Fuel 357 (2024) 129799

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Full Length Article

Experimental and simulation study of methanol/coal-to-liquid (CTL)

reactivity and combustion characteristics of diesel engines in RCCI mode
Jialong Zhu a, Zhong Wang a, *, Ruina Li a, Shuai Liu a, Mingdi Li b
a
School of Automotive and Traffic Engineering, Jiangsu Univ., Xuefu Rd. 301, Zhenjiang 212013, China
b
School of Automotive Engineering, Changshu Institute of Technology, Hushan Rd. 99, Suzhou 215500, China

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

Keywords: An experimental and simulation study of the RCCI combustion mode of coal-based fuels (methanol prepared from
RCCI coke oven gas/coal-to-liquid, Methanol/CTL)) was carried out on a modified dual-fuel compression ignition (CI)
Coal-to-liquid engine. The mechanism by which Methanol/CTL, which has a significant difference in reactivity, promotes
Load recovery ratio (LRR)
engine combustion and thermal efficiency is revealed. The results show that with the increasing load (i.e., load
Reactivity
recovery ratio (LRR)) supplied by methanol, the reactivity gradient inside the cylinder increased from 28% to
Diffusion combustion
451%, and the area of the ignition region was rapidly enlarged, and the reactivity of the ignition region
increased. The HC and CO emissions increase by 1350% and 6866%, while the soot and NOX are reduced by a
maximum of 25% and 15%. The reactivity of the ignition region increased by 8% to 26 %. Diffusion combustion
forms a strong linear correlation with reactivity, with a maximum reduction of about 30 times in the premixed-
to-diffusion combustion ratio. Concentration of the exothermic centre towards the top-dead-centre (TDC) is
increased by a maximum of 18%, with an increase in the coefficient of variability (COV) by a maximum of 90%,
indicative thermal efficiency (ITE) by a maximum of 22% and brake thermal efficiency (BTE) by a maximum of
17%. The LRR does not exceed 50% while the engine maintains stable operation and 30% while maintaining
power and fuel economy.

1. Introduction
In order to meet the stringent emission regulations issued by various
countries, internal combustion engines (ICE) are gradually moving to­
wards efficient and clean combustion technologies. Compared to spark
ignition (SI) engines, compression ignition (CI) engines offer higher ef­
ficiency and fuel economy. Although CO and HC emissions are lower,
higher combustion temperatures [1] and equivalent ratios [2]
contribute to higher NOX and PM emissions and become a significant
challenge for CIs. The use of alternative fuels [3], the application of
advanced combustion concepts [4] and exhaust gas aftertreatment sys­
tems [5] are consistently recognized solutions for controlling pollutant
emissions.
Coal-to-liquids (CTL) synthesized via the Fischer-Tropsch (FT) pro­
cess is a potential alternative fuel to diesel due to its high cetane number
(CN) and low aromatic number [6–8]. Good adaptability has been re­
ported, e.g. low heating value (LHV), CTL can be effectively matched to
the original CI system [9]. CTL is burned on CI platforms with a lower
coefficient of variation (COV) and PM emissions [8] and reduced fuel
consumption [10] while maintaining the indicated thermal efficiency
(ITE). Better ignition further enhances the combustion efficiency of CI.
Based on this research, a technology portfolio of CTL adapted to
advanced combustion concepts is of interest.
Compared to conventional diesel combustion (CDC), low tempera­
ture combustion technologies (LTC), namely homogeneous charge
compression ignition (HCCI) [11], premixed charge compression igni­
tion (PCCI) [12] and reactivity-controlled compression ignition (RCCI)
[13], circumvent areas of high NOX and PM generation by regulating the
equivalence ratio and combustion temperature [14]. In RCCI mode, low
reactivity fuel (LRF) is fed to the cylinder through the intake tract to
form a premixed charge; high reactivity fuel (HRF) is injected into the
cylinder at high pressure to ignite the LRF-air mixture [15]. RCCI mode
allows a good balance between the power performance and significantly
lower emission levels of ICEs.
Expanding the difference in reactivity between LRF and HRF is
beneficial in enhancing the loading range of the RCCI mode [16].

* Corresponding author.
E-mail addresses: jialongzhu@outlook.com (J. Zhu), wangzhong@ujs.edu.cn (Z. Wang), liruina@ujs.edu.cn (R. Li), lstcls@ujs.edu.cn (S. Liu), lmd-fj@163.com
(M. Li).

https://doi.org/10.1016/j.fuel.2023.129799
Received 19 June 2023; Received in revised form 29 August 2023; Accepted 10 September 2023
Available online 14 September 2023
0016-2361/© 2023 Elsevier Ltd. All rights reserved.
J. Zhu et al. Fuel 357 (2024) 129799

Splitter et al. [17] carried out tests on a heavy-duty single-cylinder diesel
engine. RCCI patterns of E85 (blending alcohols in petrol to reduce the
reactivity, LRF, injection pressure 4 bar)/diesel (HRF, injection pressure
800 bar) and petrol (LRF)/diesel (HRF) were tested. The results showed
that the larger reactivity difference improved the thermal efficiency. On
the same diesel platform, Hanson et al. [18] blended gasoline and 3.5%
2-EHN (cetane improver) to form a more reactive fuel as HRF with
gasoline (LRF) to form an RCCI combustion pattern. The combustion
characteristics of gasoline (LRF, 5 bar)/diesel (HRF, 400 bar) and gas­
oline (LRF)/gasoline + 3.5% 2-EHN (HRF) were comparatively ana­
lysed. The results showed that increasing the reactivity of HRF
accelerated the high-temperature heat release (HTHR). On this basis,
Wang et al. [19] systematically compared and analysed the specificity of
gasoline (LRF, 1.5 bar)/diesel (HRF, 600 bar), iso-butanol (LRF)/diesel
(HRF) and iso-butanol/iso-butanol + DTPB in RCCI mode. The results
showed that more cetane improver was required to maintain a larger
reaction gradient due to the lower CN of iso-butanol. Tong et al. [20]
tested the combustion characteristics of petrol (LRF, 1.8–2.2 bar)/diesel
(HRF, 800 bar) and petrol (LRF)/PODE (HRF) on a heavy-duty six-cyl­
inder diesel engine. The results show that PODE with higher CN as HRF
improves the thermal efficiency of the engine compared to diesel in
RCCI mode. The combustion characteristics of methanol/CTL in RCCI
mode with greater differences in reactivity have been reported less
frequently, and this is a case of combined combustion with the potential
to improve thermal efficiency further.
The combustion characteristics of CTL with higher CN were reported
as HRF in RCCI mode. The relevant literature studies are shown in
Table 1. Based on open literature, diesel engines burn CTL with little
impact on power. As CA50 nears top-dead-centre (TDC), CTL raises
brake thermal efficiency (BTE) and decreases brake specific fuel con­
sumption (BSFC). As engine load rises and heat loss drops, BTE further
(HRR), and ignition delay (ID), and longer combustion duration (CD).
CTL also reduces emissions, including CO, HC, NOX, and Soot, though
some literature reports an increase in PM emissions. Zhang et al. [21]
tested the RCCI combustion characteristics of petrol (LRF, 3.5 bar)/CTL
(HRF) and petrol (LRF)/diesel (HRF) on a four-cylinder common rail CI
engine. The test results showed that petrol/CTL improved ITE (+2%)
and low peak pressure rise rate (PPRR) was reduced by about 46%
compared to petrol/diesel mode. Further, they tested N-butanol/CTL
with a tremendous reactivity difference [22]. The results showed that N-
butanol as LRF improved the homogeneity of the gas mixture and
contributed to a higher premixing and combustion ratio, shorter com­
bustion times and larger combustion volumes. Optical images of N-
butanol and CTL combustion processes with different LHVs (2:8, 3:7,
4:6) were analysed on an optical engine test rig. Zhang et al. [23]
concluded that the CTL controlled the combustion starting point. N-
butanol effectively reduced the combustion temperature, forming a
flame core at the cylinder wall surface and centre.
Methanol has a much lower CN and, as an LRF, forms a more sig­
nificant difference in reactivity with CTL, which offers tremendous po­
tential to increase the loading range of the RCCI model [29]. The
literature study of methanol in RCCI combustion mode is shown in
Table 2. Chen et al. [30] modified a four-cylinder common rail diesel
engine with methanol injectors and tested the combustion characteris­
tics for different methanol substitution rates (MSR, LHV share 0, 10, 20,
30%). The results show that as the MSR increases, the ignition delay (ID)
shortens, the heat release rate (HRR), the maximum pressure rise rate
Table 2
Literature study of methanol in RCCI model.
Refs. Theme Content

