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The motivation of the present work was to understand the mechanism by which alcohols produce less aromatic species in their combustion process than an equal amount of hydrocarbon with similar molecular structure does. Due to its numerous advantages over short-chain alcohols, butanol has been considered very promising in soot reduction. Excluding the influence of spray, vaporization and mixing process in engine cases, an adiabatic constant-pressure reactor model was applied to investigate the effect of butanol additives on aromatic species, which are known to be soot precursors, in fuel-rich butane flames. To keep the carbon flux constant, 5% and 10% oxygen by mass of the fuel were added to butane using butanol additive, respectively. Based on the soot reduction effects proposed in literature, effects on temperature, key radical concentrations and the carbon removal from the pathway to aromatic species were considered to identify the major mechanism of reduction in aromatic species.

Butanol, which is a renewable biofuel, has been regarded as a promising alternative fuel for internal combustion engines. When blended with diesel and applied to pilot ignited natural gas engines, butanol has the capability to achieve lower emissions without sacrifice on thermal efficiency. However, high blend ratio of butanol is limited by its longer ignition delay caused by the higher latent heat and higher octane number, which restricts the improvement of emission characteristics. In this paper, the potential of increasing butanol blend ratio by adding hot exhaust gas recirculation (EGR) is investigated. 3D CFD model based on a detailed kinetic mechanism was built and validated by experimental results of natural gas engine ignited by diesel/butanol blends. The effects of hot EGR is then revealed by the simulation results of the combustion process, heat release traces and also the emissions under different diesel/butanol blend ratios.

Alcohols, because of their potential to be produced from renewable sources and their characteristics suitable for clean combustion, are considered potential fuels which can be blended with fossil-based gasoline for use in internal combustion engines. As such, n-butanol has received a lot of attention in this regard and has shown to be a possible alternative to pure gasoline. The main issue preventing butanol's use in modern engines is its relatively high cost of production. Acetone-Butanol-Ethanol (ABE) fermentation is one of the major methods to produce bio-butanol. The goal of this study is to investigate the combustion characteristics of the intermediate product in butanol production, namely ABE, and hence evaluate its potential as an alternative fuel. Acetone, n-butanol and ethanol were blended in a 3:6:1 volume ratio and then splash blended with pure ethanol-free gasoline with volumetric ratios of 0%, 20%, 40% to create various fuel blends.

In the present study, we developed a reduced chemical reaction mechanism consisted of n-heptane and toluene as surrogate fuel species for diesel engine combustion simulation. The LLNL detailed chemical kinetic mechanism for n-heptane was chosen as the base mechanism. A multi-technique reduction methodology was applied, which included directed relation graph with error propagation and sensitivity analysis (DRGEPSA), non-essential reaction elimination, reaction pathway analysis, sensitivity analysis, and reaction rate adjustment. In a similar fashion, a reduced toluene mechanism was also developed. The reduced n-heptane and toluene mechanisms were then combined to form a diesel surrogate mechanism, which consisted of 158 species and 468 reactions. Extensive validations were conducted for the present mechanism with experimental ignition delay in shock tubes and laminar flame speeds under various pressures, temperatures and equivalence ratios related to engine conditions.

With the development of advanced ABE fermentation technology, the volumetric percentage of acetone, butanol and ethanol in the bio-solvents can be precisely controlled. To seek for an optimized volumetric ratio for ABE-diesel blends, the previous work in our team has experimentally investigated and analyzed the combustion features of ABE-diesel blends with different volumetric ratio (A: B: E: 6:3:1; 3:6:1; 0:10:0, vol. %) in a constant volume chamber. It was found that an increased amount of acetone would lead to a significant advancement of combustion phasing whereas butanol would compensate the advancing effect. Both spray dynamic and chemistry reaction dynamic are of great importance in explaining the unique combustion characteristic of ABE-diesel blend. In this study, a semi-detailed chemical mechanism is constructed and used to model ABE-diesel spray combustion in a constant volume chamber.

In this work, an efficient and unified combustion model is introduced to simulate the flame propagation, diffusion-controlled combustion, and chemically-driven ignition in both SI and CI engine operation. The unified model is constructed upon a G-equation model which addresses the premixed flame propagation. The concept of the Livengood-Wu integral is used with tabulated ignition delay data to account for the chemical kinetics which is responsible for the spontaneous ignition of fuel-air mixture. A set of rigorously defined operations are used to couple the evolution of the G scalar field and the Livengood-Wu integral. The diffusion-controlled combustion is simulated equivalent to applying the Burke-Schumann limit. The combined model is tested in the simulation of the premixed SI combustion in a constant volume chamber, as well as the CI combustion in a conventional small bore diesel engine.

