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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Performance of direct injected propane and gasoline in a high stroke-to-bore ratio SI engine: Pathways to diesel efficiency parity with ultra low soot

This work explores pathways to achieve diesel-like, high-efficiency combustion with stoichiometric 3-way catalyst compatible combustion in a single-cylinder spark ignition (SI) research engine. A unique high stroke-to-bore engine design (1.5:1) with cooled exhaust gas recirculation (EGR) and high compression ratio ( r c ) was used to improve engine efficiency by up to 30% compared with a production turbocharged gasoline direct injection spark ignition engine. Engine experiments were conducted with both 91 RON E10 gasoline and liquified petroleum gas (LPG) (i.e. autogas) and were compared to legacy gasoline data on the production engine. Geometric compression ratio ( r c ) of 13.3:1 was used for both fuels with additional experiments at 16.8:1 for LPG only. Measurements of exhaust soot particle size and number concentrations were made with both fuels. Significant reduction in soot particles across the whole particle size range were achieved with LPG due to the elimination of in-cylinder liquid films. The effects of EGR, late intake valve closing (IVC) and fuel characteristics were investigated through their effects on efficiency, combustion stability and soot production. Results of 47% gross thermal efficiency, and 45% net thermal efficiency at stoichiometric engine operation, at up to 17 bar IMEP and 2000 r/min with 16.8:1 r c were achieved with LPG. Estimated brake efficiency values were compared to a contemporary medium duty diesel engine illustrating the benefits of the chosen path for achieving diesel efficiency parity.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

The influence of thermochemistry on the reactivity of propane, the pentane isomers and $n$-heptane in the low temperature regime

In this study, the influence of thermochemistry on the reactivity of fuels at low temperatures (600–1000 K) is studied here. Specifically, the effect of different sets of thermochemistry on chemical model predictions is explored, where various sets are calculated at different levels of theory in addition to recently updated group additivity values. Experimentally measured ignition delay times for propane, the pentane isomers and n-heptane are simulated using NUIGMech1.2 and replacing the thermochemistry of the low-temperature species with the calculated values. For propane, three different thermochemistry sets were calculated, namely CCSD(T)-F12/TZ-F12//B2PLYP-D3/TZ//B2PLYP-D3/TZ (QM1), CCSD(T)-F12/TZ-F12//B2PLYP-D3/TZ//ωB97X-D/TZ (QM2) and B2PLYP-D3/TZ/ωB97X-D/6-31G*//ωB97X-D/6-31G* (QM3). The QM2 results provide parameters to optimize new group additivity (NGA) values which are used to calculate the fourth set of thermochemistry. The model predictions using these four sets are compared to those using NUIGMech1.2 for propane. As the QM1 and QM2 calculations are expensive, the thermochemistry calculated from the QM3 and NGA calculations are used in the pentane isomer and n-heptane models. For all of the models, it is found that the thermochemistry of the species involved in the low-temperature reaction sequence ($RH$, $\dot{R}$, $RO_2H$, $R\dot{O}_2$, $\dot{Q}OOH$ and $\dot{O}_2QOOH$ species) significantly affect fuel reactivity. The NGA values were developed based on all of these species except $\dot{O}_2QOOH$ radicals. The thermochemistry of $\dot{O}_2QOOH$ species cannot be accurately calculated with the NGA representations due to the importance of non-next-nearest neighbor interactions of –OOH substitution. Further development of the NGA method to capture such interactions is in progress. Overall, the model developed using the NGA thermochemistry shows better agreement with experimental data than the model using thermochemistry from affordable and prominent QM methods, such as QM3. Based on the results presented for propane, the pentane isomers and n-heptane, the thermochemistry calculated using the NGA method can be used to model the oxidation of higher order hydrocarbons at low temperatures.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Integrated Carbon Capture and Propane Oxidative Dehydrogenation for Olefins Production under Isothermal Conditions over Cr₂O₃-ZSM-5/CaO-CaZrO₃ Reactive Capture Materials

Converting captured CO₂ into fuels and marketable chemicals using bifunctional materials (BFMs) represents a promising sustainable solution. In this study, a BFM composed of a Cr₂O₃/ZSM-5 catalyst and a CaO-CaZrO₃ sorbent was developed and tested for the integrated CO₂-oxidative dehydrogenation of propane (CO₂-ODHP) in a fixed bed reactor. The CaO-CaZrO₃ sorbent, prepared using the citrate sol-gel method, demonstrated high CO₂ adsorption capacity and improved cyclic stability compared to pure CaO. The BFM achieved 23.5% propane conversion, 52.5% propylene selectivity, and 68.7% olefin selectivity at isothermal adsorption-reaction conditions (630-630 °C). Overall, this study provides insights into enhancing CO2 adsorption and developing materials for integrated CO2 capture and conversion.

