarily because Fig. 14. Predicted ITE, combustion loss, MPRR, and NOx emissions for the
the majority of the flame is contained within the piston bowl, thereby DF− CI cases using different pistons.
reducing heat transfer losses from the cylinder head.

9
X. Liu et al. Journal of Cleaner Production 436 (2024) 140622

and NOx emissions. Among all the cases explored, the operating point
featuring Dnoz = 0.13 mm and SOI = − 30◦ CA aTDC emerges as the
optimal configuration within the DF− CI mode. This configuration yields
the highest ITE at an impressive 50.3% and minimizes combustion loss
to a mere 0.1%.

3.2. Optimization of the PCC mode

To optimize the PCC performance, the effects of PCFR value and PC

and piston geometries were examined. The PCFR value was swept from
0.5% to 2.0%, corresponding to AEF from 99.5% to 98%. Furthermore,
the flat-piston (P1) and U-piston (P2*) that performed best at the
methanol (Liu et al., 2023b) and methane PCC modes (Liu et al., 2023c),
respectively, were also simulated and compared with the baseline
ω-piston (P0). In addition, aside from the baseline large-throat PC with
Dthroat of 6.4 mm, slightly narrower-throat PCs with Dthroat of 5.4 and

Fig. 15. Predicted traces of P-AHRR, energy balance, NOx emissions, and traces
of Tavg and NOx mass.

3.1.4. Effects of injector nozzle diameter

To further extend the potential of the DF− CI mode, the impact of
Dnoz of the pilot diesel injector on the engine performance and emissions
was also investigated. Four distinct Dnoz values ranging from 0.13 to
0.19 mm were examined. The injection rate profiles for each set of cases
were recalculated using a mathematical injection model (Liu et al.,
2023h). The previous case with Pinj at 1000 bar, SA = 140◦ , SR = 1.5,
and P1 was set as the baseline case. Fig. 17 compares the predicted ITE,
combustion loss, and NOx emissions for the DF− CI cases with different
Dnoz. As Dnoz is decreased, a noticeable reduction in combustion loss is
observed, resulting in higher ITE. This positive effect is attributed to the
enhanced diesel-air mixing process, leading to advanced combustion
phasing, as seen in Figs. S9 and S10 in detail. However, when Dnoz is
further reduced below 0.17 mm, the changes in P and AHRR become
negligible. Consequently, this trade-off relationship between improved Fig. 17. Predicted ITE, combustion loss, and NOx emissions for the DF− CI cases
mixing and extended injection duration yielded comparable levels of ITE with different Dnoz.

Fig. 16. Predicted distributions of NC7H16, T on the jet trajectory and central planes, piston and cylinder walls, and PDF of φ.

