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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Characterization of GDI PM during Vehicle Start-Stop Operation

As the fuel economy regulations increase in stringency, many manufacturers are implementing start-stop operation to enhance vehicle fuel economy. During start-stop operation, the engine shuts off when the vehicle is stationary for more than a few seconds. When the brake is released by the driver, the engine restarts. Depending on traffic conditions, start-stop operation can result in fuel savings from a few percent to close to 10%. Gasoline direct injection (GDI) engines are also increasingly available on light-duty vehicles. While GDI engines offer fuel economy advantages over port fuel injected (PFI) engines, they also tend to have higher PM emissions, particularly during start-up transients. Thus, there is interest in evaluating the effect of start-stop operation on PM emissions. In this study, a 2.5L GDI vehicle was operated over the FTP75 drive cycle. Runs containing cold starts (FTP-75 cycle Phases 1 & 2) and multiple runs containing hot starts (FTP-75 cycle Phases 3 & 4) were performed each day. Note that the FTP-75 Phases 3 & 4 are identical to Phases 1 & 2 except that the engine is warmed up. Three fuels were evaluated: an 87 AKI gasoline (E0), a 21% splash blend of ethanol and the 87 AKI gasoline (E21), and a 12% splash blend of iso-butanol and the 87 AKI gasoline (iBu12). PM mass, transient particle number concentration and size distribution, and soot mass concentration were evaluated for both start-stop operation and no start-stop operation on each fuel. Three Phase 1 & 2 cycles and as many as 27 Phase 3 & 4 cycles were performed for each fuel-mode combination. Composite FTP mass emissions for E0 and iBu12 showed increased total PM emissions with start-stop operation, but E21 showed no difference. Statistical analysis of the effects of start-stop on PM number and soot emissions showed different trends for different fuels. For example, when E0 is used with start-stop operation, the particle number decreased but the soot mass tended to increase. The results of this study have implications for hybrid vehicle operation as well because the internal combustion engine in hybrid vehicles must stop and re-start during normal operation.

Storey, John↗
DOE OSTI2024

Bioblendstocks to Optimize Mixing Controlled Compression Ignition (MCCI) Engines

In this project, a team of researchers from the University of Massachusetts Lowell, the University of Maine, and Mainstream Engineering developed an integrated process for the product of bioblendstocks to optimize mixing controlled compression ignition (MCCI) engines. The objective was to improve the energy density, sooting propensity, and cetane number of base diesel fuel while maintaining cold weather behavior. The process converts woody biomass (e.g. sawmill residues) into bio-oil through selective fast pyrolysis; the bio-oil is then selectively upgraded to form selectively oxygenated, minimally-branched hydrocarbons using non-noble metal catalysts in combination with metal-catalyzed hydrogenation. Advanced predictive models, in conjunction with existing property databases, and experimental testing are used to evaluate overall bioblendstock properties and their impact on base diesel fuel. An iterative, targeted upgrading approach was implemented to optimize the proposed bioblendstock’s properties. Assessment methodologies included techno-economic analysis, life-cycle assessment, property testing, and engine testing. Ultimately, the project team successfully produced a viable bioblendstock while identifying critical process points related to scale-up efforts. It was found that producing pyrolysis oils at 500 degrees C and with pine particle sizes of 1-2 mm led to bio-oil with a higher yield (of approximately 45 wt%) and rich amounts of aromatic alcohols. The resultant pyrolysis oil was then upgraded using a sequence of mild hydrotreating, followed by catalytic etherification and esterification, followed by another final mild hydrotreating to produce a blendstock containing saturated species with a limited, but non-zero, amount of oxygen. The aromatic alcohols produced by pyrolysis were especially helpful in this regard, as the resulting bicycloethers and derivatives exhibited high cetane numbers. While most bulk properties of the bioblendstock met or exceeded targeted thresholds, viscosity and cloud point notably fell outside the expected range; this could be addressed by blending limits and/or through the use of additives that are commonplace in current refinding practices. Identification of a bioblendstock that can be produced economically at scale while improving the performance and emissions characteristics of internal combustion engines positively affects the economy by boosting domestic fuel production and the environment by decreasing harmful emissions and increasing efficiency.

