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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Collaborative Proposal: Improving understanding of the internal structure and dynamics of deep convection using ARM observations and large eddy simulations

Recent observational and large eddy simulation (LES) modeling studies have nearly unanimously supported the view of deep cumulus convection being composed of a series of quasi-spherical bubbles of buoyant air, known as moist thermals. Despite the prevalence of moist thermals in deep convection, a comprehensive theory for the dynamics of these structures is lacking. Most current conceptual models for cumulus convection are based on canonical scaling theories for dry thermals or plumes; however, there is considerable evidence that the behavior of moist thermals differs markedly from these theories. Furthermore, the theoretical basis for most cumulus parameterizations originates from the plume conceptual model, and therefore these parameterizations are inconsistent with the real structure of moist convection. Motivated by the aforementioned knowledge gaps, this “end-to-end” research effort use theory, observations, numerical simulations, and direct improvements to the Zhang-McFarlane (ZM) convection scheme in the global climate Community Atmosphere Model (CAM) to address the following research questions: What key environmental parameters determine whether or not shallow convection will transition into deep convection, in the context of thermal-like updrafts? What factors regulate the size of thermals within cumulus updrafts? How does vertical wind shear influence thermal behavior, and as a consequence, vertical velocity and mass flux profiles and the shallow-to-deep convective transition? What are the critical processes that determine updraft vertical velocities and their connection to the vertical mass flux profile for thermal-like updrafts? Idealized LES modeling will be used in conjunction with theoretical models for the core properties of thermal-like updrafts to better understand key processes that regulate thermal ascent rates and entrainment properties. Thermal-tracking procedures will be used to characterize the behavior of thermals within the LES, and recently developed direct measures of entrainment and detrainment will be used to quantify entrainment/detrainment rates. Building from these results, we will analyze the structure of moist thermals from hemispheric range-height indicator scans taken during the Atmospheric Radiation Measurement Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign, and from “real case” LES of CACTI events. This combined modeling and observational analysis will provide essential validation for the existing body of research on moist thermal dynamics, which is based primarily on modeling studies. With the insight gained from the aforementioned activities, we will modify the Zhang-McFarlane convection scheme to improve its representation of updraft vertical velocity and entrainment rate profiles. These process-level changes will be tested in the Community Atmosphere Model to assess the impact on global climate simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

An Additively Manufactured Fe-3Si Stator for a High-Performance Electrical Motor

Additive manufacturing (AM) has the potential to produce novel high-performance electrical machines, enabling the direct printing of complex shapes and the simultaneous processing of multiple feedstocks in a single build. We examined the properties and functional performance of Fe-3 wt.% Si materials that were printed via selective laser melting, machined down to thin laminates, and stacked to form a stator core of a prototype brushless permanent-magnet electrical motor. Big Area Additive Manufacturing of Nd2Fe14B (NdFeB)–polyphenylene sulfide (PPS) bonded magnets was performed, with them then being magnetized and used for the rotor. The magnetic, mechanical, and electrical properties of the as-printed and various heat-treated thin laminates and the back electromotive force (EMF) of the electrical motors at different rotational speeds were measured. The thin laminates exhibit a maximum relative permeability of 7494 at an applied field of 0.8 Oe and a core loss of about 20 W/lb at 60 Hz with the maximum induction of 15 kg. In addition to the demonstration of AM printing, motor assembly, and complete characterization of printed Fe-3 wt.% Si, this report highlights the areas of improvement needed in printing technologies to achieve AM built electrical motors and the need for isotropic microstructure refinements to make the laminates appropriate for high-mechanical-strength and low-loss rotational electrical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Three-dimensional Hydrodynamic Simulations of Convective Nuclear Burning in Massive Stars Near Iron Core Collapse

Nonspherical structure in massive stars at the point of iron core collapse can have a qualitative impact on the properties of the ensuing core-collapse supernova explosions and the multimessenger signals they produce. Strong perturbations can aid successful explosions by strengthening turbulence in the postshock region. Here we report on a set of 4π 3D hydrodynamic simulations of O- and Si-shell burning in massive star models of varied initial masses using MESA and the FLASH simulation framework. We evolve four separate 3D models for roughly the final 10 minutes prior to and including iron core collapse. We consider initial 1D MESA models with masses of 14, 20, and 25 M ⊙ to survey a range of O/Si-shell density and compositional configurations. Further, we characterize the convective shells in our 3D models and compare them to the corresponding 1D models. In general, we find that the angle-average convective speeds in our 3D simulations near collapse are three to four times larger than the convective speeds predicted by MESA at the same epoch for our chosen mixing length parameter of α MLT = 1.5. In three of our simulations, we observe significant power in the spherical harmonic decomposition of the radial velocity field at harmonic indices of ℓ = 1–3 near collapse. Our results suggest that large-scale modes are common in massive stars near collapse and should be considered a key aspect of presupernova progenitor models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Fabrication and characterization of net-shaped iron nitride-amine-epoxy soft magnetic composites