increases. CTL leads to lower pressure rise rate (PRR), heat release rate Huang et al. Fuel characteristics High convenience and safety in
[31] transport, storage and use of methanol.
Altun et al. Integrated Methanol in conventional diesel
[32,33] application combustion (CDC) and advanced
Table 1 combustion modes
Study on CTL fuel. Panda and RCCI model for An experimental study was carried out
Ramesh.[34] methanol and diesel on a single cylinder water cooled
Refs. Content
naturally aspirated diesel engine with
Hürpekli and Necati Combustion and emission levels were measured on a methanol as LRF and diesel as HRF. The
Özsezen[24] single-cylinder common rail diesel engine fuelled with RCCI mode with methanol and diesel
CTL. The results showed that CTL led to a reduction in yielded higher thermal efficiency and
engine performance of about 4 per cent, improved lower NO emission compared to CDC
combustion stability, shortened ID, and reduced CO2 and mode.
NOX emission levels. Jia and RCCI model for An experimental study comparing port
Zhang et al.[25] The history of CTL development, typical processes and Denbratt. methanol and diesel injection in the intake manifold,
performance as an alternative fuel were reviewed. The [35] methanol injection in the cylinder (DI),
results show that CTL has better dynamics than diesel, and direct injection of diesel fuel in the
lower brake-specific fuel consumption (BSFC) and cylinder was carried out on a single-
significantly lower emissions. cylinder heavy-duty diesel engine. The
Kitano et al.[26] Power and fuel economy were measured on a four- injection pressure of methanol had less
cylinder light-duty diesel engine. The results showed that effect on the combustion process, but
CTL reduced rated power by 2–5% and rated torque by the methanol substitution ratio had a
4–7%, and BSFC increased slightly. greater effect on combustion. The
Jin et al.[10] Various performances were measured at small and thermal efficiency of DI was lower than
medium loads on a 6-cylinder heavy-duty diesel engine. that of port injection.
The results showed that CTL resulted in lower BSFC, lower Duraisamy RCCI model for An experimental study was carried out
pressure rise rate (PRR), heat release rate (HRR) and ID, et al.[36] methanol and PODE on a three-cylinder light-duty
and increased combustion duration (CD). turbocharged diesel engine with
Geng et al.[27] Engine performance was measured for different loads and methanol fed from the intake manifold
different injection timings. The results showed that CTL and direct in-cylinder injection of
resulted in a 0.5–1% increase in BTE, a decrease in BSFC, a PODE. The dual fuel RCCI combustion
decrease in the rate of pressure rise, exothermic rate and pattern consisting of methanol and
ID, and an increase in the duration of combustion. PODE was obtained to be higher than
Lapuerta et al.[28] The performance of the engine was measured at small and the methanol/diesel RCCI pattern as
medium load conditions. The results showed that the BTE well as the CDC pattern.
of the CTL was similar to diesel, with reduced ID, and Wang et al.[37] RCCI model for The load limits of the RCCI mode were
conventional emissions were all reduced by. methanol and PODE expanded on a four-cylinder water-
Sun et al.[9] The engine performance was tested at 1400 r/min, 60% cooled turbocharged diesel engine. The
load condition. The results show that CTL has reduced load expansion for methanol was 30 per
BSFC, reduced pressure rise rate, exothermic rate and ID, cent, and the IMEP was expanded to
increased combustion duration, reduced HC and NOX, and 1.08 MPa (about 40 per cent boost) at a
increased PM emissions. PODE injection of 59.5 mg/cyc.

2
J. Zhu et al. Fuel 357 (2024) 129799

(PRRmax) and the COV of the indicated mean effective pressure (COVI­ diesel fuel were used as baseline results to analyse the differences in
MEP) increase. More detailed reports on methanol/CTL in RCCI mode combustion characteristics between CTL and methanol/CTL burning in
need to be added. RCCI combustion mode. The physicochemical properties of the fuels are
A modified test rig system for a supercharged common rail dual fuel shown in Table 4.
injection diesel engine was built for this study. The combustion char­ CTL is a multi-component fuel and the main single component fuels
acteristics of diesel and CTL single-mode fuels and methanol/CTL dual (over 5%) are shown in Table 5. Tetradecane, Icosane and Heneicosane
fuels were measured experimentally. A CFD simulation model of the are the more significant single components.
coupled CTL simplified mechanism was developed. Examples of GT-
Power applications in simulation are shown in Table 3. The reactive
2.2. Engine bench test system
blending process of methanol and CTL in the cylinder, the effect of
reactivity on premixed/diffusive combustion and the energy balance in
This paper uses a four-cylinder inline, turbocharged, inter-cooled
the cylinder were analysed in the RCCI mode. The potential for
diesel engine with a modified intake system, a compression ratio of
balancing each methanol/CTL engine performance in the RCCI mode is
17.5 and a displacement of 3.216L. The main technical parameters are
explored.
shown in Table 6. Given the large percentage of methanol injection, two
From an engineering standpoint, further research on RCCI combus­
sets of methanol injectors were mounted at the intake manifold location,
tion modes should focus on practical applications, such as exploring the
and the test rig is shown in Fig. 1. The methanol injection control unit
RCCI combustion mode of methanol/PODE using pre-injection and main
(MICU) regulates the methanol injection timing and pulse width. The
injection strategies [37], as well as investigating the conversion strategy
Methanol Injection Control Unit (MICU) receives signals from the pump
from conventional diesel combustion mode to RCCI combustion mode
and calculates the maximum flow rate of methanol Qmax (kg/h). It cal­
for commercial vehicles [44]. This study examines the performance
culates the flow rate of methanol injection Qmethanol (kg/h) for the intake
pattern of methanol/CTL in RCCI combustion mode and clarifies the
manifold based on engine speed and test requirements. The MICU then
limiting range of the methanol-provided load ratio in engineering ap­
delivers the injection pulse width signals to the No. 1 and No. 2 meth­
plications, providing support for the application of methanol/CTL in CI
anol injectors. The MICU will judge and analyze Qmax and Qmethanol,
engine platforms with multiple-injection strategy support. Based on
maintaining the status quo ante if Qmax > Qmethanol, and increasing the
existing RCCI combustion theories, this study explores RCCI combustion
voltage at both ends of the methanol pumps, the rotational speed, and
mechanism for larger reactivity differences, analyzes reactivity recon­
the Qmax if Qmax ≤ Qmethanol. The methanol oil rail is equipped with a
ciliation process between methanol and CTL, proposes concepts of
return valve to ensure the safety of the methanol injection process and
apparent reactivity, apparent reactivity gradient, combustion gradient
the consistency of the methanol injection pressure. The pressure of the
and controlled combustion, and analyzes energy release patterns of
oil return valve is 4 bar. The injection timing and cyclic injection volume
methanol and CTL in the cylinder. Additionally, this study reveals the
of diesel or CTL is controlled by the ECU of the original engine. When
mechanism of reactivity effect on premixed diffusion combustion in
diesel and CTL are burned, the MICU is switched off, and methanol in­
RCCI mode.
jection is stopped. When the MICU is switched on, the low-activity
methanol forms a homogeneous methanol atmosphere in the cylinder,
2. Experimental equipment and method
creating an RCCI combustion pattern with the high-activity CTL. When
the MICU is switched on, it takes 10 min to reach a stable methanol/CTL
2.1. Test fuel
RCCI combustion mode. To minimise the effect of the residual methanol
atmosphere on the combustion of diesel, CTL and other LRR conditions,
In this paper, a total of three fuels were tested: diesel (China’s Stage
it was ensured that the engine was kept running for 20 min after
VI emission standard, commercially available 0# diesel), CTL (coal in­
switching off the MICU when the measurement conditions were
direct liquefaction process, Inner Mongolia Yitai Group Co., Ltd.) and
switched.
methanol (coke oven gas conversion process [45], China Henan Energy
An eddy current dynamometer (Xiangyi CAC250, China) regulates
Group Co., Ltd.). The performance parameters of the engine burning
the engine speed and load. The signal of the mean pressure in the cyl­
inder is measured by a pressure transducer (Kistler 6052C, Switzerland),
converted into a valid signal by a charge amplifier (Kistler 5011B10,
Table 3
Literature study on GT-POWER.
Switzerland) and sent to a combustion analyser. The diesel/CTL fuel
consumption is measured by a transient fuel consumption analyser (AVL
Refs. Content
735S, Austria), and the methanol fuel consumption is measured by a
Qu et al.[38] Calculation of engine performance, intake and exhaust steady state fuel consumption analyser (Bohao FCM-04, China). The
temperatures and mass flow rates using GT-Power simulation of
solid oxide fuel cell (SOFC) exhaust gases and air as intake
components for RCCI combustion mode engines. Table 4
He et al.[39] Simulating diesel engines and reflecting fuel consumption Physicochemical properties of fuels.
characteristics through GT-Power and optimising key control
Properties Diesel CTL Methanol ASTM
parameters for plug-in hybrid electric vehicles (PHEVs) using
Method
genetic algorithms.
Xi et al.[40] A one-dimensional performance model of a liquid methane engine Density (g/cm3 @20 ◦ C) 0.813 0.731 0.790 D4052
was developed by GT-Power to analyse the effect of intake and Surface tension (mN/m @20 ◦ C) 26.7 23.9 22.7 D7490-13
exhaust timing on the energy flow in the cylinder. Kinematic viscosity (mPa s 3.0 2.6 0.7 D445
Li et al.[41] Modelling an engine with an Atkinson cycle using GT-Power and @20 ◦ C)
optimising key parameters of the model using a non-dominated Boiling (oC @1atm) 180 ~ – 64.7 D6352-19
sequential genetic algorithm (NSGA) driven support vector 370
machine (SVM). Low heating value, LHV (MJ/kg) 42.6 42.9 19.6 D240
Guan et al. Use GT-Power to build a variable compression ratio engine model, Cetane number, CN (-) 51.5 74.7 3.1 D613
[42] construct a coupled simulation platform with Matlab through Ignition limit (vol%) 1.5～7.6 – 5.5～26 G125-2000
NSGA algorithms, develop an integrated platform for engine Carbon content (wt,%) 86.3 84.9 37.5 –
performance optimisation and validation. Hydrogen content (wt,%) 14.7 14.1 12.5 –
Cho and Song Hydrogen engine modelling by GT-Power, training and prediction Oxygen content (wt,%) – – 50 –
[43] of combustion processes in the cylinder using Artificial Neural Spontaneous combustion 250 – 450 D286-30
Networks (ANN). temperature (oC)