09 BIOMASS FUELS↗
NASA NTRSDate not supplied

Integral Channel Nozzles and Heat Exchangers using Additive Manufacturing Directed Energy Deposition NASA HR-1 Alloy

Heat exchangers for use in propulsion applications are very critical components because they must be efficient, compact and light and often operate with working fluids at extreme temperatures or pressures or both. Various components and systems use heat exchangers such as combustion chambers of gas turbines and internal combustion engines, fuel cells (air supply and thermal management), electric batteries (thermal management), evaporators and recuperators of waste-heat-to-power systems, and rocket engines. Even if the results are more generally applicable, the heat exchangers applications to which this study is more closely related are regeneratively cooled rocket nozzles and chambers, and repressurization systems for the launch vehicles. These components are often thin-walled and contain pressurized fluids, like propellants at cryogenic or elevated temperatures. Given that the environments that these propulsion components must endure are challenging, the manufacturing to meet these specifications often require long lead times due to specialty processes and unique tooling associated with the combined thin-wall integral channel and large-scale structures. Additive manufacturing (AM) offers programmatic advantages for reduction in processing time and cost in addition to various technical advantages, including the possibility to achieve enhanced hardware complexity targeted to superior performance, part consolidation, and the capability of processing of novel alloys. While AM is already being utilized for heat exchanger components in propulsion applications, almost all these AM components are made by means of Laser Powder Bed Fusion (L-PBF). L-PBF allows for fine features but is rather limited with respect to the overall size of the components that can be manufactured. Recent developments are maturing the Laser Powder Directed Energy Deposition (LP-DED) process which may be used, for example, to make integral channel thin-wall regeneratively-cooled rocket nozzles with diameters greater than 1 m. This paper highlights some integral channel heat exchanger demonstrator hardware applications of LP-DED, as well as the characterization of this process in combination with the use of the NASA HR-1 alloy. To properly utilize LP-DED for heat exchanger manufacturing, various aspects are being characterized such as geometry limitations, measurement of surface texture and geometric angled surfaces, surface enhancements for internal channels, and material evaluation. NASA HR-1 (FeNi-Cr) is a high strength hydrogen resistant superalloy developed for use in aerospace applications, such as heat exchangers. Some aspects and considerations about the design of heat exchangers are summarized together with data relevant to LP-DED manufacturing in combination with the NASA HR-1 alloy. Microchannels were successful deposited down to 2.54 mm and 1 mm wall thickness, wall angles of 30°, both with high reproducibility. It was also found that the areal surface roughness is highly dependent on the size of the powder feedstock used for deposition. The characterization of these LP-DED features is critical for fluid flow and heat transfer predictions as it can be exploited to enhance heat transfer at the cost of increased pressure drop.

Additive Manufacturing↗
NASA NTRSDate not supplied

Integral Channel Nozzles and Heat Exchangers using Additive Manufacturing Directed Energy Deposition NASA HR-1 Alloy