10
X. Liu et al.
4.4 mm were examined. For each set of parametric simulation cases, ST
was swept from − 10◦ to − 25◦ aTDC to identify the best operating point.
3.2.1. Effects of PCFR
Fig. 18 shows the predicted ITE, combustion loss, and NOx emissions
at different PCFR values. As ST is advanced, combustion loss is consis­
tently reduced, while ITE and NOx emissions show an upward trend for
each set of cases. This is attributed to the earlier combustion phasing and
the resulting higher combustion temperature (Figs. S11(a) and (b)).
However, note that wall HT loss increases concurrently with these
trends, eventually leading to a declined ITE (Figs. S11(c) and (d)).
Among the tested cases, the peak ITE of 50.2% is achieved with PCFR set
at 0.5% and ST at − 20◦ CA aTDC.
To gain a clearer understanding of the influence of PCFR values,
Fig. 19 provides a comparative analysis of predicted P-AHRR profiles,
energy balance data, NOx emissions, and Tavg-NOx mass profiles for
three distinct cases with varying PCFR values, all set at ST = − 20◦ CA
aTDC. In the range of PCFR values at 0.5%–1.0%, the increase in H2
mass within the PC effectively advances the combustion phasing (seen in
Fig. S12). This advancement results from the enriched mixture distri­
bution near the spark plug, as evident in Fig. 20. However, a further
increase of PCFR value from 1% to 2% does not yield any noticeable
promoting effect. This is because most of the enriched mixture remains
on the opposite side of the spark plug, leading to a similar PC pressure
buildup process as observed with PCFR set at 1%. Note that at − 5◦ CA
aTDC, the pressure within the MC exceeds that in the PC, which co­
incides with the rapid dissipation of jet velocity and turbulent kinetic
energy (TKE). Furthermore, the higher the PCFR value, the more
accelerated the dissipation process, driven by the advanced combustion
phasing, as evidenced by the elongated and wider reacting flame
surfaces.
On the other hand, the elevated combustion temperature (Fig. 20)
results in higher wall HT losses and a lower ITE. The increase in com­
bustion temperature also contributes to higher NOx emissions. More­
over, owing to the non-uniform mixture distribution within the PC and
the subsequent non-axisymmetric jet flame structure within the MC,
higher concentrations of NO are formed on the spark plug side, where
more OH radicals are generated.
Fig. 18. Predicted ITE, combustion loss, and NOx emissions for various
PCC cases.
11
Journal of Cleaner Production 436 (2024) 140622
Fig. 19. Predicted traces of P-AHRR, energy balance, NOx emissions, and traces
of Tavg and NOx mass.
3.2.2. Effects of piston shape
The impact of piston shape on the NH3–H2 PCC mode was further
investigated with three different piston designs, namely the ω (P0), flat
(P1), and U shaped (P2*) pistons. The P2 piston was excluded from PCC
simulations due to its risk of causing PC-piston interaction. The previous
baseline case with PCFR = 0.5% was utilized due to its superior ITE
performance. Fig. 21 compares the ITE, combustion loss, and NOx
emissions for the cases with various pistons. The P0 and P1 piston de­
signs generally outperform P2*. The highest ITE is achieved using the P0
piston at ST = − 20◦ CA aTDC. Note that the flat piston tends to generate
the lowest combustion loss among all the piston designs, although it also
results in the highest NOx emissions.
Fig. 22 shows the predicted P-AHRR profiles, energy balance data,
NOx emissions, and Tavg-NOx mass profiles for the three piston config­
urations at ST = − 20◦ CA aTDC. Due to a richer mixture distribution
within the PC before ST (Fig. 23), the P1 case initially initiates a more
advanced combustion process (Fig. S13), as evidenced by the higher
peak pressure value within the PC. However, the early interaction be­
tween the jet flame and the piston bowl slows down the flame propa­
gation process, causing the combustion phasing to be surpassed by the
P0 case. Consequently, the highest ITE is achieved with the P0 piston.
Additionally, the P2* case exhibits the lowest wall HT loss, primarily
due to its later combustion phasing (Fig. S13), which leads to the lowest
combustion temperature overall. This design also results in the lowest
NOx emissions among the three piston options, owing to the lowest
combustion temperature.
Upon a close examination at the nozzle exit region, at − 5◦ CA aTDC,
it is found that the jet issuing process for both the P0 and P1 cases just
ends due to the pressure build-up in the MC, inducing reverse flow
motion. However, in the case of P2*, the slower flame propagation
process within the PC implies that the jet ejection process is still in
progress. Due to the early interaction between the jet flame and the
piston in the P1 case, the flame surface becomes broader (as indicated by
the isosurface of T) compared to the other two piston designs. This broad
flame surface extends into a larger area within the squish region,
contributing to the reduction in combustion loss for the P1 case.
Furthermore, due to this early interaction, while the peak mass fraction
of NO on the central plane appears smaller for the P1 case compared to
X. Liu et al.
Fig. 20. Predicted distributions of λ, T, V, TKE, NO, OH, and isosurface of T = 1600 K.
Fig. 21. Predicted ITE, combustion loss, and NOx emissions for the cases with
different pistons.
P2*, the integrated value across the entire chamber is still higher.
3.2.3. Effects of PC throat diameter
The effect of Dthroat was also examined to further optimize the
NH3–H2 PCC mode. Three different Dthroat (6.4, 5.4, and 4.4 mm) were
used. The previous case with PCFR = 0.5% and the P0 piston was taken
as the baseline case. For cases with Dthroat values of 5.4 and 4.4 mm, the
nozzle included angle was enlarged to 160◦ to further minimize jet
flame-piston interaction. Fig. 24 shows the predicted ITE, combustion
loss, and NOx emissions, for all these configurations. Reducing the Dthroat
effectively contributes to a reduction in combustion loss. However, an
excessively large Dthroat leads to a slightly lower ITE but higher NOx
emissions. The highest ITE was achieved with Dthroat set at 5.4 mm and
12
Journal of Cleaner Production 436 (2024) 140622
Fig. 22. Predicted traces of P-AHRR, energy balance, NOx emissions, and traces
of Tavg and NOx mass.
ST at − 15◦ CA aTDC.
Fig. 25 compares the predicted P-AHRR traces, energy balance, NOx
emissions, and Tavg-NOx mass profiles for the three cases with varying
Dthroat values at ST = − 15◦ CA aTDC. The case with Dthroat = 6.4 mm
initiates the earliest combustion process within the PC. However, as the
combustion process progresses, its combustion phasing is surpassed by
the cases with Dthroat of 5.4 and 4.4 mm, as also shown by the predicted
CA5, CA50, and CA90 values in Fig. S14. The case with the smaller
Dthroat (4.4 mm) yields a higher peak P and AHRR, resulting in a more
advanced combustion phasing and a reduction in combustion loss, pri­
marily due to the higher combustion temperature. However, this in­
crease in combustion temperature also promotes wall HT loss and NOx
formation, resulting in a slightly lower ITE but higher NOx emissions for
X. Liu et al.
Fig. 23. Predicted distributions of λ, T, V, TKE, NO, OH, and isosurface of T.
Fig. 24. Predicted ITE, combustion loss, and NOx emissions for various
PCC cases.
the case with Dthroat = 6.4 mm compared to the case with Dthroat = 5.4
mm.
Fig. 26 shows more details of the mixing, combustion, and NO for­
mation processes, shedding light on how throat design influences these
phenomena. Note that throat design played a pivotal role in shaping
both the mixing formation and the jet flame-issuing processes. In
particular, the case with the largest throat (Dthroat = 6.4 mm) induces the
most pronounced jet flame quenching. Furthermore, owing to the
smaller pressure differential between the PC and MC (Fig. 25), the jet
velocity and TKE are comparatively lower in this case than in the other
two cases with larger throat diameters. Consequently, this case experi­
ences less flame-wall interaction, leading to reduced wall HT loss. Note
that at − 5◦ CA aTDC, the case with Dthroat = 5.4 mm shows even faster-
13
Journal of Cleaner Production 436 (2024) 140622
Fig. 25. Predicted traces of P-AHRR, energy balance, NOx emissions, and traces
of Tavg and NOx mass.
reacting jets and a higher combustion temperature than the case with
Dthroat = 4.4 mm. This is primarily due to the richer mixture distribution
within the PC before ST. However, as the combustion process continues,
the latter case (Dthroat = 4.4 mm) soon catches up and generates a higher
combustion temperature, and subsequently produces more NO.
3.3. Comparison of the PCC and DF− CI modes
Two optimized cases operating in the PCC and DF− CI modes were
selected for comparative analysis. The details of these two cases are
summarized in Table 4, and the results are presented in Fig. 27. Detailed
quantitative comparison was further conducted and shown in Table 5.
Overall, these two cases exhibit similar features in terms of combustion
X. Liu et al. Journal of Cleaner Production 436 (2024) 140622

