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A comprehensive biodiesel combustion model is presented for use in multi-dimensional engine simulations. The model incorporates realistic physical properties in a vaporization model developed for multi-component fuel sprays and applies an improved mechanism for biodiesel combustion chemistry. Previously, a detailed mechanism for methyl decanoate and methyl-9-decenoate was reduced from 3299 species to 85 species to represent the components of biodiesel fuel. In this work, a second reduction was performed to further reduce the mechanism to 69 species. Steady and unsteady spray simulations confirmed that the model adequately reproduced liquid penetration observed in biodiesel spray experiments. Additionally, the new model was able to capture expected fuel composition effects with low-volatility components and fuel blend sprays penetrating further.

Striving for sustainable transportation solutions, hydrogen is often identified as a promising energy carrier and internal combustion engines are seen as a cost effective consumer of hydrogen to facilitate the development of a large-scale hydrogen infrastructure. Driven by efficiency and emissions targets defined by the U.S. Department of Energy, a research team at Argonne National Laboratory has worked on optimizing a spark-ignited direct injection engine for hydrogen. Using direct injection improves volumetric efficiency and provides the opportunity to properly stratify the fuel-air mixture in-cylinder. Collaborative 3D-CFD and experimental efforts have focused on optimizing the mixture stratification and have demonstrated the potential for high engine efficiency with low NOx emissions. Performance of the hydrogen engine is evaluated in this paper over a speed range from 1000 to 3000 RPM and a load range from 1.7 to 14.3 bar BMEP.

Despite recent advances towards powertrain electrification as a solution to mitigate pollutant emissions from road transport, synthetic fuels (especially e- fuels) still have a major role to play in applications where electrification will not be viable in short-medium term. Among e-fuels, oxymethylene ethers are getting serious interest within the scientific community and industry. Dimethoxy methane (OME1) is the smaller molecule among this group, which is of special interest due to its low soot formation. However, its application is still limited mainly due to its low lower heating value. In contrast, other fuel alternatives like hydrogenated vegetable oil (HVO) are considered as drop-in solutions thanks to their very similar properties and molecular composition to that of fossil diesel. However, their pollutant emission improvement is limited.

Use of ethanol as gasoline replacement can contribute to the reduction of nitrogen oxide (NOx) and carbon oxide (CO) emissions. Depending on ethanol production, significant reduction of greenhouse-gas emissions is possible. Concentration of certain species, such as unburned ethanol and acetaldehyde in the engine-out emissions are known to rise when ratio of ethanol to gasoline increases in the fuel. This research explores on hydrous ethanol fueled port-fuel injection (PFI) spark ignition (SI) engine emissions that contribute to photochemical formation of ozone, or so-called ozone precursors and the precursor of peroxyacetyl nitrates (PANs). The results are compared to engine operation on gasoline. Concentration obtained by FTIR gas analyzer, and mass-specific emissions of formaldehyde (HCHO), acetaldehyde (MeCHO) and methane (CH4) under two engine speed, four load and two spark advance settings are analyzed and presented.

The behavior of the engine-out UHC and CO emissions from a light-duty diesel optical engine operating at two PPCI conditions was investigated for fifteen different fuels, including diesel fuels, biofuel blends, n-heptane-iso-octane mixtures, and n-cetane-HMN mixtures. The two highly dilute (9-10% O₂) early direct injection PPCI conditions included a low speed (1500 RPM) and load (3.0 bar IMEP) case~where the UHC and CO have been found to stem from overly-lean fuel-air mixtures~and a condition with a relatively higher speed (2000 RPM) and load (6.0 bar IMEP)~where globally richer mixtures may lead to different sources of UHC and CO. The main objectives of this work were to explore the general behavior of the UHC and CO emissions from early-injection PPCI combustion and to gain an understanding of how fuel properties and engine load affect the engine-out emissions.

Today’s electric vehicle (EV) owners charge their vehicles mostly at home and seldom use public direct current fast charger (DCFCs), reducing the need for a large deployment of DCFCs for private EV owners. However, due to the emerging interest among transportation network companies to operate EVs in their fleet, there is great potential for DCFCs to be highly utilized and become economically feasible in the future. This paper describes a heuristic algorithm to emulate operation of EVs within a hypothetical transportation network company fleet using a large global positioning system data set from Columbus, Ohio. DCFC requirements supporting operation of EVs are estimated using the Electric Vehicle Infrastructure Projection tool. Operation and installation costs were estimated using real-world data to assess the economic feasibility of the recommended fast charging stations.

The 2001 FutureTruck competition involved 15 universities from across North America that were invited to apply a wide range of advanced technologies to improve energy efficiency and reduce greenhouse gas impact while producing near-zero regulated exhaust emissions in a 2000 Chevrolet Suburban. The modified vehicles designated as FutureTrucks demonstrated improvements in greenhouse gas emissions, tailpipe emissions, and over-the-road fuel economy compared with the stock vehicle on which they were based. The technologies represented in the vehicles included ICE-engines and fuel cell hybrid electric vehicle propulsion systems, a range of conventional and alternative fuels, advanced exhaust emissions controls, and light weighting technologies.