3
J. Zhu et al. Fuel 357 (2024) 129799

Table 5 study.
Molecular formulae, CAS numbers and percentages of the single component
comprise the CTL.
2.3. Test procedures
a
Component Molecular Formula CAS reg. no. Proportion (%)

Undecane C11H24 1120–21-4 7.79 Control of a stable test environment (pressure 102.4 ± 0.01 kPa,
Dodecane C12H26 112–40-3 8.51 temperature 18 ± 0.5 ◦ C, humidity 30 ± 1%). Stable engine perfor­
Tetradecane C14H30 629–59-4 24.45 mance is maintained through closed-loop regulation of coolant tem­
pentadecane C15H32 629–62-9 8.31
Icosane C20H42 112–95-8 24.88
perature (78 ± 1 ◦ C) and intake air temperature after intercooler (40 ±
Heneicosane C21H44 629–94-7 16.73 1 ◦ C). Depending on the actual engine operating conditions, the ECU
a controls the injection strategy and the pre-injection and main injection
Analysis method was gas chromatography.
moments are optimised. The internal and external EGR strategy is fixed
to keep the valve closed (EGR ratio of 0). Due to the small difference in
Table 6 kinematic viscosity between diesel and CTL, the in-cylinder injection
Main technical parameters of the engine. system requires no special modifications. The LHVs of the two fuels is
close enough that burning CTL can restore the power of the original
Parameter Technical specifications
engine. Therefore, in order to ensure that the in-cylinder pressure and
Bore × Stroke (mm × mm) 95 × 115 PRR of the engine was within safe limits in the RCCI combustion mode,
Compression ratio (-) 17.5
the test set was set to 240 N m for 100% load (the baseline IMEP result
Combustion chamber (-) Direct injection ω type
Oil injection systems (-) High Pressure Common Rail was 1.09 MPa, approximately 88% of the maximum load of the original
In-cylinder injectors (-) 8 holes evenly arranged, oil injection pressure 150 engine), and 180 N m for 75% load, 120 N m for 50% load and 60 N m
MPa
Injectors for the intake system 4 holes evenly arranged, oil injection pressure 0.4
(-) MPa
Table 7
Power rating (kW) 70 @2400r/min Technical specifications of the measuring system.
Maximum torque (N m) 270 @1800r/min Instrument Parameter Range Accuracy/
uncertainty

technical specifications of the measurement system are shown in Eddy current dynamometer Speed (r/min) 0~ 0.05% / -
5,000
Table 7. A residual coefficient R is used to judge the number of reliable Torque (N m) 0~ 0.1% / -
cycles [26–28]. 1,000
Pressure sensors Pressure (bar) 0 ~ 250 − 20pC/bar / 0.5%
ΔCOV p
R= • 100% (1) Transient fuel consumption Diesel/CTL 0 ~ 50 0.12% / 0.5%
COV p− effective meter (kg/h)
Steady state fuel consumption Methanol (kg/ 0 ~ 40 0.5% / 0.5
where pi is the parameter obtained from experimental measurements, meter h)
such as cylinder pressure, etc. Smoke meter Soot (FSN) 0 ~ 10 0.002 / 0.5
Gas Emission Analyser CO (ppm) 0~ 1 / 1.3
After the engine’s operating condition was adjusted and stabilised, 2000
the residual coefficient R was calculated for the number of cycles n = HC (ppm) 0~ 2 / 1.4
100. R was in the range of 1.3% to 3.2%, and the IMEP converged well. 5000
To facilitate the comparative analysis of engine stability, the effective NOX (ppm) 0~ 2 / 1.6
5000
number of cycles for cyclic variations was determined to be 100 in this

Fig. 1. Schematic diagram of the engine bench test system.

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J. Zhu et al. Fuel 357 (2024) 129799

for 25% load respectively (IMEP: 0.92 MPa, 0.72 MPa and 0.49 MPa). knocking behaviour of the engine [14,58–62].
The engine operating conditions and fuel injection procedures are ( ( ) )2
shown in Table 8. In the RCCI mode, the CTL cycle injection is adjusted 1
RI ≈ • β •
dP
/Pmax • (γRTmax )1/2 (4)
downwards to achieve the preset load. The injection of methanol in­ 2γ dt max
creases the engine’s output torque, allowing the output torque to return
γ is the specific heat ratio, and its value varies with the thermodynamic
to the preset load, defined as the Load Recovery Ratio (LRR).
temperature. For example, when burning diesel, the average value of γ is
LRR = 100% •
Ls − LCTL
(1) 1.32 for cylinder temperatures between 600 and 1400 K. For the RCCI
Ls combustion mode, the temperature is 625 to 1500 K (100% load), 620 to
1370 K (75% load), 620 to 1250 K (50% load) and 620 to 1050 K (25%
where Ls is the preset output load, N m, and LCTL is the output load of the load), γ is 1.319, 1.321, 1.323 and 1.330 respectively. β is the scale
in-cylinder injection CTL, N m. factor for the amplitude of the measured pressure oscillations relative to
( )
the PRRmax. In this work, the β ranges from 0.028 to 0.152. dP dt max is
obtained by differential calculation based on the cylinder pressure curve
2.4. Data processing
and the corresponding sampling time, (kPa/msec). Pmax is the maximum
value of pressure in the corresponding duty cycle, (kPa). The formulae
The engine cylinder’s apparent heat release rate (AHRR) is calcu­
are embedded in the combustion analyser and the results can be read
lated from a thermodynamic single-zone model [46,47].
( ) ( ) [ directly. R is the ideal gas constant and is 8.314. Tmax needs to be
dQ 1 dp γ dV ( calculated based on the cylinder pressure, the instantaneous cylinder
= V + p + h
dθ γ− 1 dθ γ − 1 dθ working volume, the instantaneous amount of substance of the work
( ) ] ( )
) γ pV dm γ p dM mass in the cylinder, the percentage of fuel combustion, the excess air
− hf − − (2) coefficient, the residual exhaust gas coefficient, the circulating injection
γ − 1 m dθ γ − 1 M dθ
of the fuel, and the low calorific value of the fuel, based on Equation (2),
where the data source for in-cylinder pressure is the average of 100 (K).
consecutive cycles. Specific heat ratio γ, enthalpy h and molar mass M Brake thermal efficiency (BTE) is used to assess the fuel economy of
are provided by NASA polynomials and online updating gas volume the engine.
fractions. hf is the sensible enthalpy. The completed combustion gas is
BTE = 100% • 3.6 • P/(BHRF • LHV HRF + BLRF • LHV LRF ) (5)
defined as the product of the complete combustion of fuel and air, and
the mass fraction of the spent gas is the ratio of the cumulative heat where P is the output power of the engine (kW), BHRF and BLRF are the
release to the total energy of the fuel. The excess air coefficient is derived fuel consumption rates (kg/h) of HRF (diesel or CTL in this paper) and
from experimental measurements, and the residual exhaust gas coeffi­ LRF (methanol in this paper) respectively, and LHV HRF and LHV LRF are
cient and average gas temperature are calculated from empirical equa­ the low heating values (MJ/kg) of HRF and LRF respectively.
tions [48]. Due to factors such as different engine models, operating conditions
The cumulative heat release calculates the combustion characteris­ and pollutant units, the indexes of each pollutant could not be unified,
tics of the engine. The corresponding crankshaft angles for releasing 5%, and the authors normalised the four pollutants [63].
50%, and 90% of the accumulated heat release are CA5, CA50 and CA90.
[ g ] 0.0102 • FSN • e0.3062•FSN • ( m + m )
The angle difference in the crankshaft experienced from the moment of
(6)
air fuel
Soot =
direct in-cylinder fuel injection to the end of CA5 is defined as the ID. kW • h Pe
The difference in angles experienced by the crankshaft from the start of ( )
[ g ] 0.966 • CO • mair + mfuel
CA5 to the end of CA90 is defined as the duration of combustion (CD)
CO = (7)
[49]. kW • h 1000 • Pe
In the RCCI combustion mode, methanol (LRF) may form an unstable ( )
[ g ] 0.479 • HC • mair + mfuel
combustion process in the cylinder, which has a non-negligible effect on HC = (8)
the engine’s operating condition. The COV of the IMEP is used to assess kW • h 1000 • Pe
the combustion stability of the engine [50–56]. ( )
[ g ] 1.587 • NO • mair + mfuel
⎡( )1/2 ⎤ NO = (9)
1 ∑n kW • h 1000 • Pe
COV IMEP = ⎣ (IMEPi − IMEP) 2
/IMEP ⎦ • 100% (3)
n − 1 i=1
where FSN is the value measured by the smoke meter, FSN. CO, HC and
The measurement period n for cyclic variability was determined to NO are the values measured by the gas emission meter, ppm, respec­
be 100, which proved reasonable within the diesel engine’s measure­ tively. mair is the air flow rate measured by the engine stand, kg/h. mfuel
ment range [50,57]. Ringing Intensity (RI) has been used to assess the is the fuel consumption of the fuel injected into the engine, kg/h. Pe is

