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Spark ignition engines utilize catalytic converters to reform harmful exhaust gas emissions such as carbon monoxide, unburned hydrocarbons, and oxides of nitrogen into less harmful products. Aftertreatment devices require the use of expensive catalytic metals such as platinum, palladium, and rhodium. Meanwhile, tightening automotive emissions regulations globally necessitate the development of high-performance exhaust gas catalysts. So, automotive manufactures must balance maximizing catalyst performance while minimizing production costs. There are thousands of different recipes for catalytic converters, with each having a different effect on the various catalytic chemical reactions which impact the resultant tailpipe gas composition. In the development of catalytic converters, simulation models are often used to reduce the need for physical parts and testing, thus saving significant time and money.

Mobility in the automotive and transportation sectors has been experiencing a period of unprecedented evolution. A growing need for efficient, clean and safe mobility has increased momentum toward sustainable technologies in these sectors. Toward this end, battery electric vehicles have drawn keen interest and their market share is expected to grow significantly in the coming years, especially in light-duty applications such as passenger cars. Although the battery electric vehicles feature high performance and zero tailpipe emission characteristics, economic and technical issues such as battery cost, driving range, recharging time and infrastructure remain main hurdles that need to be fully addressed. In particular, the low power density of the battery limits its broad adoption in heavy-duty applications such as class 8 semi-trailer trucks due to the required size and weight of the battery and electric motor.

Expanding upon the authors’ previous work which utilized a GT-Power model of the Cooperative Fuels Research (CFR) engine under Research Octane Number (RON) conditions, this work defines the boundary conditions of the CFR engine under Motored Octane Number (MON) test conditions. The GT-Power model was validated against experimental CFR engine data for primary reference fuel (PRF) blends between 60 and 100 under standard MON conditions, defining the full range of interest of MON for gasoline-type fuels. The CFR engine model utilizes a predictive turbulent flame propagation sub-model, and a chemical kinetic solver for the end-gas chemistry. The validation was performed simultaneously for thermodynamic and chemical kinetic parameters to match in-cylinder pressure conditions, burn rate, and knock point prediction with experimental data, requiring only minor modifications to the flame propagation model from previous model iterations.

This work numerically investigates the detailed combustion kinetics of partially premixed combustion (PPC) in a diesel engine under three different premixed ratio fuel conditions. A reduced Primary Reference Fuel (PRF) chemical kinetics mechanism was coupled with CONVERGE-SAGE CFD model to predict PPC combustion under various operating conditions. The experimental results showed that the increase of premixed ratio (PR) fuel resulted in advanced combustion phasing. To provide insight into the effects of PR on ignition delay time and key reaction pathways, a post-process tool was used. The ignition delay time is related to the formation of hydroxyl (OH). Thus, the validated Converge CFD code with the PRF chemistry and the post-process tool was applied to investigate how PR change the formation of OH during the low-to high-temperature reaction transition. The reaction pathway analyses of the formations of OH before ignition time were investigated.

Variable Compression Ratio systems are an increasingly attractive solution for car manufacturers in order to reduce vehicle fuel consumption. By having the capability to operate with a range of compression ratios, engine efficiency can be significantly increased by operating with a high compression ratio at low loads, where the engine is normally not knock-limited, and with a low compression ratio at high load, where the engine is more prone to knock. In this way, engine efficiency can be maximized without sacrificing performance. This study aims to analyze how the effectiveness of a VCR system is affected by various powertrain and vehicle parameters. By using a Matlab model of a VCR system developed in Part 1 of this work, the influence of the vehicle characteristics, the drive cycle, and of the number of stages used in the VCR system was studied.

Liquefied natural gas (LNG) engine could provide both reduced operating cost and reduction of greenhouse gas (GHG) emissions. Stoichiometric operation with EGR and the three-way catalyst has become a potential approach for commercial LNG engines to meet the Euro VI emissions legislation. In the current study, numerical investigations on the knocking tendency of several combustion chambers with different geometries and corresponding performances were conducted using CONVERGE CFD code with G-equation flame propagation model coupled with a reduced natural gas chemical kinetic mechanism. The results showed that the CFD modeling approach could predict the knock phenomenon in LNG engines reasonably well under different thermodynamic and flow field conditions.

Developments in modern spark ignition (SI) engines such as intake boosting, direct-injection, and engine downsizing techniques have demonstrated improved performance and thermal efficiency, however, these strategies induce significant deviation in end-gas pressure/temperature histories from those of the traditional Research and Motor Octane Number (RON and MON) standards. Attempting to extrapolate the anti-knock performance of fuels tested under the traditional RON/MON conditions to boosted operation has yielded mixed results in both SI and advanced compression ignition (ACI) engines. This consideration motivates the present work with seeks to establish a pathway towards the development of the test conditions of a boosted octane number, which would better correlate to fuel performance at high intake pressure conditions.