Baamran, Khaled↗
DOE OSTI2024

Light Duty Engine Performance Characteristics with Dimethyl Ether and Propane

Here, this paper explores the performance characteristics of a compression ignition HYUNDAI 2.2L engine operating with Dimethyl Ether (DME). Test are carried out at three operating conditions that weigh heavily in the FTP75 certification cycle (1000rpm-12Nm, 1500rpm-50Nm, 2000rpm-100Nm). The engine features a high-pressure common rail fuel injection system designed to operate with liquified gases. The main component of the fuel system is a high-pressure pump that incorporates an electronic inlet metering valve commanded on a crank-angle base to control the rail pressure. The pump, which requires no pressure regulator, provides the flow needed to the injectors without flow returning to the inlet. This novel fueling system is leveraged in tests that are conducted to examine the impact of EGR, combustion phasing, injection pressure on efficiency and emissions. In addition, the impact of introducing 15% Propane by mass is examined. During the tests, the engine ECU is aided by an Engine Controller High Speed Oversight unit (ECHO) to provide combustion phasing control, improved cylinder-to-cylinder uniformity, and an effective optimization over the testing effort. The use of DME and Propane allowed for peak thermal efficiency of nearly 43%. These fuels enable significant carbon index (CI) reductions over the baseline Diesel fuel, with indications that 50% reduction in CO 2 over the Diesel engine are possible.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) (Technical Reference Manual V.4)

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, methane, and propane infrastructure and transportation systems. HyRAM+ is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ includes generic probabilities for equipment failures, probabilistic models for the impact of heat flux on humans and structures, and experimentally validated first-order models of release and flame physics. HyRAM+ integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impact on people and structures. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards. HyRAM+ is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in HyRAM+ version 4.0. The most significant change for HyRAM+ version 4.0 from HyRAM version 3.1 is the incorporation of other alternative fuels, namely methane (as a proxy for natural gas) and propane into the toolkit. This change necessitated significant changes to the installable graphical user interface as well as changes to the back-end Python models. A second major change is the inclusion of physics models for the overpressure associated with the delayed ignition of an unconfined jet/plume of flammable gas.

02 PETROLEUM↗
DOE OSTI2022

Multiscale modeling of hydrogenolysis of ethane and propane on Ru(0001): Implications for plastics recycling

Plastic waste presents an environmental threat. Chemical recycling via hydrogenolysis can convert plastic waste into waxes, lubricants, and fuels. Among catalysts, Ru stands out for its superior activity and selectivity. The chemistry of light alkane hydrogenolysis can help understanding plastics deconstruction. Here, we perform first-principles calculations, develop descriptor-based relations, and conduct microkinetic modeling and analysis on ethane and propane. Predictions are in excellent agreement with experimental data. We identify a similar cracking pattern for both hydrocarbons entailing a deeply dehydrogenated species with the removal of four hydrogen atoms: CHCH*+* → 2CH* for ethane and CH 3 CCH*+2* → CH 3 C* + CH* for propane. We find that the rate-determining step is the C-C cracking for ethane and the first dehydrogenation from the terminal carbon (CH 3 CH 2 CH 3 *+* → CH 3 CH 2 CH 2 *+H*) for propane. The vinyl species CH 2 CH* produced from propane cracking is responsible for whether a single or multiple cracking events occur and effectively controls the selectivity. Specifically, ethane formation in propane hydrogenolysis is suppressed at elevated temperatures due to over-cracking via multiple (two here) cracking events being preferred over hydrogenation and desorption of ethane from the catalyst. Our workflow and models provide a baseline for future studies on heavier hydrocarbons. Insights into recent experimental studies of polyethylene over Ru-based catalysts are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