Soft magnetic composites (SMCs) offer a promising alternative to electrical steels and soft ferrites in high performance motors and power electronics. They are ideal for incorporation into passive electronic components such as inductors and transformers, which require a non-permanent magnetic core to rapidly switch magnetization. As a result, there is a need for materials with the right combination of low coercivity, low magnetic remanence, high relative permeability, and high saturation magnetization to achieve these goals. Iron nitride is an attractive soft magnetic material for incorporation into an amine/epoxy resin matrix. This permits the synthesis of net-shaped SMCs using a “bottom-up” approach for overcoming the limitations of current state-of-the-art SMCs made via conventional powder metal processing techniques. In this work we present the fabrication of various net-shaped, iron nitride-based SMCs using two different amine/epoxy resin systems and their magnetic characterization. The maximum volume loading of iron nitride reached was ~77% via hot pressing, which produced SMCs with a saturation magnetic polarization (J s ) of ~0.9 T, roughly 2–3 times the J s of soft ferrites.

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

Potential Formation Damage: An Integrated Reservoir Characterization Study of the Naturally Fractured Carbonate Middle Duperow Formation at the Kevin Dome, Montana

In this study, we integrate geologic and engineering data of a naturally fractured carbonate reservoir at the Kevin Dome, Montana. Well test data are correlated with core description, geochemical and lithology study to determine the flow behavior and communication within the injection test interval and to the surrounding area. Based on a dual-continuum geologic model, numerical brine injection simulations are carried out to validate the interpretation results from our well test analytical models and forecast the probability of CO 2 injection success using current reservoir properties. As a result, our well test analytical models as well as lithology/core description suggest that fluid flow may be mainly restricted to the injection interval and the assumption of radial (horizontal) flow may be appropriate. The well test models also indicate that there is potentially formation damage with a positive skin factor although prior to brine injection well tests, well stimulation through acid treatment was performed. Our numerical simulation results appear to confirm this formation damage by showing additional pressure buildup in the injection data during later test periods. To explain this, acid may have dissolved dolomite then dolomite or calcite may have been formed again further into the matrix/fracture system. Another possible explanation is mechanical clogging of the fractures due to acid dissolving dolomite and dislodging fine grains. Our work also predicts that if no additional well stimulation is performed, the project will have a lower probability of successfully injecting 1 million tons of CO 2 into the Middle Duperow formation over 4 years.

42 ENGINEERING↗
DOE OSTI2023

Microporous structure in silicone polymers with polylactic acid and polyethylene glycol microspheres: Synthesis and characterization

Porosity in polymer parts could improve mechanical properties while reducing weight and density. Individual pores must be small enough that bulk mechanical properties are retained but significant enough to reduce the density of the material. Filler materials can be incorporated into polymer matrices and removed to create voids. Here, this paper focuses on creating spherical pores in silicone matrices by inserting and removing core materials or fillers during post-cure. A method was developed to incorporate pore formers into an uncured polymer resin and remove the pore former materials from the matrix. Polyethylene glycol (PEG) and polylactic acid (PLA) microspheres were created and incorporated into silicone matrices as pore formers. Microspheres with controllable size distributions were formed via an emulsion formation. Microspheres are removed from the matrix by solvent extraction and calcination. Thermogravimetric Analysis (TGA), Dynamic Mechanical Analysis (DMA), and optical imaging characterize and determine the successful creation of micropores in the polymer matrices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Beyond the Surface: Non-Invasive Low-Field NMR Analysis of Microbially-Induced Calcium Carbonate Precipitation in Shale Fractures