The modeling of fuel jet atomization is key in the characterization of Internal Combustion (IC) engines, and 3D Computational Fluid Dynamics (CFD) is a recognized tool to provide insights for design and control purposes. Multi-hole injectors with counter-bored nozzle are the standard for Gasoline Direct Injection (GDI) applications and the Spray-G injector from the Engine Combustion Network (ECN) is considered the reference for numerical studies, thanks to the availability of extensive experimental data. In this work, the behavior of the Spray-G injector is simulated in a constant volume chamber, ranging from sub-cooled (nominal G) to flashing conditions (G2), validating the models on Diffused Back Illumination and Phase Doppler Anemometry data collected in vaporizing inert conditions.

Butanol has proved to be a very promising alternative fuel in recent years. The production of bio-butanol, typically done using the acetone-butanol-ethanol (ABE) fermentation process is expensive and consumes a lot of energy. Hence it is of interest to study the intermediate fermentation product, i.e. water-containing ABE as a potential fuel. The combustion and emissions performance of ABE29.5W0.5 (29.5 vol.% ABE, 0.5 vol.% water and gasoline blend), ABE30 (30 vol.% ABE and gasoline blend) and ABE0 (pure gasoline) were investigated in this study. The results showed that ABE29.5W0.5 enhanced engine torque by 9.6%-12.7% and brake thermal efficiency (BTE) by 5.2%-11.6% compared to pure gasoline, respectively. ABE29.5W0.5 also showed similar brake specific fuel consumption (BSFC) relative to pure gasoline.

Ethanol is the most widely used renewable fuel in the world now. Compared to ethanol, butanol is another very promising renewable fuel for internal combustion engines. It is less corrosive, and has higher energy density, lower vapor pressure and lower solubility in water. However, the use of Acetone-Butanol-Ethanol (ABE), an intermediate product in ABE fermentation, presents a cost advantage over ethanol and butanol and has attracted much attention recently. In this study, three high-alcohol-content gasoline blends (85% vol. of ethanol, butanol and ABE, referred as E85, B85 and ABE85, respectively) were investigated in a port-injection spark-ignition engine. ABE has a component ratio of 3:6:1. In addition, pure gasoline was also tested as a baseline for comparison. All fuels were tested under the same conditions (1200 RPM, Φ = 0.83−1.25, BMEP = 3 bar).

Due to the increasing consumption of fossil fuels, alternative fuels in internal combustion engines have attracted a lot of attention in recent years. Ethanol is the most common alternative fuel used in spark ignition (SI) engines due to its advantages of biodegradability, positively impacting emissions reduction as well as octane number improvement. Meanwhile, acetone is well-known as one of the industrial waste solvents for synthetic fibers and most plastic materials. In comparison to ethanol, acetone has a number of more desirable properties for being a viable alternative fuel such as its higher energy density, heating value and volatility.

Methanol has been regarded as a potential transportation fuel due to its advanced combustion characteristics and flexible source. However, it is suffering from misfire and high HC emissions problems under cold start and low load conditions either on methanol SI engine or on methanol/diesel dual fuel engine. Hydrogen is a potential addition that can enhance the combustion of methanol due to its high flammability and combustion stability. In the current work, the effect of hydrogen fraction on the laminar flame characteristics of methanol- hydrogen-air mixture under varied equivalence ratio was investigated on a constant volume combustion chamber system coupled with a schlieren setup. Experiments were performed over a wide range of equivalence ratio of the premixed charge, varied from 0.8 to 1.4, as well as different hydrogen fraction, 0%, 5%, 10%, 15% and 20% (n/n). All tests were carried out at fixed temperature and pressure of 400K and 0.1MPa.

An experimental investigation was conducted using a Ford single-cylinder spark-ignition research engine to compare the performance and emissions of neat n-butanol fuel to that of gasoline and ethanol. Measurements of brake torque and exhaust gas temperature along with in-cylinder pressure traces were used to study the performance of the engine and measurements of emissions of unburned hydrocarbons, carbon monoxide, and nitrogen oxide ere used to compare the three fuels in terms of combustion byproducts. It was found that gasoline and butanol are closest in engine performance with butanol producing slightly less brake torque. Exhaust gas temperature and nitrogen oxide measurements show that butanol combusts at a lower peak temperature. Of particular interest were the emissions of unburned hydrocarbons which were between two and three times those of gasoline suggesting that butanol is not atomizing as effectively as gasoline and ethanol.

A single nozzle port fuel injector was modified to apply electrostatic charge to the fuel stream, with the intention of studying electrostatically assisted sprays in a practical, port-injected engine. The modifications were kept external to the injector and involved placing an electrode and insulating liner over the tip of the injector. The performance of the modified injector, which combined pressure driven and electrostatic atomization, was characterized in three phases: the injector sprays themselves were studied, combustion of charged fuel droplets was studied, and the injector was installed and tested on a single cylinder spark ignition engine. In the first phase, Fraunhofer diffraction measurements of droplet size, and particle image velocimetry measurements of droplet velocity were performed. The charge transferred by the sprays was measured using an electrometer, and typical forces exerted on droplets in the sprays were estimated.