Table 8
Engine operating conditions.
Operating condition Diesel CTL Methanol/CTL

LRR (%) - - 10 30 50
Speed(r/min) 1800 1800 1800 1800 1800
Torque (N.m) 60, 120, 180, 240 60, 120, 180, 240 60, 120, 180, 240 60, 120, 180, 240 60, 120, 180, 240
Intake pressure (kPa) 29,44,60,70 29,44,60,70 29,44,60,70 29,44,60,70 29,44,60,70
Diesel/CTL injection pressure (MPa) 150 150 150 150 150
Methanol injection pressure (MPa) 0.4 0.4 0.4 0.4 0.4
Diesel mass (mg/cycle) 16.2,26.6,36.2,44.1 – – – –
CTL mass (mg/cycle) – 15.6,23.9,32.5,42.3 14.9,23.3,33.8,41.7 9.3,19.0,24.2,34.0 4.6,13.9,19.3,24.4
Methanol mass (mg/cycle) – – 6.9,7.4,7.9,6.1 13.9,16.2,21.9,20.0 24.3,32.0,36.8,29.3
SOImain (oCA ATDC) − 9 − 9 − 9 − 9 − 9
SOIpilot (oCA ATDC) –22 –22 –22 –22 –22

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J. Zhu et al. Fuel 357 (2024) 129799

the output power of the engine, kW. Table 10

Uncertainty in parameters.

2.5. Uncertainty analysis Instrumentation Uncertainties (%)

Cylinder pressure (MPa) 1.1

The Root Mean Square (RMS) method was used to calculate the Fuel consumption of diesel/CTL (mg/cycle) 1.1
uncertainty. Fuel consumption of methanol (mg/cycle) 1.1
CO (ppm) 1.3
[ ]12 HC (ppm) 1.4
1( 2 )
URMS = U + UR2 (10) NOX (ppm) 1.6
2 S Soot (FSN) 1.1

where US and UR are systematic uncertainty and stochastic uncertainty,

respectively. The uncertainties of the test equipment are shown in
Table 11
Table 9.
Mesh parameters of the model.
The random uncertainty of the engine test rig used in this study was
Parameter Value
kept within 1.5% based on several repetitive tests. As a result, the un­
certainties of the parameters, such as cylinder pressure in the test, are Base grid size (mm) 2a
shown in Table 10. Number of base grids (-) 99,872
Adaptive grid encryption Velocity (cylinder level 3, intake system level 3),
levels temperature (cylinder level 3), species (intake
3. Numerical simulation system level 3)
Fixed number of embedded Cylinder level 2, intake valve level 3, exhaust valve
3.1. Model building grid encryption levels level 2, spray level 3
a
The relative error in cylinder pressure is 2.3% according to the grid-
Based on the need to analyse the performance of methanol injection independent validation method [57].
in the intake tract, a sub-model of the cylinder containing the intake and
exhaust functions was built by CONVERGE software. The structural and
operational parameters of the engine were derived from experimental Table 12
measurements, as shown in Tables 3 and 5. The model mesh setup Boundary parameters for intake and exhaust systems.
considered a balance between computational accuracy and computa­ Category Subcategory State (steady state/ Data
tional cost, as shown in Table 11. The turbulence model is RNG k-ε, the transient) sources

diffusion model is O’Rourke, the droplet fragmentation model is KH-RT, Intake Intake channel wall Stationary Experiment
and the droplet wall touch model is Wall Film. The combustion model is system temperature
Upper intake valve Transient GT-Power
the SAGE reaction mechanism model.
temperature
In the setting of the boundary conditions, the mean temperatures of Intake valve bottom Transient GT-Power
the cylinder head (524 K), cylinder wall surface (436 K) and piston (556 temperature
K) were measured. A one-dimensional model was built in GT-Power Intake temperature Transient GT-Power
based on the actual physical dimensions of the engine stand. The main Intake pressure Transient GT-Power
Exhaust Exhaust duct wall Stationary Experiment
parameters of the engine were matched, such as fuel characteristics,
system temperature
turbine Map, injection Map, temperature and pressure conditions of Upper exhaust valve Transient GT-Power
each sub-system. The boundary parameters of the intake system and temperature
exhaust system in the CONVERGE model were obtained from the results Exhaust valve bottom Transient GT-Power
temperature
of the one-dimensional analysis of the GT-Power software and experi­
Exhaust temperature Transient GT-Power
mental measurements, as shown in Table 12. Exhaust pressure Transient GT-Power
The simulated initial state parameters were analysed and measured
for a 100% loaded diesel fuel burning condition, as shown in Fig. 2.
generation during actual diesel combustion. The study did not investi­
gate the prediction of emission pollutant generation, so this limitation
3.2. Reaction mechanisms
had little impact on the content of the study. The methanol mechanism
[65] predicted oxidizing species and flame speeds at 300–2200 K and
The diesel mechanism developed by Golovitchev et al. [64] and the
1–20 bar. Their mechanism is limited at higher pressures where form­
methanol mechanism carried out by Li et al. [65] were used in the
aldehyde prediction varies due to sensitive rate constants. Nonetheless,
combustion model. The diesel mechanism [64] accurately predicted the
it’s still the most accurate methanol mechanism with a broader range of
concentration change process of pyrolysis components at 800–1400 K
applicability. Based on the similarity of the mass ratio values of C/H and
and 1–50 bar. However, the use of n-heptane as a substitute for diesel
CNs, as shown in Table 13, n-dodecane and iso-octanol were chosen to
fuel does not provide a better description of the process of carbon soot
characterise CTL in the paper.
The detailed mechanisms for n-dodecane and isooctane were ob­
Table 9
tained from Mao et al. [66] and Lawrence Laboratories [67]. The skel­
Uncertainty of test equipment.
etal mechanism of the two-component characterisation fuel for CTL
Instrumentation Uncertainties (%) consists of an n-dodecane skeletal mechanism coupled to an isooctane
Eddy current dynamometer Speed – sub-mechanism. According to the decoupling method, the detailed
Torque – mechanisms of n-dodecane and iso-octane were simplified with the help
Pressure sensors 0.5 of the WORKBENCH analysis module of the CHEMKIN software. The
Transient fuel consumption meter 0.5
Steady state fuel consumption meter 0.5
simplified procedure was chosen to cross-simplify the Mao mechanism
Exhaust gas analyzer CO 1.2 and the Lawrence Laboratory mechanism several times by the directed
HC 1.4 relation graph (DRG), directed relation graph with error propagation
NOX 1.8 (DRGEP) and directed relation graph with path flux analysis (DRGPFA).
Smoke meter 0.5
Methods such as DGR, including sensitivity analysis (DRG + sensitivity,

6
J. Zhu et al. Fuel 357 (2024) 129799

Fig. 2. Boundary and initial conditions of the model (with 100% load, diesel).

