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The possibility to operate current diesel engines in dual-fuel mode with the addition of an alternative fuel is fundamental to accelerate the energy transition to achieve carbon neutrality. The simulation of the dual- fuel combustion process with 0D/1D combustion models is fundamental for the performance prediction, but still particularly challenging, due to chemical interactions of the mixture. The authors defined a novel data-driven workflow for the development of combustion reaction mechanisms and used it to generate a dual-fuel mechanism for Ammonia and Diesel Primary Reference Fuels (DPRF) suitable for efficient combustion simulations in heavy duty engines, with variable cetane number Diesel fuels. A baseline reaction mechanism was created by merging the detailed ammonia mechanism by Glarborg et al. with reaction pathways for n- hexadecane and 2,2,4,4,6,8,8-heptamethylnonane from a well-established multi-component fuel mechanism.

Reactivity Controlled Compression Ignition (RCCI) has been shown to be an attractive concept to achieve clean and high efficiency combustion. RCCI can be realized by applying two fuels with different reactivities, e.g., diesel and gasoline. This motivates the idea of using a single low reactivity fuel and direct injection (DI) of the same fuel blended with a small amount of cetane improver to achieve RCCI combustion. In the current study, numerical investigation was conducted to simulate RCCI and HCCI combustion and emissions with various fuels, including gasoline/diesel, iso-butanol/diesel and iso-butanol/iso-butanol+di-tert-butyl peroxide (DTBP) cetane improver. A reduced Primary Reference Fuel (PRF)-iso-butanol-DTBP mechanism was formulated and coupled with the KIVA computational fluid dynamic (CFD) code to predict the combustion and emissions of these fuels under different operating conditions in a heavy duty diesel engine.

Control of the timing and magnitude of heat release is one of the biggest challenges for premixed compression ignition, especially when attempting to operate at high load. Single-fuel strategies such as partially premixed combustion (PPC) use direct injection of gasoline to stratify equivalence ratio and retard heat release, thereby reducing pressure rise rate and enabling high load operation. However, retarding the heat release also reduces the maximum work extraction, effectively creating a tradeoff between efficiency and noise. Dual-fuel strategies such as reactivity controlled compression ignition (RCCI) use premixed gasoline and direct injection of diesel to stratify both equivalence ratio and fuel reactivity, which allows for greater control over the timing and duration of heat release. This enables combustion phasing closer to top dead center (TDC), which is thermodynamically favorable.

The focus of the present study was to characterize Reactivity Controlled Compression Ignition (RCCI) using a single-fuel approach of gasoline and gasoline mixed with a commercially available cetane improver on a multi-cylinder engine. RCCI was achieved by port-injecting a certification grade 96 research octane gasoline and direct-injecting the same gasoline mixed with various levels of a cetane improver, 2-ethylhexyl nitrate (EHN). The EHN volume percentages investigated in the direct-injected fuel were 10, 5, and 2.5%. The combustion phasing controllability and emissions of the different fueling combinations were characterized at 2300 rpm and 4.2 bar brake mean effective pressure over a variety of parametric investigations including direct injection timing, premixed gasoline percentage, and intake temperature. Comparisons were made to gasoline/diesel RCCI operation on the same engine platform at nominally the same operating condition.

The present experimental engine efficiency study explores the effects of intake pressure and temperature, and premixed and global equivalence ratios on gross thermal efficiency (GTE) using the reactivity controlled compression ignition (RCCI) combustion strategy. Experiments were conducted in a heavy-duty single-cylinder engine at constant net load (IMEPn) of 8.45 bar, 1300 rev/min engine speed, with 0% EGR, and a 50% mass fraction burned combustion phasing (CA50) of 0.5°CA ATDC. The engine was port fueled with E85 for the low reactivity fuel and direct injected with 3.5% 2-ethylhexyl nitrate (EHN) doped into 91 anti-knock index (AKI) gasoline for the high-reactivity fuel. The resulting reactivity of the enhanced fuel corresponds to an AKI of approximately 56 and a cetane number of approximately 28. The engine was operated with a wide range of intake pressures and temperatures, and the ratio of low- to high-reactivity fuel was adjusted to maintain a fixed speed-phasing-load condition.

Reactivity Controlled Compression Ignition (RCCI) is an engine combustion strategy that utilizes in-cylinder fuel blending to produce low NOx and PM emissions while maintaining high thermal efficiency. The current study investigates RCCI and conventional diesel combustion (CDC) operation in a light-duty multi-cylinder engine over transient operating conditions using a high-bandwidth, transient capable engine test cell. Transient RCCI and CDC combustion and emissions results are compared over an up-speed change from 1,000 to 2,000 rev/min. and a down-speed change from 2,000 to 1,000 rev/min. at a constant 2.0 bar BMEP load. The engine experiments consisted of in-cylinder fuel blending with port fuel-injection (PFI) of gasoline and early-cycle, direct-injection (DI) of ultra-low sulfur diesel (ULSD) for the RCCI tests and the same ULSD for the CDC tests.