Heat exchangers for use in propulsion applications are very critical components because they must be efficient, compact and light and often operate with working fluids at extreme temperatures or pressures or both. Various components and systems use heat exchangers such as combustion chambers of gas turbines and internal combustion engines, fuel cells (air supply and thermal management), electric batteries (thermal management), evaporators and recuperators of waste-heat-to-power systems, and rocket engines. Even if the results are more generally applicable, the heat exchangers applications to which this study is more closely related are regeneratively cooled rocket nozzles and chambers, and repressurization systems for the launch vehicles. These components are often thin-walled and contain pressurized fluids, like propellants at cryogenic or elevated temperatures. Given that the environments that these propulsion components must endure are challenging, the manufacturing to meet these specifications often require long lead times due to specialty processes and unique tooling associated with the combined thin-wall integral channel and large-scale structures. Additive manufacturing (AM) offers programmatic advantages for reduction in processing time and cost in addition to various technical advantages, including the possibility to achieve enhanced hardware complexity targeted to superior performance, part consolidation, and the capability of processing of novel alloys. While AM is already being utilized for heat exchanger components in propulsion applications, almost all these AM components are made by means of Laser Powder Bed Fusion (L-PBF). L-PBF allows for fine features but is rather limited with respect to the overall size of the components that can be manufactured. Recent developments are maturing the Laser Powder Directed Energy Deposition (LP-DED) process which may be used, for example, to make integral channel thin-wall regeneratively-cooled rocket nozzles with diameters greater than 1 m. This paper highlights some integral channel heat exchanger demonstrator hardware applications of LP-DED, as well as the characterization of this process in combination with the use of the NASA HR-1 alloy. To properly utilize LP-DED for heat exchanger manufacturing, various aspects are being characterized such as geometry limitations, measurement of surface texture and geometric angled surfaces, surface enhancements for internal channels, and material evaluation. NASA HR-1 (FeNi-Cr) is a high strength hydrogen resistant superalloy developed for use in aerospace applications, such as heat exchangers. Some aspects and considerations about the design of heat exchangers are summarized together with data relevant to LP-DED manufacturing in combination with the NASA HR-1 alloy. Microchannels were successful deposited down to 2.54 mm and 1 mm wall thickness, wall angles of 30°, both with high reproducibility. It was also found that the areal surface roughness is highly dependent on the size of the powder feedstock used for deposition. The characterization of these LP-DED features is critical for fluid flow and heat transfer predictions as it can be exploited to enhance heat transfer at the cost of increased pressure drop.

additive manufacturing↗
DOE OSTI2019

Extreme Fast Charging of Lithium-Ion Battery: Understanding Bottlenecks and Safety Issues

Currently, graphite-based lithium-ion battery (LIB) packs in the electric vehicle (EV) domain can accommodate a charging rate up to 2C, which translates into a 0.5 to 1h recharge time [1-2]. Reducing the recharge time down to 10-15 min range would reduce the gap between the internal combustion engine’s refueling time and EV’s recharge time. Minimizing this gap is seen as attractive to consumers and would eventually enhance the adoption of EVs [1-3]. Significant research activity has been going on globally to understand the scientific limitations associated with high rate charging [4-6]. Extreme fast charging (XFC) of Li-ion batteries can create LIB life and safety issues [1, 7]. Among the issues are shortened battery life and enhanced safety concerns due to potential short creation by Li dendrites [1-2]. The detection and monitoring of Li plating onset and evolution over aging is a significant challenge. In-operando detection schemes to understand the dynamics of Li plating and the role that aging has on Li plating are vital to enable fast charging of specific energy cells. A key to the effort would be understanding the interplay between materials, electrode structure, and use conditions. This presentation will discuss the key bottlenecks of aggressive fast charging (~10 min). In particular, how extreme fast charging impacts individual battery components as well as the overall battery’s performance, life, and safety will be presented in light of experimental results and analysis. The effectiveness and challenges of in-operando electrochemical detection methods in aggressive charging conditions shall also be discussed. References [1] S. Ahmed, I. Bloom, A. N. Jansen, T. R. Tanim, E. J. Dufek, A. Pesaran, A. Burnham, R. B. Carlson, F. Dias, K. Hardy,M. Keyser, C. Kreuzer, A. Markel, A. Meintz, C. Michelbacher, M. Mohanpurkar, P. A. Nelson, D. C. Robertson, D. Scoffield,M. Shirk, T. Stephens, R. Vijayagopal, J. Zhang, Enabling fast charging–A battery technology gap assessment, J Power Sources,367 (2017), 250-262 [2] T.R. Tanim, M. G. Shirk, R. L. Bewley, E. J. Dufek, B. Y. Liaw, Fast charge implications: Pack and cell analysis and comparison,, J Power Sources, 381 (2018) 56-65 [3] N. Lutsey, S. Searle, S. Chambliss, and A. Bandivadekar, Assessment of leading electric vehicle promotion activities inUnited States cities, International Council on Clean Transportation, July 2015 [4] C. Michelbacher, S. Ahmed, I. Bloom, A. Burnham, B. Carlson, F. Dias, E. J. Dufek, A. N Jansen, M. Keyser, A. Markel,A. Meintz, M. Mohanpurkar, A. Pesaran, D. Scoffield, M. Shirk, T. Stephens, T. R. Tanim, R. Vijayagopal, J. Zhang, Enablingfast charging–Introduction and overview, J Power Sources, [5] E-Mobility: New Possibilities with 800-volt charging, Porsche newsroom, https://newsroom.porsche.com/en/technology/porsche-engineering-e-power-electromobility-800-volt-charging-12720.html(accessed Sep 2017) [6] Charging interface initiative e.V. - Industry statement on future charging infrastructure, available at: http://www.charinev.org/fileadmin/Downloads/Papers_and_Regulations/CharIN_industry_statement.pdf(accessed June 2017) [7] T. Waldmann, B. Hogg,M. Kasper, S. Grolleau, C. Couceiro, K. Trad, B. P. Matadi and M. Wohlfahrt-Mehrens, Interplay ofOperational Parameters on Lithium Deposition in Lithium-Ion Cells: Systematic Measurements with Reconstructed 3-ElectrodePouch Full Cells, J. Electrochem. Soc. 163 (7) (2016) A1232-A1238