Fig. 26. Predicted distributions of λ, T, V, TKE, NO, and isosurface of T.

emissions, offers higher engine efficiency, reduces NOx emissions, and

Table 4
requires a significantly smaller pilot energy fraction. Considering the
Details of two representative cases.
findings of this study, it is concluded that the PCC method shows sub­
Parameters PCC DF− CI stantial promise as a more competitive and environmentally friendly
φa 0.88 0.66 solution for future ammonia engines.
AEF [%] 99.5 80
SR 0 1.5
4. Conclusions
Piston type P0 P1
Throat diameter [mm] 5.4 ~
ST [◦ CA aTDC] − 15 ~ This study conducted a comprehensive exploration of two ammonia
DI SOI timing [◦ CA aTDC] ~ − 30 engine combustion modes for heavy-duty applications, namely
DI Pinj [bar] ~ 1000 ammonia-hydrogen turbulent jet ignition (PCC) and ammonia-diesel
Nozzle diameter [mm] 1.42 0.13
dual-fuel compression ignition (DF− CI). CFD simulations were per­
Nozzle included angle [◦ ] 160 140
formed and extensive efforts were dedicated to optimizing the engine
design for achieving peak performance. A comparative analysis was
heat release and pressure characteristics. Due to a significant portion of undertaken to identify the most efficient and clean operating mode. The
diesel enrichment (20%) in the DF− CI case, it displays slightly more key findings are summarized as follows:
advanced combustion phasing and peak pressure compared to the PCC
case, resulting in lower exhaust loss. However, they both yield a simi­ (1) The ammonia-hydrogen PCC mode exhibited the potential to
larly high ITE eventually, primarily because the wall HT loss is reduced achieve slightly higher ITE (by 0.1%) compared to the ammonia-
in the PCC case, since the flame is mostly confined within the piston diesel DF− CI mode. However, significantly higher NOx emissions
bowl, attenuating the strong jet flame interaction with the liner. (by 8.1 g/kW-h) were obtained in the DF− CI mode, resulting
Furthermore, owing to the higher combustion temperature induced by
the dual-fuel combustion, NOx emissions in the DF− CI case are 9 g/kW-h
higher than in the PCC case. Additionally, the intense premixed heat Table 5
release of the diesel-NH3 mixture in the DF− CI case results in higher Summary of the major engine metrics.
Pmax and MPRR. Note that since no hydrocarbon fuel is presented in the Parameters DF− CI PCC Rel. diff
PCC case, no CO2 emissions are generated, which underscores one of the
ITE [%] 50.3 50.4 +0.2%
environmentally advantageous aspects of this mode. Even considering Pmax [bar] 13.4 12.4 − 7.6%
the global warming effect of N2O emissions (300 times the CO2), the net MPRR [bar/deg] 10.1 6.5 − 36%
reduction in GHG emissions in the PCC mode is still 94.4% lower than in GHG emissions [g/kW-h] 101 5.7 − 94.4%
NH3 emissions [g/kW-h] 0.28 0.44
the DF− CI mode. +56.5%
NOx emissions [g/kW-h] 22.0 13.8 − 37%
In summary, the NH3–H2 PCC method exhibits several distinct ad­ N2O emissions [mg/kW-h] 16.6 18.9 +13.8%
vantages over the NH3-diesel DF− CI method: it generates no CO2