Real transportation fuels, such as gasoline and diesel, are mixtures of thousands of different hydrocarbons. For multidimensional engine applications, numerical simulations of combustion of real fuels with all of the hydrocarbon species included exceeds present computational capabilities. Consequently, surrogate fuel models are normally utilized. A good surrogate fuel model should approximate the essential physical and chemical properties of the real fuel. In this work, we present a novel methodology for the formulation of surrogate fuel models based on local optimization and sensitivity analysis technologies. Within the proposed approach, several important fuel properties are considered. Under the physical properties, we focus on volatility, density, lower heating value (LHV), and viscosity, while the chemical properties relate to the chemical composition, hydrogen to carbon (H/C) ratio, and ignition behavior. An error tolerance is assigned to each property for convergence checking.

Reactivity Controlled Compression Ignition (RCCI) is an engine combustion strategy that utilizes in-cylinder fuel blending to produce low NOx and PM emissions while maintaining high thermal efficiency. Previous RCCI research has been investigated in single-cylinder heavy-duty engines [1, 2, 3, 4, 5, 6]. The current study investigates RCCI operation in a light-duty multi-cylinder engine over a wide number of operating points representing vehicle operation over the US EPA FTP test. Similarly, previous RCCI engine experiments have used petroleum based fuels such as ultra-low sulfur diesel fuel (ULSD) and gasoline, with some work done using high percentages of biofuels, namely E85 [7]. The current study was conducted to examine RCCI performance with moderate biofuel blends, such as E20 and B20, as compared to conventional gasoline and ULSD.

A single-cylinder light-duty diesel engine was used to investigate dual fuel reactivity controlled compression ignition (RCCI) operated with two different fuel combinations: gasoline/diesel fuel and methanol/diesel fuel. The engine was operated over a range of conditions, from 1500 to 2300 rpm and 3.5 to 17 bar gross IMEP. Using the stock re-entrant piston bowl geometry, both fuel combinations were able to achieve low NOx and PM emissions with a peak gross indicated efficiency of 48%. However, at light load conditions both gasoline and methanol yielded poorer combustion efficiencies. Previous studies have shown that the high-levels of piston induced mixing that are created by the stock piston are not required, and in fact are detrimental due to increased heat transfer losses, for premixed combustion. Thus a modified piston featuring a shallow, flat piston bowl with nearly no squish land was also investigated.

The focus of the present study was to characterize the fuel reactivity of high octane number fuels (i.e., low fuel reactivity), namely gasoline, ethanol, and methanol when mixed with cetane improvers under lean, premixed combustion conditions. Two commercially available cetane improvers, 2-ethylhexyl nitrate and di-tert-butyl peroxide, were used in the study. First, blends of the primary reference fuels iso-octane and n-heptane were port injected under fixed operating conditions. The resulting combustion phasings were used to generate effective PRF number maps. Then, blends of the aforementioned base fuels and cetane improvers were tested under the same lean premixed conditions as the PRF blends. Based on the combustion phasing results of the base fuel and cetane improver mixture, the effective PRF number, or octane number, could be determined.

Many concepts of premixed diesel combustion at reduced temperatures have been investigated over the last decade as a means to simultaneously decrease engine-out particle and oxide of nitrogen (NO ) emissions. To overcome the trade-off between simultaneously low particle and NO emissions versus high "diesel-like" combustion efficiency, a new dual-fuel technique called Reactivity Controlled Compression Ignition (RCCI) has been researched. In the present study, particle size distributions were measured from RCCI for four gasoline:diesel compositions from 65%:35% to 84%:16%, respectively. Previously, fuel blending (reactivity control) had been carried out by a port fuel injection of the higher volatility fuel and a direct in-cylinder injection of the lower volatility fuel. With a recent mechanical upgrade, it was possible to perform injections of both fuels directly into the combustion chamber.

In a recent study, quantitative measurements were presented of in-cylinder spatial distributions of mixture equivalence ratio in a single-cylinder light-duty optical diesel engine, operated with a non-reactive mixture at conditions similar to an early injection low-temperature combustion mode. In the experiments a planar laser-induced fluorescence (PLIF) methodology was used to obtain local mixture equivalence ratio values based on a diesel fuel surrogate (75% n-heptane, 25% iso-octane), with a small fraction of toluene as fluorescing tracer (0.5% by mass). Significant changes in the mixture's structure and composition at the walls were observed due to increased charge motion at high swirl and injection pressure levels. This suggested a non-negligible impact on wall heat transfer and, ultimately, on efficiency and engine-out emissions.

Diesel fuels are complex mixtures of thousands of hydrocarbons. Since modeling their combustion characteristics with the inclusion of all hydrocarbon species is not feasible, a hybrid surrogate model approach is used in the present work to represent the physical and chemical properties of three different diesel fuels by using up to 13 and 4 separate hydrocarbon species, respectively. The surrogates are arrived at by matching their distillation profiles and important properties with the real fuel, while the chemistry surrogates are arrived at by using a Group Chemistry Representation (GCR) method wherein the hydrocarbon species in the physical property surrogates are grouped based on their chemical classes, and the chemistry of each class is represented by using up to two hydrocarbon species.