25 ENERGY STORAGE↗
DOE OSTI2022

An indirect approach to optimize the reaction rates of thermal NO formation for diesel engines

With stringent emission regulations, it has become more important for modern diesel engine manufacturers to accurately predict engine-out nitrogen oxide (NO x ) emissions across a wide range of operating conditions. Thermal NO is the major source of engine-out NO x in modern diesel engines. For thermal NO formation, several earlier studies have recommended the forward and reverse reaction rate coefficients of the rate-limiting reaction (O + N 2 ⇌ NO + N). However, due to deficiencies in sub-models and inadequacies of reduced chemical mechanisms to represent diesel combustion, these recommended values more often than not need to be adjusted in reduced order combustion models to accurately predict engine-out NO x . Hence, in this work a systematic and computationally efficient approach has been proposed to streamline the process of determining the optimum reaction rate coefficients. Here, to develop the optimization approach, four different production diesel engines with different operating conditions in terms of speed, load, and exhaust-gas recirculation have been considered. Numerical simulations have been performed using a detailed zero-dimensional velocity-composition-frequency transported probability density function (0D-VCF-tPDF) model that uses hundreds of notional particles to capture in-cylinder stratification. Four different combinations of hydrocarbon and NO x chemical mechanisms were used to represent chemistry. It was found that for the rate-limiting reaction, the pre-exponent factors (A f1 , A r1 ) and activation energies (E A,f1 , E A,r1 ) of the forward and reverse reaction rates follow a linear band in A f1 - E A,f1 and A r1 - E A,r1 space where predicted engine-out NO x match the measured values closely. By encompassing such bands from different engines and considering constraints on activation energies, a reduced search domain of pre-exponent factors and activation energies was constructed that is expected to be applicable to any diesel engine. Eventually, computationally efficient three-line and one-line search approaches were proposed to determine the optimum values of the pre-exponent factors and activation energies that led to a minimum error between measured and predicted engine-out NO x . Finally, these three-line and one-line NO x optimization approaches were applied to a fifth production diesel engine for which the 0D-VCF-tPDF model showed a very good predictive performance in terms of predicting peak pressure, 50% burn rate, and engine-out NO x when compared to measured and 3D-CFD values.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Sustainable Electric Vehicle Batteries for a Sustainable World: Perspectives on Battery Cathodes, Environment, Supply Chain, Manufacturing, Life Cycle, and Policy