Microbially-induced calcium carbonate precipitation (MICP) is a biological process in which microbially-produced urease enzymes convert urea and calcium into solid calcium carbonate (CaCO 3 ) deposits. MICP has been demonstrated to reduce permeability in shale fractures under elevated pressures, raising the possibility of applying this technology to enhance shale reservoir storage safety. For this and other applications to become a reality, non-invasive tools are needed to determine how effectively MICP seals shale fractures at subsurface temperatures. In this study, two different MICP strategies were tested on 2.54 cm diameter and 5.08 cm long shale cores with a single fracture at 60 °C. Flow-through, pulsed-flow MICP-treatment was repeatedly applied to Marcellus shale fractures with and without sand (“proppant”) until reaching approximately four orders of magnitude reduction in apparent permeability, while a single application of polymer-based “immersion” MICP-treatment was applied to an Eagle Ford shale fracture with proppant. Low-field nuclear magnetic resonance (LF-NMR) and X-Ray computed microtomography (micro-CT) techniques were used to assess the degree of biomineralization. With the flow-through approach, these tools revealed that while CaCO 3 precipitation occurred throughout the fracture, there was preferential precipitation around proppant. Without proppant, the same approach led to premature sealing at the inlet side of the core. In contrast, immersion MICP-treatment sealed off the fracture edges and showed less mineral precipitation overall. This study highlights the use of LF-NMR relaxometry in characterizing fracture sealing and can help guide NMR logging tools in subsurface remediation efforts.

MICP↗
DOE OSTI2024

CO 2 Capture with Capsules of Ionic Liquid/Amines

Carbon capture remains an urgent issue that has gained a great deal of attention over the past few decades. Aqueous amines have excellent selectivity, but present corrosion and volatility issues, whereas ionic liquids (ILs) have negligible volatility and tunable physical properties, but high viscosities. One approach to improve the practical performance of these liquids is encapsulating them in a CO 2 permeable polymer shell to enhance the accessibility of the liquid and the CO 2 absorption rate. In this work, we report the encapsulation of a mixture of amine and IL (i.e., monoethanolamine (MEA) and 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF 4 ])) and demonstrate enhanced carbon capture performance. A soft-template approach and interfacial polymerization are used to give capsules with liquid core (64 wt %) and polyurea shell. Compared to the bulk liquid, the encapsulated liquid shows improved thermal stability over cycles of absorption at 25 °C, and desorption at 75 °C. The capsules with core of [BMIM][BF 4 ]-MEA show 0.2 mol CO 2 /kg of capsules at 1 bar CO 2 , compared to the bulk liquid, which has 0.05 mol CO 2 /kg of sorbent. This is attributed to the limited evaporation of the amines. Alternatively, the same capsules but with 5 wt % of piperazine (Pz) in the core have doubled gravimetric CO 2 capacity of the capsules (0.4 mol CO 2 /kg of capsules); performance is evaluated over 10 capture–release cycles showing minimal mass loss. Characterization of the CO 2 uptake of the polymer shell itself reveals that the shell contributes only ~10% of the observed capacity, likely attributed to amine functionalities of the polymer. Here, this facile approach to encapsulating such “active” liquids can be applied to other CO 2 selective solvents that are volatile, viscous, and corrosive.

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

Genome-wide approaches delineate the additive, epistatic, and pleiotropic nature of variants controlling fatty acid composition in peanut ( Arachis hypogaea L.)

Abstract The fatty acid composition of seed oil is a major determinant of the flavor, shelf-life, and nutritional quality of peanuts. Major QTLs controlling high oil content, high oleic content, and low linoleic content have been characterized in several seed oil crop species. Here, we employ genome-wide association approaches on a recently genotyped collection of 787 plant introduction accessions in the USDA peanut core collection, plus selected improved cultivars, to discover markers associated with the natural variation in fatty acid composition, and to explain the genetic control of fatty acid composition in seed oils. Overall, 251 single nucleotide polymorphisms (SNPs) had significant trait associations with the measured fatty acid components. Twelve SNPs were associated with two or three different traits. Of these loci with apparent pleiotropic effects, 10 were associated with both oleic (C18:1) and linoleic acid (C18:2) content at different positions in the genome. In all 10 cases, the favorable allele had an opposite effect—increasing and lowering the concentration, respectively, of oleic and linoleic acid. The other traits with pleiotropic variant control were palmitic (C16:0), behenic (C22:0), lignoceric (C24:0), gadoleic (C20:1), total saturated, and total unsaturated fatty acid content. One hundred (100) of the significantly associated SNPs were located within 1000 kbp of 55 genes with fatty acid biosynthesis functional annotations. These genes encoded, among others: ACCase carboxyl transferase subunits, and several fatty acid synthase II enzymes. With the exception of gadoleic (C20:1) and lignoceric (C24:0) acid content, which occur at relatively low abundance in cultivated peanuts, all traits had significant SNP interactions exceeding a stringent Bonferroni threshold (α = 1%). We detected 7682 pairwise SNP interactions affecting the relative abundance of fatty acid components in the seed oil. Of these, 627 SNP pairs had at least one SNP within 1000 kbp of a gene with fatty acid biosynthesis functional annotation. We evaluated 168 candidate genes underlying these SNP interactions. Functional enrichment and protein-to-protein interactions supported significant interactions (P-value < 1.0E−16) among the genes evaluated. These results show the complex nature of the biology and genes underlying the variation in seed oil fatty acid composition and contribute to an improved genotype-to-phenotype map for fatty acid variation in peanut seed oil.