EGR Dilution and Fuel Property Effects on High-Efficiency Spark-Ignition Flames

Modern spark ignition internal combustion engines rely on fast combustion rates and high dilution to achieve high brake thermal efficiencies. To accomplish this, new engine designs have moved towards increased tumble ratios and stroke-to-bore ratios. Increased tumble ratios correlate positively with increases in turbulent kinetic energy and improved fuel and residual gas mixing, all of which favor faster and more efficient combustion. Longer stroke-to-bore ratios allow higher geometric compression ratios and use of late intake valve closing to control peak compression pressures and temperatures. The addition of dilution to improve efficiency is limited by the resulting increase in combustion instabilities manifested by cycle-to-cycle variability. A number of effects - preferential diffusion, turbulence-combustion interactions, stochastic flow patterns, laminar-turbulent flame kernel transitions, and relative length and velocity scales between flame and turbulence - are believed to be responsible for the increase in cycle-to-cycle variations, where their contributions are likely interlinked. Several studies have shown the influence of stochastic flow characteristics on the nature of combustion instabilities, such as velocity patterns on flame kernel formation and cycle-to-cycle variations in residual gas. However, few have focused on the specific effects of fuel properties. The objective of this work is to contrast the effects of dilution on propane stoichiometric combustion against gasoline. Dilution tolerance experiments were conducted in a purpose-built high stroke-to-bore ratio single cylinder engine with both gasoline and LPG. Three-dimensional full cycle computational fluid dynamics (CFD) simulations employing a level-set combustion approach and Reynolds averaged Navier-Stokes (RANS) turbulence modeling was used to qualitatively assess the changes in length and velocity scales for turbulence and the flame. The experimental results showed that LPG can tolerate higher exhaust gas recirculation (EGR) dilution under a variety of conditions. Analysis of CFD simulations showed that propane flames are likely less sensitive to influences from the flow field due to less thickening of the flame and higher effective flame speeds.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Autoignition of Premixed Liquefied Petroleum Gas in a Rapid Compression Machine: Experimental Results and Chemical Kinetic Mechanism Reduction

Liquefied petroleum gas (LPG) has many properties that make it an attractive alternative fuel such as lower cost than conventional fuels and an established distribution infrastructure. The development of high efficiency, spark ignited LPG engines is currently limited by engine knock and misfire. The knock and misfire limits are further complicated by the wide range of chemical reactivity in LPG, particularly in international markets. In this study, a rapid compression machine (RCM) was used to characterize the effects of variation in LPG fuel reactivity, equivalence ratio, and exhaust gas recirculation (EGR) on autoignition of LPG/oxidizer/inert/EGR blends. Experiments were conducted with 100% propane (C3H8) and blends of propane with propene, ethane, isobutane, and n-butane. EGR was simulated with mixtures of Ar, CO2, CO, and NO at substitution percentages from 0 to 30 mass percent. Equivalence ratio was varied from 0.75 to 1.5. Ignition delay period under homogeneous autoignition conditions was measured at compressed pressures and temperatures of 23 to 25 bar and 701 to 921 K, respectively. Zero-dimensional simulations of the RCM experiments were performed using Chemkin with several detailed chemical kinetic mechanisms to determine their suitability at predicting ignition delay periods. Multiple reduced chemical kinetic mechanisms were created from the NUIGMech1.1 mechanism to determine the optimal balance between accuracy and computational efficiency for future three-dimensional, time-dependent spark-ignited engine computations.

42 ENGINEERING↗
DOE OSTI2022

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) Version 4.1 Technical Reference Manual

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, methane, and propane systems. HyRAM+ is designed to facilitate the use of state-of-the-art models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impacts on people. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards, and to provide developed models in a publicly-accessible toolkit usable by all stakeholders. This document provides a description of the methodology and models contained in HyRAM+ version 4.1. The two most significant changes for HyRAM+ version 4.1 from HyRAM+ version 4.0 are direct incorporation of unconfined overpressure into the QRA calculations and modification of the models for cryogenic liquid flow through an orifice. In QRA mode, the user no longer needs to input peak overpressure and impulse values that were calculated separately; rather, the unconfined overpressure is estimated for the given system inputs, leak size, and occupant location. The orifice flow model now solves for the maximum mass flux through the orifice at constant entropy while conserving energy, which does not require a direct speed of sound calculation. This does not affect the mass flow for all-gaseous releases; the method results in the same speed of sound for choked flow. However, this method does result in a higher (and more realistic) mass flow rate for a given leak size for liquid releases than was previously calculated.