[69], changes in species concentration at different temperatures were

Table 13
measured, as shown in Table 15.
Characterization fuels for CTL.
The IDs for n-dodecane and iso-octane were calculated separately
Parameter CTL N-dodecane (91%) + iso-octane (9%) and are shown in Fig. 3. The ID for the n-dodecane mechanism is close to
N-alkanes (mol, %) 90.67 91 the experimental data at φ ≈ 1 and slightly lower than the experimental
Iso-alkanes (mol, %) 9.33 9 data at φ ≈ 0.5. The accuracy of the n-dodecane mechanism is accept­
C/H mass ratio (-) 5.20 5.21
a able, considering that there is a 10% temperature uncertainty in the data
CN (-) Approx. 74.9 Approx. 74.6
from Vasu et al. [70]. The ID trend for the iso-octane mechanism is
a
Measurement standard D613. consistent with the data of Shen et al. [71]. It is slightly higher than the
experimental value, which is related to the low-temperature response
DRGEP + sensitivity, DRGPFA + sensitivity) and full species sensitivity sensitivity factor of HO2.
analysis (FSSA), are imposed on the deep simplification process. The The laminar flame velocity for n-dodecane and iso-octane tends to
operating conditions for the mechanical simplification were determined increase and decrease as the equivalence ratio increases, with the
according to the actual engine operating conditions, as shown in extreme value occurring when the equivalence ratio is 1.1. The laminar
Table 14. flame velocity for the n-dodecane mechanism is slightly less than the
The mechanisms for n-dodecane and iso-octane were simplified experimental value [72], and the iso-octane mechanism is more pre­
separately (n-dodecane: 737 species, 3629 reaction steps → 234 species, dictable [73]. The reaction rate of the small molecules C1-C3 has a more
1379 reaction steps; isooctane: 874 species, 3796 reaction steps → 134 significant effect on the laminar flame velocity and can be adjusted for
species, 684 reaction steps). The mechanism of the coupled CTL- the predictive accuracy of the combined mechanisms.
characterised fuel contains 311 species and 1728 reaction steps. The reaction sensitivity coefficients and reaction rates were opti­
mised, and n-dodecane and isooctane coupling mechanisms were ana­
lysed. Based on product tracking analysis techniques for low-
3.3. Mechanistic validation temperature reactions, the rates of production and decomposition of
the main species of the coupled mechanism are similar to the experi­
To verify the ignition performance of the mechanism, the ID for mental results. The IDs of the mechanism have a small relative error to
homogeneous constant volume adiabatic conditions was calculated the experimental results in a simulated diesel engine environment with
based on the Closed Homogeneous Batch Reactor reactor in CHEMKIN an acceptable margin of error.
software. The accuracy of the combustion characteristics was the focus
of the mechanism validation work, and the laminar flame propagation
velocity was calculated. Changes in the concentration of species are 3.4. Model validation
more critical to the kinetic mechanism of chemical reactions [68], and
based on synchrotron radiation vacuum UV ionisation mass spectrom­ The simulation model based on the diesel engine’s technical
etry combined with ultrasonic molecular beam sampling techniques
Table 15
Table 14 Baseline results and models for mechanistic validation.
Mechanism simplification procedures, working conditions and target products.
Validation Baseline results Models
Reduction Parameter Objectives
method
Ignition delay Vasu et al.[70], Shen Closed Homogeneous Batch
Operations DRG, DRGEP, DRGPFA, DRG + sens, DRGEP + sens, DRGPFA + et al.[71] Reactor
sens, FSSA Laminar flow Kumar et al.[72], Rau Premixed Laminar Flame-speed
Conditions Equivalence ratio(-)0.5 → 1.5(+0.5 INCR), Pressure(atm)10 → flame et al.[73] Calculation
100(+30 INCR), Temperature(K)800 → 2,400(+100 INCR) Species Low temperature Jet Stirring Reactor
Targets H2, CH2O, CH4, CO, C2, C3, C4, ID concentration oxidation test

7
J. Zhu et al. Fuel 357 (2024) 129799

Fig. 3. Mechanistic validation and optimization.