Otyama, Paul I.↗
DOE OSTI2022

Li 7 P 2 S 8 Br 0.5 I 0.5 (LPSBI) solid state electrolyte by XPS

There have been increasing surface characterization studies of battery materials specifically in the context of before and after cell operation to determine any chemical changes. Therefore, providing reliable reference spectra of battery-related materials is important. In this paper, survey and high-energy resolution data are reported for the solid-state electrolyte Li 7 P 2 S 8 Br 0.5 I 0.5 (LPSBI), which has been synthesized and characterized at Pacific Northwest National Laboratory. The current data presents narrow scan regions of I 3d, I 4d, Br 3d, O 1s, P 2p, S 2p, and C 1s core level spectra as well as wide-scan survey data that was obtained using Al K a x-ray source with a Thermo Fisher Nexsa instrument.

25 ENERGY STORAGE↗
DOE OSTI2026

GaN Core-shell Nanofin Vertical Transistor (CoNVerT): A New Direction for Power Electronics (Final Scientific/Technical Report)

A novel power transistor architecture, the GaN c ore-shell n anofin ver tical transistor (CoNVerT) to address fundamental challenges in realizing the ultimate limit of GaN power transistor performance was explored experimentally. This technology promises ultra-high-efficiency high voltage/high power applications (e.g. DC/DC converters, motor control, fast charging, actuation), as well as to operate in harsh environments. The device exploits a vertical superjunction structure based on an experimentally-validated core-shell nanofin growth process in which lateral p-n heterojunctions are formed in a single growth step, while still maintaining vertical current flow for compact die size and low cost. The concept leverages the best properties of GaN for mid-range voltage applications: high mobility, high breakdown voltage, and native heterojunction enhancement-mode operation. Due to the crystallographic nature of the nanofin growth by molecular beam epitaxy, the sidewall heterojunctions occur on non-polar planes, resulting in ultra-smooth interfaces for high mobility, no sidewall etch damage and related surface/interface states, and elimination of piezoelectric effects that can limit reliability in conventional structures. This also facilitates superjunction formation for maximum device performance, and the selective-area growth of the nanofin results in dislocation-free growth, even on low-cost Si (111) substrate. In this program, core-shell nanofins were grown by molecular beam epitaxy, test structures to evaluate the doping, resistivity, and other electrical properties were fabricated, and the material and test structures were characterized in detail. The work identified clear potential (e.g., the doping was well controlled as required for superjunction concepts), but also additional areas that require additional effort to resolve (some unexpected crystal defects were encountered that require additional engineering to overcome). Simulation studies of the proposed concept validate that the fundamental approach is very promising, but additional effort in experimental realization is needed.

42 ENGINEERING↗
DOE OSTI2025

Gamma Rays as a Signature of r -process Producing Supernovae: Remnants and Future Galactic Explosions

We consider the question of whether core-collapse supernovae (CCSNe) can produce rapid neutron capture process (r-process) elements and how future MeV gamma-ray observations could address this. Rare types of CCSNe characterized by substantial magnetic fields and rotation, known as magnetorotational supernovae (MR-SNe), are theoretically predicted to produce these elements, although direct observational evidence is lacking. We suggest that this critical question be addressed through the study of some of the 11 CCSN remnants located within 10 kpc, as well as through the detection of gamma-ray emission from a future Galactic supernova. We use a two-dimensional MR-SN model to estimate the expected gamma flux stemming from nuclear decays in the range of a few tens of keV to a few MeV. Our results indicate that an observation of 126 Sn ( 126 Sb) in a remnant stands out as a signature of an r-process-producing supernova. Since the neutron-rich conditions that lead to the production of the r-process could also enhance the production of 60 Fe, the detection of substantial 60 Fe ( 60 Co) would be indicative of favorable conditions for the r-process. In the case of a future supernova explosion, when the evolution of the spectrum is studied over 10 days to a few years, a rich picture emerges. At various epochs, the second peak r-process isotopes such as 125 Sn, 131 I, 132 Te, 132 I, and 140 La produce signals that are not obscured by the gamma emission from explosive burning products and electron–positron annihilation. The weak r-process isotopes 95 Nb, 103 Ru, and 106 Rh also have periods of prominence.