Abstract Li‐ion batteries (LIBs) can reduce carbon emissions by powering electric vehicles (EVs) and promoting renewable energy development with grid‐scale energy storage. However, LIB production and electricity generation still heavily rely on fossil fuels at present, resulting in major environmental concerns. Are LIBs as environmentally friendly and sustainable as expected at the current stage? In the past 5 years, a skyrocketing growth of the EV market has been witnessed. LIBs have garnered huge attention from academia, industry, government, non‐governmental organizations, investors, and the general public. Tremendous volumes of LIBs are already implemented in EVs today, with a continuing, exponential growth expected for the years to come. When LIBs reach their end‐of‐life in the next decades, what technologies can be in place to enable second‐life or recycling of batteries? Herein, life cycle assessment studies are examined to evaluate the environmental impact of LIBs, and EVs are compared with internal combustion engine vehicles regarding environmental sustainability. To provide a holistic view of the LIB development, this Perspective provides insights into materials development, manufacturing, recycling, legislation and policy, and beyond. Last but not least, the future development of LIBs and charging infrastructures in light of emerging technologies are envisioned.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effects of Turbulence and Temperature Fluctuations on Knock Development in an Ethanol/Air Mixture

The effects of turbulence on knock development and intensity for a thermally inhomogeneous stoichiometric ethanol/air mixture at a representative end-gas autoignition condition in internal combustion engines are investigated using direct numerical simulations with a skeletal reaction mechanism. Two- and three-dimensional simulations are performed by varying the most energetic length scale of temperature, \(l_T\) , and its relative ratio with the most energetic length scale of turbulence, \(l_T/l_e\) , together with two different levels of the turbulent velocity fluctuation, \(u'\) . It is found that \(l_T\) / \(l_e\) and the ratio of ignition delay time to eddy-turnover time, \(\tau _{ig}/\tau _t\) , are the key parameters that control the detonation development. An increase in either \(l_T\) or \(l_e\) enhances the detonation propensity by allowing a longer run-up distance for the detonation development. The characteristic length scale of the temperature field, \(l_T\) , is significantly modified by high turbulence intensity achieved by a large \(l_e\) and \(u'\) . The intense turbulence mixing effectively distributes the initial temperature field to broader scales to support the developing detonation waves, thereby increasing the likelihood of the detonation formation. On the contrary, high turbulence intensity with a short mixing time scale, achieved by a small \(l_e\) and a large \(u'\) , reduces the super-knock intensity attributed to the finer broken-up structures of detonation waves. Either \(\tau _{ig}/\tau _t\) less than unity or \(l_e = l_T\) even with a large \(u'\) is found to have no significant effect on super-knock mitigation. Finally, high turbulent intensity may induce high-pressure spikes comparable to the von Neumann spike. Overall, increased temperature and pressure by combustion heating, noticeably after the peak of heat release rate, significantly enhance the collision and interaction of multiple emerging autoignition fronts near the ending combustion process, resulting in localized high-pressure spikes.

42 ENGINEERING↗
DOE OSTI2022

The contribution of bioenergy to the decarbonization of transport: a multi-model assessment