08 HYDROGEN↗
DOE OSTI2023

Modeled Results of Four Residential Energy Efficiency Measure Packages for Deriving Advanced Building Construction Research Targets

The Advanced Building Construction (ABC) Initiative from the U.S. Department of Energy Building Technologies Office is working to accelerate industrialized construction innovations for decarbonizing buildings. To inform performance and cost targets for research under the ABC Initiative, this analysis used the ResStock™ tool to evaluate the energy savings, utility bill impacts, and carbon emissions impacts of four simulated upgrade packages with specific target performance levels on a large sample of residential dwelling units (approximately 550,000) representative of the U.S. housing stock.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) v.6.1

SAND2025-11565O HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) is a tool for conducting quantitative risk assessment (QRA) in transportation systems. HyRAM+ contains validated, simplified release behavior models, engineering models, and generic data relevant to hydrogen installations. HyRAM+’s platform integrates models and data to conduct QRA on user-defined hydrogen or other alternative fuel systems. The software will enable the international safety research community to add validated models to the HyRAM+ platform for use in QRAs. HyRAM (hydrogen-only) versions 1.0 to 3.1 were developed by Sandia for the Department of Energy (DOE) Hydrogen and Fuel Cell Technologies Office. The following agencies contributed to the development of HyRAM+ version 4.0 regarding the addition of methane (natural gas) and propane models: the DOE Vehicle Technologies Office and the Department of Transportation Pipeline and Hazardous Material Safety Administration. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Groth, Katrina [Sandia National Lab. (SNL-NM), Alb↗
DOE OSTI2022

Adoption of biofuels for marine shipping decarbonization: A long‐term price and scalability assessment

Abstract This study assessed the long‐term annual biofuel production capacity potential and price in the United States and shed light on the prospect of biofuel adoption for marine propulsion. A linear programming model was developed to assist the projections and provide insightful analyses. The projected long‐term (2040) maximum annual capacity of biofuels in the United States is 245 million metric tons (Mt) or 65 billion gallons of heavy fuel oil gallon equivalent (HFOGE) when based on the median feedstock availability. Between 2022 (near‐term) and 2040, the potential biofuel capacity increases by over 40%, attributed to increased feedstock availability. At a price range up to $500/t, biodiesel is the main product, and the annual capacity (12 Mt) is limited to feedstock availability constraints. Biodiesel and corn ethanol are the main biofuels at a price range up to $750/t. At a higher price point (above $750/t), the biofuel types and annual capacities increase substantially (218 Mt per year). Biofuels above this price include gasoline‐, jet‐, and diesel‐range blendstocks, as well as bio‐methanol, bio‐propane, and biogas. This study concludes that the US domestic feedstock availability coupled with advanced conversion technologies can produce substantial amounts of biofuels to achieve a critical mass and be impactful as alternative marine fuels. There is also a need to improve the biofuel price for marine shipping adoption. Policies and economic incentives that provide temporary financial support would help facilitate maritime biofuel adoption. © 2022 Alliance for Sustainable Energy, LLC. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.

09 BIOMASS FUELS↗
DOE OSTI2022

Clean Cities Coalitions: Advancing Affordable, Domestic Transportation Fuels and Technologies Across the Country

This fact sheet provides an overview of the U.S. Department of Energy's (DOE's) Vehicle Technologies Office Clean Cities Coalition Network, which advances affordable, domestic transportation fuels and technologies nationwide. More than 75 active coalitions serve as the foundation of Clean Cities, working in communities across the country to help local decision makers and fleets understand and implement alternative and renewable fuels, idle-reduction measures, fuel economy improvements, new mobility choices, and emerging transportation technologies. At the national level, VTO develops and promotes publications, tools, and other unique resources to support coordinators. At the local level, coalitions leverage these resources to create networks of stakeholders.