Gamma-rays↗
DOE OSTI2022

Livewire Data Platform-A Solution for Energy Efficient Mobility Systems (EEMS) Data Sharing

This presentation is an overview of progress made on the Livewire Data Platform since June 2021. Livewire is a publicly accessible platform for sharing energy efficiency and mobility research data funded by DOE's Vehicle Technologies Office. Core services and platform capabilities of Livewire include: Free, secure data storage; Access management that allows data owners to control who sees their data; Data collection and preservation; Quality characterization; Detailed access and download metrics; and Increased visibility of projects and data.

energy efficiency mobility↗
DOE OSTI2023

Livewire Data Platform-A Solution for Energy Efficient Mobility Systems (EEMS) Data Sharing

This presentation is an overview of progress made on the Livewire Data Platform since June 2022. Livewire is a publicly accessible platform for sharing energy efficiency and mobility research data funded by DOE's Vehicle Technologies Office. Core services and platform capabilities of Livewire include: Free, secure data storage; Access management that allows data owners to control who sees their data; Data collection and preservation; Quality characterization; Detailed access and download metrics; and Increased visibility of projects and data. Anyone can create an account and access data at https://livewire.energy.gov/.

energy efficiency↗
DOE OSTI2023

Neutrino signatures of 100 2D Axisymmetric Core-Collapse Supernova Simulations

ABSTRACT We present in this paper a public data release of an unprecedentedly large set of core-collapse supernova (CCSN) neutrino emission models, comprising 100 detailed 2D axisymmetric radiation-hydrodynamic simulations evolved out to as late as ∼5 s post-bounce and spanning an extensive range of massive-star progenitors. The motivation for this paper is to provide a physically and numerically uniform benchmark data set to the broader neutrino detection community to help it characterize and optimize subsurface facilities for what is likely to be a once-in-a-lifetime galactic supernova burst event. With this release, we hope to (1) help the international experiment and modelling communities more efficiently optimize the retrieval of physical information about the next galactic CCSN, (2) facilitate the better understanding of core-collapse theory and modelling among interested experimentalists, and (3) help further integrate the broader supernova neutrino community.

Astronomy & Astrophysics↗
DOE OSTI2024

Complete Optimization of LPBF Ni-Based Alloys Down-Selected from FY23 Candidate Materials Including, Thermodynamic Modeling, Sample Fabrication and Microstructure Characterization

The goal of the Advanced Materials and Manufacturing Technologies (AMMT) program is to accelerate the incorporation of new materials and manufacturing technologies into advanced nuclear-related systems. Although 316H stainless steel fabricated by laser powder bed fusion (LPBF) has already been identified as an alloy that could have a significant effect on various reactor technologies, many other materials and manufacturing techniques are being evaluated. Nickel-based alloys typically offer higher-temperature capabilities compared with advanced stainless steels, and previous reports looked at three Ni-based alloy categories: low-Co alloys with a potential use close to the reactor core; high-temperature, high-strength alloys; and molten salt–compatible alloys. In the first category, alloy 718 was studied in 2023, and creep testing at 600°C and 650°C revealed that the alloy exhibited great creep strength after the appropriate annealing but had low ductility. Advanced characterization was recently conducted to highlight the presence of strengthening γ' and γ" precipitates after creep testing and to show that brittle phases at grain boundaries might explain the low ductility of LPBF 718 compared with wrought 718. For the high-temperature, high-strength alloys, previously purchased powders of alloys 617, 230, and 625 were used to assess the printability of these three solution-strengthened alloys. Hot cracking could not be suppressed for alloy 617 and 230, and it was shown that these cracks, which were elongated along the build direction (BD), had a drastic effect on the ductility of alloy 230 at room temperature when specimens were machined perpendicular to the BD. On the contrary, LPBF printing of crack-free alloy 625 was achieved using similar printing parameters, and the alloy looked like a promising candidate for various reactor technologies. The fabrication of alloy 282 by LPBF, a γ'-strengthened alloy with great creep strength up to 800°C, was performed in 2023, and x-ray computed tomography (XCT) scans of the alloy before and after creep testing at 750°C were carried out to assess the effect of flaws on the alloy’s creep behavior. Correlation between the flaws’ volume fraction, creep ductility, and creep lifetime could be established, and future work on LPBF 625 will take full advantage of in situ printing data and ex situ XCT scans to accelerate the alloy qualification. Finally, single track experiments were performed on the two alloys previously identified as good molten salt–resistant, Ni-based candidates: Hastelloy N and 244. Various laser parameters were considered, and cracking was not observed for either of the two alloys. Wrought 244 offers better creep strength and molten salt compatibility than alloy 625, and future work will aim to establish the alloy LPBF processing window.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Geochemistry of East River, Colorado floodplain sediments from Meander Z and Meander Y collected in 2017.