The expected growth in the demand for passenger and freight services exacerbates the challenges of reducing transport GHG emissions, especially as commercial low-carbon alternatives to petroleum fuels are limited for shipping, air and long-distance road travel. Biofuels can offer a pathway to significantly reduce emissions from these sectors, as they can easily substitute for conventional liquid fuels in internal combustion engines. In this paper, we assess the potential of bioenergy to reduce transport GHG emissions through an analysis leveraging various integrated assessment models and scenarios, as part of the 33rd Energy Modeling Forum study (EMF-33). Furthermore, we find that bioenergy can contribute a significant, albeit not dominant, proportion of energy supply to the future transport sector: in scenarios aiming to keep the temperature increase below 2 °C by the end of the twenty-first century, models project that in 2100 bioenergy can provide on average 42 EJ/yr (ranging from 5 to 85 EJ/yr) for transport (compared to 3.7 EJ in 2018), mainly through lignocellulosic fuels. This makes up 9–62% of final transport energy use. Only a small amount of bioenergy is projected to be used in transport through electricity and hydrogen pathways, with a larger role for biofuels in road passenger transport than in freight. The association of carbon capture and storage (CCS) with bioenergy technologies (BECCS) is a key determinant in the role of biofuels in transport, because of the competition for biomass feedstock to provide other final energy carriers along with carbon removal. Among models that consider CCS in the biofuel conversion process the average market share of biofuels is 21% in 2100 (ranging from 2 to 44%), compared to 10% (0–30%) for models that do not. Cumulative direct emissions from the transport sector account for half of the emission budget (from 306 to 776 out of 1,000 GtCO 2 ). However, the carbon intensity of transport decreases as much as other energy sectors in 2100 when accounting for process emissions, including carbon removal from BECCS. Lignocellulosic fuels become more attractive for transport decarbonization if BECCS is not feasible for any energy sectors. Since global transport service demand increases and biomass supply is limited, its allocation to and within the transport sector is uncertain and sensitive to assumptions about political as well as technological and socioeconomic factors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Droplet Evaporation-Based Approach for Microliter Fuel Property Measurements

Small-volume, high-throughput screening techniques are sought to enable downselection from a large candidate pool of bio-blendstocks to a select few, having physical properties consistent with requirements of downsized, turbo-boosted internal combustion engines. Herein, this work presents a droplet evaporation-based approach to predict heat of vaporization, vapor pressure, diffusion coefficient, and Lennard–Jones parameters for an unknown fuel. Two different schemes, considering the isothermal evaporation of a moving droplet in ambient air, are proposed, which combine droplet velocity and temperature measurements, with some known properties to predict unknown properties. The schemes utilize an inverse solution of a transient model of droplet evaporation solved in an iterative fashion. A baseline scheme, which only requires droplet size change measurements, is evaluated using test data for three liquid fuels, comprising of alkanes and alcohols, as obtained in a temperature-controlled chamber. Results yield temperature-dependent heat of vaporization and vapor pressure predictions within 10 % and 22 %, respectively, of reference values. The advanced scheme, which additionally requires droplet temperature measurement, is numerically evaluated in the current work and will be experimentally validated in future efforts. The advanced scheme is found to significantly improve prediction quality, with deviations less than 2 % and 1 % for heat of vaporization and vapor pressure, while also predicting diffusion coefficient and Lennard–Jones parameters within 5 % and 8 %, respectively. The combined set of approaches, which primarily track droplet evaporation, can be incorporated into a small-volume, high-throughput fuel screening process.

09 BIOMASS FUELS↗
DOE OSTI2022

Experiments and modeling to evaluate global reaction kinetics of three-way catalyst light off for net-zero carbon fuels and selected fuel blends

Internal combustion engine exhaust composition can have a significant impact on the light-off characteristics of CO, NO, and organics in the three-way-catalyst during cold-start. The U.S. Department of Energy’s Co-Optimization of Fuels and Engines initiative was aimed at developing new high-performance fuels, which raises the question of how current three-way-catalysts will perform if the exhaust composition is significantly changed. This work is aimed at quantifying the performance of the catalyst under a variety of different fuel components and mixtures. To this end, a reduced-order model is developed wherein the set of organics examined are placed into molecular groups based on their reactivities and to model each organic within that group with a common kinetic expression. In conclusion, this strategy allows for a first approximation to the light-off characteristics of all organics that fall within that group and to make predictions for fuel blends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Range cost-effectiveness of plug-in electric vehicle for heterogeneous consumers: An expanded total ownership cost approach