A central challenge for efficient auto-ignition controlled low-temperature gasoline combustion (LTGC) engines has been achieving the combustion phasing needed to reach stable performance over a wide operating regime. The negative valve overlap (NVO) strategy has been explored as a way to improve combustion stability through a combination of charge heating and altered reactivity via a recompression stroke with a pilot fuel injection. The study objective was to analyze the thermal and chemical effects on NVO-period energy recovery. The analysis leveraged experimental gas sampling results obtained from a single-cylinder LTGC engine along with cylinder pressure measurements and custom data reduction methods used to estimate period thermodynamic properties. The engine was fueled by either iso-octane or ethanol, and operated under sweeps of NVO-period oxygen concentration, injection timing, and fueling rate.

This paper analyzes four recent major studies carried out by MIT, a GM-led team, Directed Technologies, Inc., and A. D. Little, Inc. to assess advanced technology vehicles. These analyses appear to differ greatly concerning their perception of the energy benefits of advanced technology vehicles, leading to great uncertainties in estimating full-fuel-cycle (or “well-to-wheel”) greenhouse gas (GHG) emission reduction potentials and/or fuel feedstock requirements per mile of service. Advanced vehicles include, but are not limited to, advanced gasoline and diesel internal combustion engine (ICE) vehicles, hybrid electric vehicles (HEVs) with gasoline, diesel, and compressed natural gas (CNG) ICEs, and various kinds of fuel-cell based vehicles (FCVs), such as direct hydrogen FCVs and gasoline or methanol fuel-based FCVs.

Hydrogen is widely considered a promising fuel for future transportation applications for both, internal combustion engines and fuel cells. Due to their advanced stage of development and immediate availability hydrogen combustion engines could act as a bridging technology towards a wide-spread hydrogen infrastructure. Although fuel cell vehicles are expected to surpass hydrogen combustion engine vehicles in terms of efficiency, the difference in efficiency might not be as significant as widely anticipated [1]. Hydrogen combustion engines have been shown capable of achieving efficiencies of up to 45 % [2]. One of the remaining challenges is the reduction of nitric oxide emissions while achieving peak engine efficiencies. This paper summarizes research work performed on a single-cylinder hydrogen direct injection engine at Argonne National Laboratory.

Süd-Chemie Inc. is producing and supplying an autothermal reforming (ATR) catalyst that was developed by Argonne National Laboratory (ANL) for reforming hydrocarbon fuels to generate H2 for automotive fuel cell systems. The catalyst is derived from solid oxide fuel cell technology, where a transition metal is supported on an oxide-ion-conducting substrate, such as ceria or zirconia, that is doped with an un-reducible oxide, such as gadolinium or samarium, to improve its oxide ion conductivity and to increase the number of surface oxygen ion vacancies. The catalyst has been shown to produce an H2-rich gas (reformate) from a wide variety of hydrocarbon fuels, including methane, natural gas, and commercial-grade gasolines and diesels with high selectivity. Platinum was the transition metal used in the first generation of the ANL catalyst.

This paper studies autoignition characteristics and HCCI engine combustion of ketone fuels, which are important constituents of recently discovered fungi-derived biofuels. Two ketone compounds, 2,4-dimethyl-3-pentanone (DMPN) and cyclopentanone (CPN), are systematically investigated in the Sandia HCCI engine, and the results are compared with conventional gasoline and neat ethanol. It is found that CPN has the lowest autoignition reactivity of all the biofuels and gasoline blends tested in this HCCI engine. The combustion timing of CPN is also the most sensitive to intake-temperature (Tin) variations, and it is almost insensitive to intake-pressure (Pin) variations. These characteristics and the overall HCCI performance of CPN are similar to those of ethanol. In contrast, DMPN shows multi-faceted autoignition characteristics. On the one hand, DMPN has strong temperature-sensitivity, even at boosted Pin, which is similar to the low-reactivity ethanol and CPN.

The U.S. Renewable Fuel Standard (RFS2) requires an increase in the use of advanced biofuels up to 36 billion gallons by 2022. Longer chain alcohols, in addition to cellulosic ethanol and synthetic biofuels, could be used to meet this demand while adhering to the RFS2 corn-based ethanol limitation. Higher carbon number alcohols can be utilized to improve the energy content, knock resistance, and/or petroleum displacement of gasoline-alcohol blends compared to traditional ethanol blends such as E10 while maintaining desired and regulated fuel properties. Part I of this paper focuses on the development of scenarios by which to compare higher alcohol fuel blends to traditional ethanol blends. It also details the implementation of fuel property prediction methods adapted from literature. Possible combinations of eight alcohols mixed with a gasoline blendstock were calculated and the properties of the theoretical fuel blends were predicted.