accomplishments↗
DOE OSTI2021

The evolving role of geothermal energy for decarbonizing the United States

Geothermal energy is often referred to as a niche technology that is too localized, too small or too expensive to make much of a difference in how renewable energy will be supplied in a fully decarbonized future. As a result, geothermal energy has been undervalued in terms of what it could provide to complement, rather than compete with, electricity generation from wind, solar photovoltaic, concentrating solar power and other renewables. Geothermal energy systems are fully dispatchable and can provide baseload or load-following electric power or heat suitable for a wide range of applications including supplying district heating for communities and cities, and heating and cooling of individual buildings. The focus of our study is on the potential of utilizing geothermal energy for providing heat for buildings and industry at lower temperatures, a substitute for the combustion of fossil fuels. Because heating represents about 20% (20 EJ per year) of the annual primary energy consumption in the U.S.—with most of it coming from burning natural gas, oil and/or propane in furnaces—deploying geothermal heating on a national scale could have a significant impact on lowering carbon emissions. In heating-dominated states in the U.S. Northern Tier, heating often is among the largest contributors to the state's carbon footprint. This review begins with a discussion of the motivation and rationale behind considering geothermal as a key low-carbon heating option for the U.S. The study summarizes the U.S. geothermal resource and describes the applications and main engineering components of using geothermal energy for heating and cooling, electric power generation, and co-generation using district heating, geothermal heat pumps, and power conversion with steam flashing and organic Rankine plants. Environmental benefits and impacts are described. An extensive discussion of geologic and thermal-hydraulic aspects of the subsurface is included in the review because of their critical role in determining reservoir designs at specific sites to ensure sufficient productivity that is both safe and economically viable. Models for estimating levelized costs of district heating are used to show how costs are affected by reservoir performance, infrastructure capital costs, and financial parameters. Here, the review concludes with an assessment of technical subsurface issues associated with reservoir performance and the economic requirements for providing geothermal heating in district heating systems at a sufficient scale to have an impact on decarbonizing the U.S.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Alternative Fueling Station Locations

Alternative fueling stations are located throughout the United States and Canada, and their availability continues to grow. The Alternative Fuels Data Center (AFDC) maintains a website where you can find alternative fueling stations near you or on a route, obtain counts of alternative fueling stations by state, view maps, and more. The most recent dataset available for download here provides a "snapshot" of the alternative fueling station information for compressed natural gas (CNG), ethanol (E85), propane/liquefied petroleum gas (LPG), biodiesel (B20 and above), electric vehicle charging, hydrogen, and liquefied natural gas (LNG), as of July 29, 2021.

alt fuel↗
DOE OSTI2021

Rheological Characterization of Biomass Feedstock for Alternative Energy Applications

With the increased necessity of alternative energy resources, bulk feedstock biomass materials were characterized with the purpose of replacing depleting energy supplies such as fossil fuels and other nonrenewable energy sources. Residual organic waste material (biomass) left over from agricultural processing and handling systems was recycled, and further investigated for renewable energy use. Understanding the scope of flowability for biomass material yielded more efficient, and economical crop harvesting, transporting, and storing method design for the agricultural industry. The effects of moisture on bulk solid flowability was investigated using a variety of parametric testing methods that measure basic flowability energy, and other properties such as compressibility and material resistance. In an industry where organic material is a wasteful byproduct, converting this biomass material into a new energy source and streamlining efficiently for innovative agricultural development supports a clean, renewable energy approach to everyday nonrenewable energy uses, such as oil, propane, and coal. As observed from the repeatable results from the investigated rheological material properties, biomass is an incredibly diverse material that requires modern engineering solutions to revolutionize biomass into a renewable energy source. Biomass will decarbonize petroleum (nonrenewable) derived fuels and chemicals, yielding recyclable carbon. This push to replace fossil fuels with recycled carbon is ideal because of the abundant, renewable, and otherwise agricultural waste of corn stover material. Decarburization, and reduction of C0 2 emissions reduces the effects of global warming.

09 BIOMASS FUELS↗
DOE OSTI2021

Chemical insights into the multi-regime low-temperature oxidation of di-n-propyl ether: Jet-stirred reactor experiments and kinetic modeling

To further understand the combustion characteristics and the reaction pathways of acyclic ethers, in this work the oxidation of di-n-propyl ether (DPE) was investigated in a jet-stirred reactor (JSR) combined with a photoionization molecular-beam mass spectrometer. The experiments were carried out at near-atmospheric pressure (700 Torr) and over a temperature range of 425–850 K. Based on the experimental data and previous studies on ether oxidation, a new kinetic model was constructed and used to interpret the oxidation chemistry of DPE. In DPE oxidation, a high reactivity at low temperatures and two negative temperature coefficient (NTC) zones were observed. These behaviors are explained in this work by taking advantage of the obtained species information and the modeling analyses: the two NTC zones are caused by the competition of chain branching and termination reactions of the fuel itself and specific oxidation intermediates, respectively. Furthermore, the general requirements to have double-NTC behavior are discussed. A variety of crucial fuel-specific C 6 species, such as ketohydroperoxides and diones, were detected in the species pool of DPE oxidation. Their formation pathways are illuminated based on rate-of-production (ROP) analyses. Propanal was identified as the most abundant small molecule intermediate, and its related reactions have an important impact on the oxidation process of DPE. Both acetic acid and propionic acid were detected in high concentrations. A new formation pathway of propionic acid is proposed and incorporated into the kinetic model to achieve a more accurate prediction for propionic acid mole fractions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