Plug-in electric vehicles (PEV) appears to have sales momentum in major personal vehicle markets but are still at the early market stage. Opportunities to accelerate PEV adoption can be discovered through comprehensive total cost of ownership (TCO) analysis. Understanding the cost-effective electric ranges of PEVs for consumers, manufacturers, and the society is critical for any discussion of PEV mass markets. This study expanded the traditional TCO approach by (1) fully considering heterogeneous consumer driving patterns, (2) quantifying the charging inconvenience and range anxiety cost of battery-electric vehicles (BEVs), and (3) monetizing both tangible and intangible PEV policies. Uncertainties were handled through Monte Carlo simulation. The results suggest that BEVs with an electric range of 250–350 km have the lowest TCO in cities with government-enacted purchase limitations, and internal combustion engine vehicles (ICEVs) have the lowest TCO in cities without purchase limitations, even when considering PEV subsidies. The lowest TCO for some consumer groups is obtained by BEVs with an electric range of 400–450 km, especially in northern China, where the weather is colder. The cost-effective all-electric range for BEVs in each city in 2025 will decrease due to improved battery performance in cold environments and an expanded charging infrastructure. Finally, based on TCO, plug-in hybrid electric vehicles (PHEVs) are currently more suitable for drivers with a high average daily mileage or a large mileage variance. However, by 2025, BEVs with a long driving range may become a more cost-effective choice for these drivers.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Effect of water droplet growth dynamics on electrode current in fuel-cell catalyst layers

Fuel cells are a promising next-generation energy-conversion technology designed to replace internal combustion engines in transportation applications. However, much work remains to optimize them. Operation at high humidities causes liquid water droplet formation on Pt catalyst particles during oxygen reduction, potentially impeding reactant arrival to the reactive electrode. In this work, four different cases of water droplet growth in fuel-cell catalyst layers are considered: pinned or advancing droplets on a bare Pt surface, advancing droplets on a Nafion film, and water-layer growth in carbon nanopores. Transient drop growth is captured with a combination of mass, species mass, and momentum balances, and the subsequent limiting current is determined via oxygen diffusion and Tafel kinetics. Further, water droplets are found not to be mass-transfer limiting due to the relatively large liquid-gas area compared to the Pt nanoparticle. Mass-transfer-limited behavior is calculated in carbon nanopores.

25 ENERGY STORAGE↗
DOE OSTI2015

Ignition regimes in rapid compression machines

A rapid compression machine is an experimental apparatus used to study ignition chemistry at conditions that are relevant to internal combustion engines and gas turbines. However, due to the operating characteristics of these devices, heat transfer effects and inhomogeneous ignition events can be encountered. Hence, this paper develops a combustion regime diagram, which incorporates these effects in order to better understand physical in uences on the measurements. This diagram employs familiar Damkohler number and Reynolds number scaling, and seeks to provide an operational guide for rapid compression machine experiments. This diagram is compared to experimental data and good agreement is found.

Heat transfer↗
DOE OSTI2018

Low temperature autoignition of 5-membered ring naphthenes: Effects of substitution [Low temperature autoignition study of substituted 5-membered ring naphthenes]