To face the challenges of fossil fuel shortage and air pollution problems, there is growing interest in the potential usage of alternative fuels such as bio-ethanol and bio-butanol in internal combustion engines. The literature shows that the acetone in the Acetone-Butanol-Ethanol (ABE) blends plays an important part in improving the combustion performance and emissions, owing to its higher volatility. In order to study the effects of acetone addition into commercial gasoline, this study focuses on the differences in combustion, performance and emission characteristics of a port-injection spark-ignition engine fueled with pure gasoline (G100), ethanol-containing gasoline (E30) and acetone-ethanol-gasoline blends (AE30 at A:E volumetric ratio of 3:1). The tests were conducted at 1200RPM with the default calibration (for gasoline), at 3 bar and 5 bar BMEP under various equivalence ratios.

A multi-step acetone-butanol-ethanol (ABE) phenomenological soot model was proposed and implemented into KIVA-3V Release 2 code. Experiments were conducted in an optical constant volume combustion chamber to investigate the combustion and soot emission characteristics under the conditions of 1000 K initial temperature with various oxygen concentrations (21%, 16%, 11%). Multi-dimensional computational fluid dynamics (CFD) simulations were conducted in conjunction under the same operation conditions. The predicted soot mass traces showed good agreement with experimental data. As ambient oxygen decreased from 21% to 11%, ignition delay retarded and the distribution of temperature became more homogenous. Compared to 21% ambient oxygen, the peak value of total soot mass at 16% oxygen concentration was higher due to the suppressed soot oxidation mechanism.

Alcohols, especially n-butanol, have received a lot of attention as potential fuels and have shown to be a possible alternative to pure gasoline. The main issue preventing butanol's use in modern engines is its relatively high cost of production. ABE, the intermediate product in the ABE fermentation process for producing bio-butanol, is being studied as an alternative fuel because it not only preserves the advantages of oxygenated fuels, but also lowers the cost of fuel recovery for individual component during fermentation. With the development of advanced ABE fermentation technology, the volumetric percentage of acetone, butanol and ethanol in the bio-solvents can be precisely controlled. In this respect, it is desirable to estimate the performance of different ABE blends to determine the best blend and optimize the production process accordingly.

An efficient multi-component fuel droplet vaporization model has been developed in this work using discrete approach. The precise modeling of droplet vaporization process is divided into two parts: vapor-phase and liquid-phase sub-models. Temporal evolution of flow inside the droplet is considered to describe the transient behavior introduced by the slow diffusion process. In order to account for the internal circulation motion, surface regression and finite diffusion without actually resolving the spatial governing equations within the liquid phase, a set of ordinary differential equations is applied to describe the evolution of the non-uniform distributions of universal diffusional variables, i.e. temperature and species mass fraction. The differences between the droplet surface and bulk mean states are modeled by constructing a quasi-1D frame; the effect of the internal circulations is taken into consideration by using the effective diffusivity rather than physical diffusivity.

A numerical investigation of air-fuel mixing in gasoline direct-injection (GDI) engines is presented in this paper. The primary goal of this study is to demonstrate the importance of fuel representation. In the past studies, fuel has been usually modeled as a single component substance. However, most fuels are mixtures of hydrocarbons with diverse boiling points, resulting in mixture vaporization behavior substantially different from single-component behavior. This study presents a newly developed multicomponent vaporization model, which takes into account important mechanisms such as preferential vaporization, internal circulation, surface regression, and non-ideal behavior in high-pressure environments. A sheet spray atomization model was also used to calculate the disintegration of the liquid sheet and the breakup of the subsequent droplets. The results of a single-component fuel representation and a multicomponent fuel representation were compared.

A new approach of NOx reduction in the compression-ignition engine is introduced in this work. The previous research has shown that during the combustion stage, the high temperature ignition tends to occur early at the near-stoichiometric region where the combustion temperature is high and majority of NOx is formed; Therefore, it is desirable to burn the leaner region first and then the near-stoichiometric region, which inhibits the temperature rise of the near-stoichiometric region and consequently suppresses the formation of NOx. Such inverted ignition sequence requires mixture with inverted phi-sensitivity. Fuel selection is performed based on the criteria of strong ignition T-sensitivity, negligible negative temperature coefficient (NTC) behavior, and large heat of vaporization (HoV).

This work presents a comprehensive computational study of diesel - natural gas (NG) dual fuel engine. A complete computational model is developed for the operation of a diesel - NG dual fuel engine modified from an AVL 5402 single cylinder diesel test engine. The model is based on the KIVA-3V program and includes customized sub-models. The model is validated against test cell measurements of both pure diesel and dual fuel operation. The effects of NG on ignition and combustion in dual fuel operation are analyzed in detail. Zero-dimensional computations with a diesel surrogate reaction mechanism are conducted to discover the effects of NG on ignition and combustion and to reveal the fundamental chemical mechanisms behind such effects. Backed by the detailed theoretical analysis, the engine operation parameters are optimized with genetic algorithm (GA) for the dual fuel operation of the modified AVL 5402 test engine.