Higher carbon number alcohols offer an opportunity to meet the Renewable Fuel Standard (RFS2) and improve the energy content, petroleum displacement, and/or knock resistance of gasoline-alcohol blends from traditional ethanol blends such as E10 while maintaining desired and regulated fuel properties. Part II of this paper builds upon the alcohol selection, fuel implementation scenarios, criteria target values, and property prediction methodologies detailed in Part I. For each scenario, optimization schemes include maximizing energy content, knock resistance, or petroleum displacement. Optimum blend composition is very sensitive to energy content, knock resistance, vapor pressure, and oxygen content criteria target values. Iso-propanol is favored in both scenarios' suitable blends because of its high RON value.

Previous work has shown that conventional diesel ignition improvers, 2-ethylhexyl nitrate (EHN) and di-tert-butyl peroxide (DTBP), can be used to enhance the autoignition of a regular-grade E10 gasoline in a well premixed low-temperature gasoline combustion (LTGC) engine, hereafter termed an HCCI engine, at naturally aspirated and moderately boosted conditions (up to 180 kPa absolute) with a constant engine speed of 1200 rpm and a 14:1 compression ratio. In the current work the effect of EHN on boosted HCCI combustion is further investigated with a higher compression ratio (16:1) piston and over a range of engine speeds (up to 2400 rpm). The results show that the higher compression ratio and engine speeds can make the combustion of a regular-grade E10 gasoline somewhat less stable. The addition of EHN improves the combustion stability by allowing combustion phasing to be more advanced for the same ringing intensity.

This study presents experimental and numerical examination of directly injected (DI) propane and iso-octane, surrogates for liquified petroleum gas (LPG) and gasoline, respectively, at various engine like conditions with the overall objective to establish the baseline with regards to fuel delivery required for future high efficiency DI-LPG fueled heavy-duty engines. Sprays for both iso-octane and propane were characterized and the results from the optical diagnostic techniques including high-speed Schlieren and planar Mie scattering imaging were applied to differentiate the liquid-phase regions and the bulk spray phenomenon from single plume behaviors. The experimental results, coupled with high-fidelity internal nozzle-flow simulations were then used to define best practices in CFD Lagrangian spray models.

Using natural gas in an internal combustion engine (ICE) is emerging as a promising way to improve thermal efficiency and reduce exhaust emissions. In the development of such engine platforms, computational fluid dynamics (CFD) plays a fundamental role in the optimization of geometries and operating parameters. One of the most relevant issues in the simulation of direct injection (DI) gaseous processes is the accurate prediction of the gas jet evolution. The simulation of the injection process for a gaseous fuel does not require complex modeling, nevertheless properly describing high-pressure gas jets remains a challenging task. At the exit of the nozzle, the injected gas is under-expanded, the flow becomes supersonic and shocks occur due to compressibility effects. These phenomena lead to challenging computational requirements resulting from high grid resolution and low computational time-steps.

Emissions from CI engines fueled with dimethyl ether (DME) were discussed in this paper. Thanks to its high content of fuel oxygen, DME combustion is virtually soot free. This characteristic of DME combustion indicates that the particulate filter will not be needed in the aftertreatment system for engines fueled with DME. NOx emissions from a CI engine fueled with DME can meet the US 2007 regulation with a high EGR rate. Because 49% more fuel mass must be delivered in each DME injection than the corresponding diesel-fuel injection, and the DME injection pressure is lower than 500 bar under the current fuel-system technology, the DME injection duration is generally longer than that of diesel-fuel injection. This is unfavorable to further NOx reduction. A multiple-injection strategy with timing for the primary injection determined by the cylinder temperature was proposed.

Long chain alcohols possess major advantages over the currently used ethanol as bio-components for gasoline, including higher energy content, better engine compatibility, and less water solubility. The rapid developments in biofuel technology have made it possible to produce C 4 -C 5 alcohols cost effectively. These higher alcohols could significantly expand the biofuel content and potentially substitute ethanol in future gasoline mixtures. This study characterizes some fundamental properties of a C 5 alcohol, isopentanol, as a fuel for HCCI engines. Wide ranges of engine speed, intake temperature, intake pressure, and equivalence ratio are investigated. Results are presented in comparison with gasoline or ethanol data previously reported. For a given combustion phasing, isopentanol requires lower intake temperatures than gasoline or ethanol at all tested speeds, indicating a higher HCCI reactivity.

Preliminary research in our laboratory has demonstrated that boric acid is an effective lubricant with an unusual capacity to reduce the sliding friction (providing friction coefficients as low as 0.02) and wear of metallic and ceramic materials. More recent studies have revealed that water or methanol solutions of boric acid can be used to prepare strongly bonded layers of boric acid on aluminum surfaces. It appears that boric acid molecules have a strong tendency to bond chemically to the naturally oxidized surfaces of aluminum and its alloys and to make these surfaces very slippery. Recent metal-formability tests indicated that the boric acid films applied to aluminum surfaces worked quite well, improving draw scale performance by 58 to 75%.