In the current, numerical study RCCI combustion and emission characteristics using various fuel strategies are investigated, including methanol, ethanol, n-butanol and gasoline as the low reactivity fuel, and diesel fuel as the high reactivity fuel. A reduced Primary Reference Fuel (PRF)-alcohol chemical kinetic mechanism was coupled with a computational fluid dynamic (CFD) code to predict RCCI combustion under various operating conditions. The results show that a higher quantity of diesel was required to maintain the same combustion phasing with alcohol-diesel fuel blends, and the combustion durations and pressure rise rates of methanol-diesel (MD) and ethanol-diesel (ED) cases were much shorter and higher than those of gasoline-diesel (GD) and n-butanol-diesel (nBD) cases. The simulations also investigated the sensitivities of the direct injection strategies, intake temperature and premixed fuel ratio on RCCI combustion phasing control.

In order to further study the effects of air and EGR dilution on the fuel economy improvement of natural gas engines under the premise of meeting EU6 legislation, a comparison between stoichiometric operation with EGR and lean burn operation with and without EGR has been conducted at 1600rpm 50% and 75% load. The conversion efficiencies of the catalysts for both NOx and CH4 emissions are assumed at 90% for lean burn operation. Experiment results indicate that under the condition of meeting both NOx and CH4 predetermined engine-out emissions limits for EU6 legislation, lean operation with a small fraction of EGR dilution enables more advanced combustion phasing compared to pure lean operation, which results in much better fuel economy, thus further improvement compared to stoichiometric operation is achieved.

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.

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.

This work concerns the oxidation of biodiesel surrogates in a CI engine. An experimental study has been carried out in a single-cylinder common-rail CI engine with soybean biodiesel and two biodiesel surrogates containing neat methyl decanoate and methyl decanoate/n-heptane blends. Tests have been conducted with various intake oxygen concentrations ranging from 21% to approximately 9% at intake temperatures of 25°C and 50°C. The results showed that the ignition delay and smoke emissions of neat methyl decanoate were closer to that of soybean biodiesel as compared with methyl decanoate/n-heptane blends. A reduced chemical kinetic mechanism for the oxidation of methyl decanoate has been developed and applied to model internal combustion engines. A KIVA code, coupled with the Chemkin chemistry solver, was used as the computational platforms. The effects of various intake oxygen concentrations on the in-cylinder emissions of OH and soot were discussed.

The present experimental study explored methods to obtain the maximum practical cycle efficiency with Reactivity Controlled Compression Ignition (RCCI). The study used both zero-dimensional computational cycle simulations and engine experiments. The experiments were conducted using a single-cylinder heavy-duty research diesel engine adapted for dual fuel operation, with and without piston oil gallery cooling. In previous studies, RCCI combustion with in-cylinder fuel blending using port-fuel-injection of a low reactivity fuel and optimized direct-injections of higher reactivity fuels was demonstrated to permit near-zero levels of NOx and PM emissions in-cylinder, while simultaneously realizing gross indicated thermal efficiencies in excess of 56%. The present study considered RCCI operation at a fixed load condition of 6.5 bar IMEP an engine speed of 1,300 [r/min]. The experiments used a piston with a flat profile with 18.7:1 compression ratio.

This paper describes numerical simulations that compare the performance of two combustion CFD models against experimental data, and evaluates the effects of combustion and spray model constants on the predicted combustion and emissions under various operating conditions. The combustion models include a Characteristic Time Combustion (CTC) model and CHEMKIN with reduced chemistry models integrated in the KIVA-3Vr2 CFD code. The diesel spray process was modeled using an updated version of the KH-RT spray model that features a gas jet submodel to help reduce numerical grid dependencies, and the effects of both the spray and combustion model constants on combustion and emissions were evaluated. In addition, the performance of two soot models was compared, namely a two-step soot model, and a more detailed model that considers soot formation from PAH precursors.

A yc6112ZLQ turbocharged 6 cylinder engine with intercooler was converted to operate in dual fuel mode with compressed natural gas (CNG) and pilot diesel. The influence of the CNG ratio, pilot diesel injection advance (ADC) and intake temperature after intercooler on the combustion process, emissions and engine performance was investigated. The results show that the combustion process of dual-fuel engines is faster than diesel engine. Both the ignition timing of the pilot fuel and the excess air ratio of total fuel λ dominate the combustion characteristics of duel-fuel engines. With the increase of CNG ratio, the pressure and temperature in cylinder decrease at rated mode, but increase at torque and low speed modes. With advanced the pilot injection timing or increased the intake temperature, the cylinder pressure and temperature increase.