8
J. Zhu et al.
parameters, operating parameters and boundary conditions underwent a
cycle without considering the cycle variation. According to Fig. 4, the
model calculations have a maximum 5% relative error compared to
experimental measurements for cylinder pressure and heat release rate.
Pmax errors range from 0.3% to 1.8% and HRRmax errors range from
2.4% to 5.5%. This indicates that the diesel engine’s actual operating
process is better reflected by the model.
4. Results and discussions
4.1. Pressure and combustion stages
The curves of in-cylinder pressure and apparent heat release rate
(AHRR) for different fuels are given in Fig. 5. Due to the pre-injection
and main injection strategies, all operating conditions show multiple
stages of exotherm. Compared to diesel, the first stage of the exothermic
process is advanced due to the high CN of CTL. Comparing the AHRR
curves of CTL and LRR10/LRR30/LRR50, the first peaks show a signif­
icant backward shift when methanol injection starts in the intake
manifold. It indicates that the reactivity of the atmosphere formed by
methanol and a small amount of pre-injected CTL is lower than the
reactivity of the atmosphere of pre-injected CTL. Observing the segment
before the second peak of the LRR10/LRR30/LRR50 curves, the AHRR
Fig. 4. Cylinder pressure and heat release rate for diesel engine test and model. Diesel, CTL and the RCCI model are used as case studies at 1800r/min, 240 N m.
9
Fuel 357 (2024) 129799
of this segment is higher than that of CTL as a whole, indicating that the
methanol and the small amount of pre-injected CTL are indeed reacting
and exothermic. This trend becomes more pronounced as the LRR in­
creases, e.g., the first half of the AHRR curve for LRR50 is much higher
than that for CTL. Ensures that the methanol/CTL performs the RCCI
combustion mechanism. However, due to the high latent heat of
vaporisation of methanol, the addition of methanol in the RCCI com­
bustion mode significantly delays the first stage of the exothermic pro­
cess. As the methanol atmosphere concentration increases, the
exothermic lag is significant. The increase in the peak exothermic rate of
the first stage in the RCCI mode is provided by methanol and provides a
slightly higher in-cylinder pressure than with diesel fuel.
The phase difference between the peak exothermic rates in the sec­
ond section is minor compared to burning diesel, except for the 240 N m
condition. This means that the lower injection volume of CTL contrib­
utes the principal amount of exothermic heat. In the RCCI mode, the
maximum rate of heat release from the new reactive stratification of
methanol-small amount of CTL-air is greater than that of the small
amount of CTL in the conventional combustion mode before the
exothermicity of the main injection of CTL starts and there are two
significant peaks of the exothermic rate. Therefore, compared to CTL,
there is a sharp increase in the HRR of the exothermic rate in the first
part of LRR50, and the HRR curve is delayed. At the 240 N m condition,
J. Zhu et al.
Fig. 5. In-cylinder pressure and heat release rate curves for different fuels.
methanol had a hysteretic effect on the exothermic process in all com­
bustion phases. As the fuel and combustion pattern changed, the peak in-
cylinder pressure gradually shifted towards an earlier crankshaft angle
(15.5 → 7.0 oCA ATDC).
ID, combustion duration (CD), CA5, the centre of gravity of com­
bustion (CA50) and CA90 were measured separately, as shown in Fig. 6.
Compared to diesel, the high CN of CTL was found to contribute to the
shortening of ID, which is consistent with the report of Sun et al. [74].
The ID was further shortened in the RCCI combustion mode, which was
particularly noticeable at loads of 180 N m and 240 N m. Zhang et al.
[21] tested the RCCI modes of petrol/CTL and petrol/diesel at different
loads and obtained similar results. The higher in-cylinder temperature
accelerates the ignition of the CTL. The increased methanol concentra­
tion facilitates the ignition process, which indicates that more methanol
is ignited and accelerates the release of energy.
The correlation between CA50 and fuel reactivity and engine load
were low, except for the 240 N m load condition. 100% load contributed
to an extensive range of advancement of CA50 in RCCI mode (19.9 →
17.6 → 15.6 → 14.1 oCA ATDC), which could put the risk of uncontrolled
pressure rise rates, as reported in the literature [75].
The CD was extended in both CTL and RCCI modes compared to the
10
Fuel 357 (2024) 129799
CD for diesel, which would help to reduce the pressure rise rate. The
maximum value of the CD occurred in the test results for the LRR50 with
180 N m load at 35.6 oCA ATDC.
4.2. Cycle variability and ringing intensity
Fig. 7 gives the variation of IMEP and COVs with fuel and operating
conditions. Fig. 7 consists of a box-and-line plot, data points and a
density distribution plot. The data points are the IMEPs for each oper­
ating condition measured in the test, and the density distribution plot
shows the distribution of the data points in the form of a normal dis­
tribution. In the box-and-line plot, from top to bottom, are the upper
inner limit, Q3, median, Q1 and lower inner limit. The upper inner limit
has a value of max(Datamax, Q3 + 1.5IQR), which has the mathematical
significance of the 99.65% cut-off for normally distributed data. The
lower inner limit indicates the lower outlier boundary, which has a value
of min(Datamin, Q1-1.5IQR), and its mathematical significance is similar
to that of the upper inner limit. The median line indicates the median
value of the data.
At 60 N m load, the IMEP of the RCCI mode for methanol and CTL is
lower than that of diesel and CTL. As the load rises to 120 N m, the IMEP
J. Zhu et al.
Fig. 6. Combustion phase with different fuels.
of the LRR10 and LRR30 improves significantly. When the load is raised
to 180 N m and 240 N m, the IMEP of the RCCI mode is greater than that
of diesel and CTL. It is worth noting that the IMEP of the LRR50 is not the
highest, but that of the LRR30 (1.19 MPa) at 240 N m load, which means
that the overly rich methanol atmosphere inhibits the engine’s ability to
do work.
In the RCCI mode, the COVIMEP gradually increases with increasing
methanol atmosphere concentration. However, the COVIMEP of LRR10 is
lower than that of CTL at different loads (120 N m, COVIMEP-LRR10 =
0.87% < 1.28%; 180 N m, COVIMEP-LRR10 = 0.90% < 1.04%; 240 N m,
COVIMEP-LRR10 = 0.65% < 0.69%), or even diesel (60 N m, COVIMEP-
LRR10 = 1.12% < COVIMEP-Diesel = 1.43% < COVIMEP-CTL = 1.44%). At 60
N m load, the COVIMEP of LRR30 and LRR50 (2.79% and 2.22%) is cause
for alarm, exceeding the 2% threshold [35].
The RI values for different loads and fuels are given in Fig. 8. At a
load condition of 60 N m, the engine has no knock cases and runs stably,
with the average (RImean) and maximum (RImax) values of RI being less
than 5 MW/m2 [76]. RImean is mainly below the safe threshold as the
load increases, except LRR50 at 240 N m (RImean-LRR50 = 9.6 MW/m2).
All RImax were examined, and out of 100 cycles, a few cases were
considered fully stable (120 N m, LRR30; 180 N m, LRR10 and LRR50).
There is a potential risk of engine knock levels exceeding the safe setting
at 180 N m and 240 N m loads, which should be dealt with effectively in
engineering design. In the low-temperature combustion mode,
numerous literatures [13,37,44,58,77–88] have reported limit values of
11
Fuel 357 (2024) 129799
85 MW/m2 and 23% for RI and COV of the engine, respectively. Such
high values are to be circumvented in engineering applications.
4.3. Fuel economy
Fig. 9 gives the BTE values for different fuels and operating loads. In
the RCCI mode, the BTE does not show a clear trend. When the engine
switches from CTL to methanol/CTL, the BTE decreases immediately.
Under the loads of 120 N m, 180 N m and 240 N m the development
trend of BTE is not the same, but they may have a unified characteristic:
the BTE increases and then decreases while increasing LRR. However,
the difference is that the extreme value of BTE occurs at different LRRs
under different operating conditions, for example, at 120 N m, BTE may
appear before LRR30, at 180 N m, BTE may appear between LRR10 and
LRR50, at 240 N m, BTE may appear after LRR30. This trend differs from
the 60 N m load, where the CTL is injected less and the ratio of methanol
to CTL consumption reaches 2.6. (Methanol consumption/CTL con­
sumption = 2.6 at LRR50), with more energy being supplied by meth­
anol. Details of the combustion pattern, energy release and reactivity
gradient are presented in Sections 4.5, 4.6 and 4.7.
Under the same load, the best BTE performance gradually shifted
from CTL (27.4% → 36.7%) to LRR30 and LRR50 (38.2% → 44.7%) as
the load increased. There may be a critical value for the methanol at­
mosphere concentration, around which there are extreme values of BTE.
At small loads, the critical values are in the range of small methanol
J. Zhu et al.
Fig. 7. IMEP and COVs for different fuel and load conditions.
concentrations; as the load increases, the critical values gradually shift
to the range of large methanol concentrations.
4.4. Emissions
The emissions of HC, soot, CO and NOX at different loads are given in
Fig. 10. As shown in Fig. 10, in the normal combustion mode, at the
same load, both soot and NOX emissions from diesel fuel combustion are
greater than CTL combustion. In contrast, HC and CO emissions are close
to those of CTL, which is in agreement with Chen et al.’s report [30].
This is mainly due to the similar physicochemical properties of diesel
and CTL, whereas the higher combustion efficiency of CTL results in
lower soot and NOX emissions.
Soot, CO, HC and NOX emissions were significantly reduced when the
engine load was increased, which was related to the higher temperature
in the cylinder [89]. At all loads, the maximum reduction in soot, CO,
HC and NOX emissions were 41%, 6%, 14% and 4%, respectively, for
CTL-fired compared to diesel emissions.
In the RCCI combustion mode, all pollutant emissions gradually in­
crease at high loads as LRR increases. At low and medium loads, HC, and
12
Fuel 357 (2024) 129799
Fig. 8. RI values for different fuel and load conditions.
Fig. 9. Fuel economy for different fuels and loads.
CO emissions gradually increase, and soot and NOX emissions are less at
LRR30. As the engine load increases, the cylinder’s overall responsive­
ness improves and the combustion conditions improve, resulting in a
significant reduction of HC and CO. In methanol/diesel in RCCI mode,
HC and CO emissions (0.2–4.5 g/kW h, 0.3–10 g/kW h) were reported in
literature [90] and NOX emissions (5.4–10 g/kW h) were reported in
literature [91], whereas HC and CO emissions of methanol/CTL were
0.04–4.7 g/kW h and 0.5–11 g/kW h and NOX emissions of 5.7–10 g/kW
h are close. Soot emissions are in the lower range (0.005–0.04 g/kW h)
compared to diesel.
As LRR increases, HC and CO emissions gradually increase. At a load
of 60 N m, HC and CO emissions increase by 1350% and 6866%
respectively for LRR50 compared to CTL. This is related to the heat
J. Zhu et al. Fuel 357 (2024) 129799

Fig. 10. Emissions of HC, soot, CO and NOX.

absorption of methanol and the reduced in-cylinder temperature leads to fuel, Ec, is used to indicate work Wi, heat transfer heat loss Qh, incom­
incomplete combustion [92]. Cylinder wall quenching, narrow gap ef­ plete combustion heat loss Qi-c and internal energy Ei of each species in
fects and the possible presence of unburnt methanol reduce the overall the cylinder, calculated as follows [94]:
reactivity of the cylinder [93].
Ec = Wi + Qh + Qi− c + Ei (11)
As LRR increases, there are fluctuations in soot and NOX emissions at
small and medium loads. LRR50 has lower soot emissions and LRR30 where Ec is the product of the LHV of the fuel and its mass, Ec = LHV • m,
has lower NOX emissions. At medium and large loads, soot emissions are ∫
data from experimental measurements. Wi = (P • V)dV, data from
lower for CTL and LRR10, and NOX emissions are lower for LRR10 and
experimental measurements of the schematic work diagram, Qh is the
LRR30. The reason for this is that a suitable methanol charge reduces the
combined heat transfer loss of the cylinder head, cylinder wall and
in-cylinder temperature, reducing the high temperature region and the
piston, data from simulations. Qi-c is the energy of incomplete combus­
duration of the high temperature. However, the over-concentrated
tion products (e.g. CO and HC etc.) in the cylinder.
methanol-air premix caused low temperatures in some areas of the
Fig. 11 gives the energy balance relationship in a single cylinder at
cylinder, incomplete combustion, and an increase in the proportion of
1800 r/min and different loads in the engine. Shortly after pre-injection
diffusion combustion, resulting in increased soot and NOX emissions.
(5–15 oCA), about 40–50% of the Ec released by diesel and CTL com­
bustion is transferred to Qi-c. This percentage is lower in the RCCI mode
4.5. Energy balance
(LRR10:30–38%, LRR30:25–34%, LRR50:17–26%), and most of the
energy is converted to internal energy in the cylinder. This indicates that
The LHV of the fuel is concerned with the energy balance of com­
the methanol atmosphere slows down the CTL’s exothermic combustion
bustion. During the combustion phase in the cylinder, the intake and
rate. After the main injection, Qi-c did not show a significant energy peak
exhaust valves are closed, and the cumulative energy released by the