This dataset includes sediment geochemical characterization data from floodplain sediments collected as a part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected in order to investigate the role of biogeochemical cycling and other river corridor processes on riverine export of solutes. Sediment cores were collected from Meander Z (MZA, MZB) and Meander Y (MYP) just upstream of the confluence with Brush Creek in September 2017 to depths of approximately 40-95 cm in 15-20 cm intervals. Analyses include moisture content, particle size analysis, total inorganic and total organic carbon, and extractions by 1 M KCl (for adsorbed NH4), anoxic HCl (for Fe(II) content), ammonium oxalate (for amorphous Fe-oxide content), and dithionite (for crystalline Fe-oxide content). Sample locations are included in both a kmz file, which can be opened in Google Earth, and a csv file, and methods are included as a text document. All characterization data is summarized in a Microsoft Excel file, and is also included as individual .csv files for each extraction (ammonium oxalate, anoxic HCl, dithionite, and KCl) and for bulk sediment data (moisture content, particle size analysis, TIC, and TOC).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

New insights into fuel blending effects: Intermolecular chemical kinetic interactions affecting autoignition times and intermediate-temperature heat release

Fuel blending effects on chemically-dominated fuel properties, such as gasoline anti-knock quality, are influenced by fundamental chemical kinetic interactions between the blending agent and the base fuel. Historically, quantification of such interactions has focused on changes to the radical pool, including $\dot{O}$H and HO 2 , while intermolecular interactions pertaining to carbonated, non-fuel-specific intermediates are typically overlooked. In this regard, this work aims to derive new insight into intermolecular chemical kinetic interactions that are intrinsic to fuel blending effects via a case study on blends of 0–30% ethanol (by volume) into FGF-LLNL (a multi-component gasoline surrogate for FACE-F research gasoline) using a rapid compression machine at a diluted/stoichiometric fuel loading, compressed pressure of 40 bar and low- to intermediate-temperature regimes that are representative of boosted SI engine operation. Ethanol blending effects on the intermediate temperature heat release (ITHR) of FGF-LLNL are characterized using experimental measurements, where ethanol is found to promote the extent of ITHR and suppress the transition from ITHR to main ignition. Chemical kinetic modeling is undertaken using a recently updated gasoline surrogate model. Sensitivity analyses on ITHR characteristics further corroborate the ethanol blending effects, and highlight the significant dependence of ITHR on both fuel-specific and non-fuel-specific reactions. An approach allowing comprehensive characterization of the complex intermolecular chemical kinetic interactions between constitutes in a fuel blend is then proposed. Application of the approach to FGF-LLNL/E0–E30 reveals that ethanol perturbs the heat release and autoignition characteristics of FGF-LLNL not only by directly changing the $\dot{O}$H and HO 2 radical pools via fuel-specific reactions, but also through intermolecular interactions where participating intermediates can be produced and consumed by various sub-chemistries. Disabling the intermolecular interactions in carbonated species between ethanol and FGF-LLNL sub-chemistries leads to somewhat slower ITHR evolution and lower ignition reactivity. The role of the individual intermolecular interaction is also characterized using the proposed approach. Lastly, implications of intermolecular interactions for future studies that aim to improve model performance are highlighted, where it is found that further investigations on the core C0-C4 chemistry are needed for developing highly accurate chemistry models for complex fuel blends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