The author's new approach, diesel and gasoline dual fuel powered combustion system based on diesel CI triggered ignition control, provides not only how key ideas extracted from LTC concept could be established in a small bore HSDI turbocharged diesel engine but also which mechanism works to bring almost same benefits as we have experienced in both conventional diesel combustion and LTC based advanced combustion systems like HCCI, PCCI and PPCI combustions. The combustion system presented in the paper physically combines both mixing controlled diesel compression ignition combustion and gasoline premixed charge combustion in one power generation cycle. Gasoline fuel in the system is provided by the conventional gasoline PFI system firstly into the cylinder in which premixed charge spreads out. In compression stroke, the exact amount of diesel fuel is injected into the highly diluted EGR ambient with premixed gasoline charge.

In-cylinder blending of gasoline and diesel to achieve Reactivity Controlled Compression Ignition (RCCI) has been shown to reduce NOX and particulate matter (PM) emissions while maintaining or improving brake thermal efficiency as compared to conventional diesel combustion (CDC). The RCCI concept has an advantage over many advanced combustion strategies in that the fuel reactivity can be tailored to the engine speed and load allowing stable low-temperature combustion to be extended over more of the light-duty drive cycle load range. Varying the premixed gasoline fraction changes the fuel reactivity stratification in the cylinder providing further control of combustion phasing and pressure rise rate than the use of EGR alone. This added control over the combustion process has been shown to allow rapid engine operating point exploration without direct modeling guidance.

Advanced combustion systems that simultaneously address PM and NOx while retaining the high efficiency of modern diesel engines, are being developed around the globe. One of the most difficult problems in the area of advanced combustion technology development is the control of combustion initiation and retaining power density. During the past several years, significant progress has been accomplished in reducing emissions of NOx and PM through strategies such as LTC/HCCI/PCCI/PPCI and other advanced combustion processes; however control of ignition and improving power density has suffered to some degree - advanced combustion engines tend to be limited to the 10 bar BMEP range and under. Experimental investigations have been carried out on a light-duty DI multi-cylinder diesel automotive engine. The engine is operated in low temperature combustion (LTC) mode using 93 RON (Research Octane Number) and 74 RON fuel.

An experimental investigation of Reactivity Controlled Compression Ignition (RCCI) combustion was conducted in a small single-cylinder HSDI diesel generator engine and compared to standard Direct Injection (DI) diesel combustion to assess the validity of this combustion strategy for high efficiency operation and simultaneous NOx and soot emission reduction in cylinder for this type of engine. A Yanmar L70AE engine was modified from its unit injector mechanical fuel system to operate with a more flexible, electrically controlled common rail DI fuel system in order to achieve the high level of injection event control required for RCCI combustion. RCCI combustion was realized using split, early DI diesel fuel and Port Fuel Injected (PFI) gasoline for 25%, 50% and 75% engine loads (~3, 4.3 and 5.5 bar IMEPn). The effects of intake air temperature, DI injection timing and combustion phasing on engine efficiency, emissions and combustion stability were explored.

The paper presents the development of a novel approach to the solution of detailed chemistry in internal combustion engine simulations, which relies on the analytical computation of the ordinary differential equations (ODE) system Jacobian matrix in sparse form. Arbitrary reaction behaviors in either Arrhenius, third-body or fall-off formulations can be considered, and thermodynamic gas-phase mixture properties are evaluated according to the well-established 7-coefficient JANAF polynomial form. The current work presents a full validation of the new chemistry solver when coupled to the KIVA-4 code, through modeling of a single cylinder Caterpillar 3401 heavy-duty engine, running in two-stage combustion mode.

An investigation of high speed direct injection (DI) compression ignition (CI) engine combustion fueled with gasoline injected using a triple-pulse strategy in the low temperature combustion (LTC) regime is presented. This work aims to extend the operation ranges for a light-duty diesel engine, operating on gasoline, that have been identified in previous work via extended controllability of the injection process. The single-cylinder engine (SCE) was operated at full load (16 bar IMEP, 2500 rev/min) and computational simulations of the in-cylinder processes were performed using a multi-dimensional CFD code, KIVA-ERC-Chemkin, that features improved sub-models and the Chemkin library. The oxidation chemistry of the fuel was calculated using a reduced mechanism for primary reference fuel combustion chosen to match ignition characteristics of the gasoline fuel used for the SCE experiments.

Reactivity Controlled Compression Ignition (RCCI) is an engine combustion strategy that produces low NO and PM emissions with high thermal efficiency. Previous RCCI research has been investigated in single-cylinder heavy-duty engines. The current study investigates RCCI operation in a light-duty multi-cylinder engine at 3 operating points. These operating points were chosen to cover a range of conditions seen in the US EPA light-duty FTP test. The operating points were chosen by the Ad Hoc working group to simulate operation in the FTP test. The fueling strategy for the engine experiments consisted of in-cylinder fuel blending using port fuel-injection (PFI) of gasoline and early-cycle, direct-injection (DI) of diesel fuel. At these 3 points, the stock engine configuration is compared to operation with both the original equipment manufacturer (OEM) and custom-machined pistons designed for RCCI operation.