13
J. Zhu et al. Fuel 357 (2024) 129799

Fig. 11. Energy balance in the cylinder during the combustion phase.

again (diesel: Qi-c of about 27–47% Ec). Qh increased steadily with where n is the substance of all species in the cylinder in a given cross-
increasing crank angle and was significantly higher than diesel, indi­ section, mol, mij is the molar mass fraction of species in row i, column
cating that the accelerated combustion rate after main injection tends
j, %. Eaij is the apparent activation energy of species in the same position,
towards complete combustion and reduces incomplete combustion
kcal/mol. nR is the amount of substance of the species involved in the
products such as CO and HC, an essential factor in the increase of
reaction, mol.
thermal efficiency [13]. At the same operating conditions, the change in
For analysis, 1800r/min, 240 N m was used as the test condition for
Wi is not significant.
the control analysis, taking many different crank angles and the same
The fuel’s CN can explain the ignition phase differences [57]. The
cross-section of GAAE in the cylinder as the study object, as shown in
energy balance in the ignition phase and around the centre of gravity of
Fig. 12. The CTL had a smaller GAAE in all phases compared to the
combustion (-20 to 30 oCA ATDC) is significantly different for different
diesel, except in the region near the oil bundle, contributing an earlier
fuels, and the very different reactivity of fuels in the combustion phase
moment of ignition in the early stages of combustion (-5,0 oCA ATDC), as
based on cetane values can provide additional ideas for research.
shown in the flame front (area of the high-temperature region, >1800 K,
[95]).
4.6. Reactivity distribution
In LRR10, at an earlier crank angle (-20 to − 5 oCA ATDC), the CTL
pre-injection ignited the methanol, and the flame filled the combustion
Reactivity is defined as the global apparent activation energy
chamber. At the moment of the CTL main injection, the flame area in the
(GAAE) for a given crank angle during the in-cylinder combustion phase
cylinder is more prominent and the residual fuel in the slit is ignited. At
and is calculated as follows:
the CTL post-injection, the temperature in the cylinder is significantly
∑∑( )/ ∑
GAAE = n • mij • Eaij nR (12) lower, which is beneficial for pollutant control.
i j In both LRR30 and LRR50, a consistent, uniform, higher GAAE was

14
J. Zhu et al. Fuel 357 (2024) 129799

Fig. 12. Global apparent activation energy and distribution of high temperature regions.

observed in the cylinder as the concentration of premixed methanol
atmosphere increased (LRR50 appeared at a non-integer crank angle and
is not represented in the graph). A strong correlation exists between the
high GAAE region and the lower in-cylinder temperatures, indicating
that higher GAAE maps to lower reactivity. The heat absorption effect of
the fuel and the lower reactivity retarded the combustion process. The
combustion process of the RCCI can be effectively regulated by adjusting
the methanol atmosphere concentration and the CTL injection strategy.
Fig. 13(a) gives the distribution area of the GAAE that varies
continuously with the crank angle. Regarding a continuous combustion
process, the distribution area of GAAE in the ignition region shows a
two-stage increase when burning diesel fuel, indicating the possibility of
discontinuous changes in the underlying chemical reaction. The devel­
opment of the GAAE distribution area was smoother for the combustion
of CTL. In the RCCI mode, the GAAE in the ignition region develops
rapidly, peaking at − 10 to − 5◦ CA ATDC and gradually decreasing to a
level of 50% of the peak at 10 to 25◦ CA ATDC. As the methanol injection
volume increased, the area of GAAE in the ignition region decreased.
This confirms that reactivity stratification has a more significant effect
on ignition and flame propagation, as previously reported [96].
The variation of the values of GAAE in the burned and unburned
regions is shown in Fig. 13(b). Compared to diesel, the average values of
GAAE in the burned and unburned regions are smaller for CTL,
favouring the continuity of chemical reactions and the expansion of the
flame. In the RCCI mode, the GAAE in the burned region is between
diesel and CTL and varies more steadily. As the methanol concentration
increases, the GAAE decreases slightly. The GAAE in the unburned re­
gion is slightly larger than the diesel’s. A lower GAAE window (-5 to

Fig. 13. Trends in area of ignition region and global apparent activation energy.

15
J. Zhu et al. Fuel 357 (2024) 129799

5◦ CA ATDC) exists for LRR10, reserving a potential ignition area, indi­ − 1.9 +4.9 • EquivalenceRatio (R2 = 0.96) in LRR50.
cating that the low concentration of methanol atmosphere facilitates the In the RCCI mode, the relationship between premixed and diffusive
expansion of the combustion range. combustion and energy release needs to be further demonstrated. The
relationship between specific internal energy (SIE) and flame index is
4.7. Premixed/diffusion combustion given in Fig. 15. The mathematical expression e for SIE is obtained from
the energy equation:
Based on Tang et al. [97], the concepts of homogeneous combustion ( ) [(
∑
∂e ∂uj e ∂uj ∂ K ∂e ∂ui ∂
heat release (HCHR) and premixed combustion heat release (PCHR) ρ +ρ = − P + + σ ij + hm ρD
∂t ∂xj ∂xj ∂xj cv ∂xj ∂xj ∂xj
were extended to premixed and diffusion combustion modes in this m
) ]
paper. The concept of Flame index (FI) is derived from Domingo et al. ∑ K ∂Ym
[98] and improved upon by Rosenberg et al. [99]. The FI is used to − em γ (15)
c p ∂xj
describe premixed and turbulent flames according to Rosenberg et al.
m