Fig. 27. Predicted traces of P-AHRR and T-NOx as well as the major engine metrics for the representative PCC and DF− CI cases.

14
X. Liu et al.
from the intense dual-fuel combustion heat release process,
leading to the higher combustion temperature and more NO
formation. Notably, the PCC mode generated no CO2 emissions,
marking a crucial step toward the stringent carbon-neutral target
in future transportation.
(2) In the DF− CI mode, over-large and small spray angles led to
lower ITE, primarily because of the increased combustion heat
release within the squish region. This slowed down the combus­
tion of the bulk ammonia-air mixture in the central piston.
Additionally, increased injection pressure and swirl ratio effec­
tively enhanced pilot fuel-air mixing and advanced combustion
phasing, resulting in lower combustion losses and higher ITE.
Moreover, the reduction in nozzle diameter further improved fuel
economy and reduced combustion losses due to an enhanced
mixing process and advanced combustion phasing.
(3) Piston shape played a significant role in both the DF− CI and PCC
modes. In the DF− CI mode, the flat piston yielded the highest ITE
because of the generation of multiple ignition spots and reduced
flow resistance from the piston bowl. In the PCC mode, the
ω-piston generated the highest ITE due to the delayed jet flame-
piston interaction, advancing the combustion phasing.
(4) In the ammonia-hydrogen PCC mode, an increase in the hydrogen
energy fraction facilitated jet flame formation, advancing com­
bustion phasing, although it also contributed to increased wall
HT losses, resulting in a decrease in ITE. Furthermore, a slightly
narrower throat design yielded the highest ITE compared to the
baseline case, due to a faster jet ejection process that advanced
combustion phasing and reduced exhaust losses.
(5) In summary, the ammonia-hydrogen PCC mode exhibited
competitive fuel economy and outperformed the ammonia-diesel
DF− CI mode in terms of NOx and CO2 emissions. However, note
that this conclusion is derived in the context of premixed
ammonia combustion. Moreover, since this study primarily
focused on intermediate engine load (IMEP = 10 bar), addressing
the challenges of extending operations to low- and high-load
conditions needs further investigation. Needless to say, further
optimization of engine design and control parameters remains
crucial for the successful implementation of the ammonia-
hydrogen PCC mode.
CRediT authorship contribution statement
Xinlei Liu: Conceptualization, Data curation, Formal analysis,
Investigation, Methodology, Software, Validation, Visualization,
Writing – original draft. Qinglong Tang: Funding acquisition, Investi­
gation, Project administration, Writing – review & editing. Hong G. Im:
Funding acquisition, Investigation, Project administration, Resources,
Supervision, Writing – review & editing.
Declaration of competing interest
The authors declare that they have no known competing financial
interests or personal relationships that could have appeared to influence
the work reported in this paper.
Data availability
Data will be made available on request.
Acknowledgments
The authors thank the support from King Abdullah University of
Science and Technology. Dr. Qinglong Tang is funded by the National
Natural Science Foundation of China (NSFC) through its project
52206166. Computational simulations utilized the clusters of the
KAUST Supercomputing Laboratory. The authors thank Convergent
15
Journal of Cleaner Production 436 (2024) 140622
Science Inc. for providing the CONVERGE license.
Appendix A. Supplementary data
Supplementary data to this article can be found online at https://doi.
org/10.1016/j.jclepro.2024.140622.
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