The development and design of future internal combustion engines requires fundamental understanding and the capability to model the autoignition and pollutant formation behavior of petroleum-based and other fuels. Naphthenes are an important constituent of gasoline, and they can comprise larger portions of unconventionally-derived gasoline. There is a lack of data and validated models for 5-membered ring naphthenes. In this work, the autoignition characteristics of cyclopentane, and two of its substituted analogues, methylcyclopentane, and ethylcyclopentane are investigated using a twin-piston rapid compression machine. Each fuel is studied at engine-representative conditions: 20, 50 bar and 700-980K, with mixtures containing stoichiometric fuel/oxygen ratios at various extents of dilution with inert gases. Negative temperature coefficient (NTC) behavior is observed for cyclopentane, though first-stage ignition and associated low temperature heat release behavior are only evident at temperatures below that for the transition to NTC. Pressure is found to have a larger impact on the reactivity than oxygen dilution, with both effects amplified in the NTC region. The cyclopentane experiments in this study are challenged by the sensitivity of this molecule to non-uniform, or mild ignition phenomena within the NTC region. The addition of saturated sidechains in methyl- and ethylcyclopentane significantly increases the reactivity of the molecules, especially at low temperature and NTC conditions. At the highest temperatures though, there is little difference between the three naphthenes. Typical two-stage ignition behavior is observed across a wide range of temperatures for these alkyl cyclopentanes with no mild ignition observed within the NTC region. A recently developed model for cyclopentane is extended to include reactions for methylcyclopentane, and this is used to simulate the new experiments. The simulation results indicate that low temperature reactivity of cyclopentane is dominated by HO 2 elimination of the RO 2 species producing cyclopentene, and this inhibits autoignition since it is a very stable molecule. When a methyl group is substituted on the ring, additional RO 2 isomerization pathways are available, and these substantially increase the fuel reactivity. HO 2 elimination is also important with methylcyclopentane, and this leads to significant production of cyclic olefins which can further react to produce diolefins. Furthermore, these findings are consistent with observations that have been made in other experimental apparatuses.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Effect of nitric oxide and exhaust gases on gasoline surrogate autoignition: iso-octane experiments and modeling

Exhaust gas recirculation (EGR) is widely used in advanced internal combustion engines to reduce engine emissions as well as control combustion phasing. Among various species present in EGR gases, CO 2 and H 2 O are two major components that can thermally and chemically affect fuel autoignition. It is of fundamental interest to isolate the thermal and chemical effects of CO 2 and H 2 O on fuel autoignition, especially as such an effort has not been reported in the literature. Moreover, nitric oxide (NO) is known to exhibit strong chemical effects on fuel autoignition, which in turn affects engine combustion phasing. The effects of ultra-low NO addition (< 100 ppm) on fuel autoignition at low temperatures are also not well understood. Recognizing these problems, autoignition experiments of iso-octane (a major gasoline surrogate component) in air are performed in this study using a rapid compression machine at varying compressed pressures, equivalence ratios, dilution levels with an EGR gas analogue (consisting of CO 2 , H 2 O, O 2 , and N 2 ) and N 2 only, and varying amounts of NO addition. Furthermore, the thermal and chemical effects of the EGR gas analogue are isolated and evaluated by comparing the ignition delay time datasets of EGR and N2-only diluted cases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A wide range experimental and kinetic modeling study of the oxidation of 2,3-dimethyl-2-butene: Part 1

2,3-Dimethyl-2-butene (TME) is a potential fuel additive with high research octane number (RON) and octane sensitivity (S), which can improve internal combustion engine performance and efficiency. However, the combustion characteristics of TME have not been comprehensively investigated. Thus, it is essential to study the combustion characteristics of TME and construct a detailed chemical kinetic model to describe its combustion. In this paper, two high-pressure shock tubes and a constant-volume reactor are used to measure ignition delay times and laminar flame speeds of TME oxidation. Further, the ignition delay times were measured at equivalence ratios of 0.5, 1.0, and 2.0 in “air”, at pressures of 5 and 10 bar, in the temperature range of 950 – 1500 K. Flame speeds of the TME/ “air” mixtures were measured at atmospheric pressure, at a temperature of 325 K, for equivalence ratios ranging from 0.78 to 1.31. Two detailed kinetic mechanisms were constructed independently using different methodologies; the KAUST TME mechanism was constructed based on NUIGMech1.1, and the MIT TME mechanism was built using the Reaction Mechanism Generator (RMG). Both mechanisms were used to simulate the experimental results using Chemkin Pro. In the present work, reaction flux and sensitivity analyses were performed using the KAUST mechanism to determine the critical reactions controlling TME oxidation at the conditions studied.

33 ADVANCED PROPULSION SYSTEMS↗