The Lagrangian-based Flame index (FI) was used to describe premixed where K is the thermal conductivity, cv is the specific heat at constant
and diffusive combustion, and the FI was defined as [100,101]: volume, hm is the species-specific enthalpy, D is the mass diffusion co­
∫ efficient, γ is the specific heat ratio, cp is the specific heat at constant
FI = ϛf̃ϕ (ψ ; χ , t)dψ (13)
ψ
pressure, and Ym is the mass fraction of species m.
When premixed methanol in the cylinder is ignited (>99% methanol
where ϛ is the mixing flux, ϛi = involved in the reaction, − 16 to − 9◦ CA ATDC in LRR10), it is referred to
(|dci /dt| − β|dZi /dt| )/(|dci /dt| +β|dZi /dt| ). c and Z are the progress var­ in this study as Period A. Statistically, the vast majority of the cell
iables. The progress variable c was taken from Ihme and Pitsch’s study reserve energy (SIE > 0) involved in the Period A reaction. According to
[102], c = vc • ϕ, and ϕ is the fraction of the mixture. The mixture the regression curve, the reserve energy of premixed combustion in
fraction is calculated based on Bilger’s formula [103]. Z = Period A (0.052 MJ/kg) is slightly greater than that of diffusion com­
vZ • (ϕ − ϕO ), ϕ is the fraction of the mixture and ϕO is the oxidant bustion. Period B, where the CTL is involved in the reaction until the end
composition vector. f̃ϕ (ψ ; χ , t) is the transport equation, with a theoret­ of the primary reaction, has a balance of reserve and released energy
ical basis in Haworth [104], defined as [105]: (SIE < 0) within the cells involved in the Period B reaction. The reserve
energy of premixed combustion in Period B is also more significant than
[ ⃒ ]
∂ρf̃ϕ ∂ρf̃ϕ vi |ψ ∂ 1 ∂Jαi ⃒⃒ ∂ρf̃ϕ Sα that of diffusion combustion (0.17 MJ/kg).
+ = − ρf̃ϕ ψ − (14)
∂t ∂χ i ∂ψ α ρ ∂χ i ⃒ ∂ψ α As the LRR increases, the cells of Period A tend to release energy,
with premixed combustion releasing more energy than diffusion com­
Where, vi is the velocity in the i-direction, Jαi is the molecular flux of
bustion (0.12 MJ/kg). In Period B, the premixed combustion in LRR30
component α in the i-direction and Sα is the chemical source term of
releases more energy (0.57 MJ/kg) than diffusion combustion. Howev­
component α.
er, in LRR50, diffusion combustion has a greater exothermic capacity
The relationship between FI and flame state characterisation is
(0.44 MJ/kg). This also confirms the greater adaptability of the diffusion
shown in Table 16.
combustion region to the GAAE and equivalence ratios in LRR50, which
This study narrowed FI down to show the distribution characteristics
can provide more internal energy in Fig. 14. With little change in heat
of premixed and diffuse combustion more clearly. As shown in Fig. 14
transfer and incomplete combustion heat loss, the higher exothermic
(a), the percentage of all coordinate points with FI information that meet
capacity of diffusion combustion can convert more internal energy into
the condition of 0.75 ≤ FI < 1 or − 1 < FI ≤ -0.75 is about 36.4%. Diesel
indicated work, providing thermal efficiency. In Fig. 14, the inconspic­
fuel shows significant premixed combustion regions (higher equivalent
uous premixed combustion concentration areas of LRR10 and LRR30 fail
ratios, lower temperatures), premixed/diffuse combustion mixing re­
to exert a higher exothermic capacity, making the thermal efficiency
gions and diffuse combustion regions (lower equivalent ratios, lower
low.
temperatures) within the cylinder. The GAAE shows the main factors for
As the LRR increases, the overlap region between the Period A and B
clustering premixed and diffuse combustion regions.
of heat absorption and release becomes progressively smaller, the en­
In (b), the distribution of premixed combustion is less concentrated;
ergy transfer between the cells tends to be impaired, and the energy
conversely, diffusion combustion is more concentrated. In the RCCI
balance in the cylinder is shocked, which is one of the reasons for the
model, as shown in (c), (d) and (e), the degree of influence of the
deterioration of cycle variability.
equivalence ratio on the mixing region decreases, and the mixing region
expands towards higher temperatures. The characteristic region of
premixed combustion gradually disappears, with the same decrease in 4.8. Performance analysis
percentage (Diesel: 19%, CTL: 17%, LRR10: 10%, LRR30: 9.8%, LRR50:
2.3%). Reactivity concentrations became dominant in the combustion To synthesise the engine stability and economy in relation to the load
pattern [97]. The diffusion combustion region gradually progresses to­ expansion ratio at the same speed and load, engine performance was
wards lower temperatures (1000 K → 750 K), showing a strong linear measured at 1800r/min and 240 N m. The relationship between LRR and
correlation with GAAE. GAAE = − 2.2 +5.5 • EquivalenceRatio (R2 = reactivity gradient, combustion gradient, cyclic coefficient of variation
0.91) in the diffusion combustion region of LRR30 and GAAE = and thermal efficiency is given in Fig. 16.
The reactivity gradient GradGAAE is defined as the ratio of the average
reactivity in the unburned region to that in the burned region:
Table 16
Characterization relationship between Flame index (FI) and flame state. GAAEunburned
GradGAAE = (16)
FI Flame state Application in this study GAAEburned
FI = 1 Fully premixed flame Nonexistence The combustion gradient is defined as the ratio of the number of cells
0 < FI < 1 Partially premixed 0.75 ≤ FI < 1, characterized as premixed
flame combustion
of premixed to diffuse combustion:
− 1 < FI Partially non-premixed − 1 < FI ≤ -0.75, characterized as diffusion ∑
f (FI, 0.75 ≤ FI < 1)
≤0 flame combustion Gradcombust = 100% • ∑ (17)
FI = -1 Fully non-premixed Nonexistence f (FI, − 1 < FI ≤ 0.75)
flame
As shown in the (a) and (c), the pre-formed methanol atmosphere in

16
J. Zhu et al. Fuel 357 (2024) 129799

Fig. 14. Combustion patterns and associated factors.

17
J. Zhu et al.
Fig. 15. Correlation of SIE and flame index.
the RCCI mode dramatically enhances the reactivity gradient (order of
magnitude increase, Period A: 10-2 → 101; Period B:10-1 → 101) during
the complete combustion phase. The more significant reactivity gradient
considerably narrows the combustion gradient, and the proportion of
premixed combustion decreases rapidly by about 3 to 4 times in the
Period A region. In the Period B region, this Fig. exceeds a maximum of
30 times. According to Fig. 14, more diffusion combustion exotherms
are lower than premixed combustion in Period A, while more diffusive
combustion exotherms are higher than in Period B. This indicates that
the reduced combustion gradient causes the exotherm in the cylinder to
tend towards a delayed exotherm in Period A and an accelerated exo­
therm in Period B. The centre of gravity of the two exotherms is
concentrated at the TDC. The change in CA50 in Fig. 6 confirms this
18
Fuel 357 (2024) 129799
hypothesis. It also confirms that the reactive stratification of the fuel–air
mixture dominates the combustion event [106,107].
The COVs for maximum in-cylinder pressure (Pmax) and IMEP are
shown in plots (e) and (f). In the RCCI mode, methanol controls the rapid
combustion of CTL under its lower reactivity, and COVpmax shows a
trend of first decreasing (CTL → LRR30) and then increasing. However,
the presence of reactivity gradients and combustion gradients constrains
the continuity of combustion, and COVIMEP shows a continuously
increasing trend.
Like COV, the globally relevant parameters indicated thermal effi­
ciency (ITE), and BTE showed an essentially linear increasing trend with
LRR. ITE was able to approach 60%, which is similar to previous reports
[108,109]. The homogeneous charge in the combustion chamber leads
J. Zhu et al.
Fig. 16. Relationship between engine performance and load expansion.
to a converging temperature distribution, which helps to reduce local
effects. With an excellent exothermic phase, the engine’s thermal effi­
ciency is improved more [110].
According to the test results, the engine PPRR exceeds the permis­
sible safe range when the LRR reaches 60 and above at 1800r/min and
240 N m operating conditions. At LRR 50 and below, a good balance
between stability and the economy can be achieved with LRR 30. As the
operating conditions gradually decrease, the more minor scales of LRR
show better characteristics (180 N m and 120 N m, LRR20; 60 N m,
LRR10), similar to the findings of Zhang et al. [22].
5. Conclusions
This study applied a modified dual-fuel RCCI combustion mode en­
gine to investigate the reactivity modulation of methanol/CTL and its
effect on combustion characteristics. By building a skeleton mechanism
for the methanol/CTL dual fuel, a CFD model applicable to the RCCI
mode is developed, and the mechanism of reactivity-controlled com­
bustion mode is explored. Finally, a load expansion strategy for the
methanol/CTL dual-fuel engine is proposed. The current study leads to
the following conclusions:
1. Compared to conventional diesel fuel, CTL has a shorter ID, faster
combustion, and significant bimodal exothermic characteristics,
resulting in a maximum reduction of 41% and 4% in soot and NOX
emissions. The dual-fuel RCCI mode of methanol/CTL further
shortens the ID, prolongs the CD, and significantly increases HC and
CO emissions by a maximum of 1350% and 6866%, respectively. At
medium to large loads, methanol/CTL has increased IMEP, increased
COVIMEP and combustion noise, and reduced HC, soot, CO, and NOX
emissions. The larger load expansion ratio reduces local effects and
improves thermal efficiency.
2. The concept of global apparent activation energy (GAAE) for
[41,46–50] reactivity is proposed. As the load expansion ratio in­
creases, the gradient of reactivity (GradGAAE) formed in the unburned
and burned regions of the cylinder increases by 2 to 3 orders of
19
Fuel 357 (2024) 129799
magnitude, controlling ignition and flame propagation. Compared to
diesel combustion, the premixed combustion region gradually dis­
appears as the GAAE increases, and the diffuse combustion region
and GAAE are linearly correlated.
3. The mathematical relationship between the internal energy of the
reactants and premixed/diffusion combustion is revealed. Premixed
combustion’s internal energy release capacity is more significant
than diffusion combustion’s at low and medium loads, about
0.12–0.57 MJ/kg; the opposite is true at high loads, about 0.44 MJ/
kg. As the ratio of load expansion increases, the combustion gradient
(Gradcombust) formed by premixed combustion and diffusion com­
bustion decreases, driving the exothermic phase to concentrate to­
wards TDC.
4. A comprehensive analysis of the engine performance in RCCI mode
yields a relatively good load expansion ratio. When the engine output
torque is 60 N m, match LRR10, 120 N m and 180 N m match LRR20,
240 N m choose LRR30.
CRediT authorship contribution statement
Jialong Zhu: Writing – original draft, Software, Methodology,
Investigation, Formal analysis, Data curation. Zhong Wang: Writing –
review & editing, Supervision, Resources, Project administration,
Funding acquisition, Conceptualization. Ruina Li: Resources, Project
administration, Methodology, Funding acquisition. Shuai Liu: Writing –
review & editing, Visualization, Validation, Supervision. Mingdi Li:
Writing – review & editing, Supervision.
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.
J. Zhu et al. Fuel 357 (2024) 129799

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