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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 OSTI2022

Probing the initial stages of iron surface corrosion: Effect of O 2 and H 2 O on surface carbonation

Iron plays a vital role in natural processes such as water, mineral, iron, and nutrient cycles. Iron undergoes reduction-oxidation and catalytic reactions to produce various corrosion films depending on its chemical environment. Near ambient pressure X-ray photoelectron spectroscopy, polarized modulated infrared reflection absorption spectroscopy, and Auger electron spectroscopy were used to study the key reactants, from O 2 (g), H 2 O vapor, Na + and Cl – on the initial stages of iron surface corrosion. Here, with increasing the ratio of O 2 and H 2 O, surface hydrocarbons were shown to oxidize into carbonates, while the Cl – was found to migrate into the interface. The effect of each individual reactant was measured separately and water was shown to have a first order rate dependence on the carbonate growth at low pressures, with little dependence for O 2 . Near ambient pressures, both H 2 O and O 2 were found to increase the carbonate growth, which was estimated using the Langmuir isotherm model, yielding Gibbs energies between –9.8 to –8.5 kJ/mol. A mechanism is suggested to explain the oxidation is catalyzed by NaCl on iron surfaces and the adventitious hydrocarbons served as the source for surface carbonation. These findings have implications for understanding other surface catalytic and redox interface chemistry in complex environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Closing the loop on plastics: Biological and hybrid routes for converting plastic waste to polyhydroxyalkanoates

Polyhydroxyalkanoate (PHA) production from plastic-derived substrates offers a promising route to mitigate plastic pollution while reducing dependence on conventional PHA feedstocks. Plastic waste represents an abundant carbon source for microbial fermentation, but efficient conversion remains limited by incomplete deconstruction, inhibitory intermediates, low carbon recovery, and challenges in process integration. Plastic-derived streams contain diverse compounds, including fatty acids, hydrocarbons, fatty alcohols, aldehydes, esters, and aromatic compounds generated during depolymerization. These intermediates can be metabolized by selected microorganisms, particularly Pseudomonas species with versatile fatty-acid and hydrocarbon pathways, as well as Cupriavidus necator and mixed microbial cultures. Unlike reviews that address plastic upcycling or PHA biosynthesis separately, this review focuses on the deconstruction–fermentation interface that governs plastic-to-PHA conversion. It consolidates current progress in plastic deconstruction, substrate conditioning, microbial metabolism, fermentation control, polymer recovery, and techno-economic and life-cycle considerations. Here, by emphasizing substrate composition, biological compatibility, plastic‑carbon recovery, and final polymer quality, the review identifies priorities for scalable and environmentally sustainable PHA production from plastic-derived substrates.

42 ENGINEERING↗
DOE OSTI2024

Phonons reveal coupled cholesterol-lipid dynamics in ternary membranes

Experimental studies of collective dynamics in lipid bilayers have been challenging due to the energy resolution required to observe these low-energy phonon-like modes. However, inelastic X-ray scattering (IXS) measurements — a technique for probing vibrations in soft and biological materials — are now possible with sub-meV resolution, permitting direct observation of low energy, phonon-like modes in lipid membranes. Here, in this study, IXS measurements with sub-meV energy resolution reveal a low-energy optic-like phonon mode at roughly 3 meV in the liquid-ordered (L o ) and liquid-disordered (L d ) phases of a ternary lipid mixture. This mode is only observed experimentally at momentum transfers greater than 5 nm -1 in the L o system. A similar gapped mode is also observed in all-atom molecular dynamics (MD) simulations of the same mixture, indicating that the simulations accurately represnt the fast, collective dynamics in the L o phase. It’s optical nature and the Q range of the gap together suggest that the observed mode is due to the coupled motion of cholesterol-lipid pairs, separated by several hydrocarbon chains within the membrane plane. Analysis of the simulations provide molecular insight into the origin of the mode in transient, nanoscale substructures of hexagonally packed hydrocarbon chains. This nanoscale hexagonal packing was previously reported based on molecular dynamics simulations and later by NMR measurements. Here, however, the integration of IXS and MD simulations identifies a new signature of the L o substructure in the collective lipid dynamics, thanks to the recent confluence of IXS sensitivity and MD simulation capabilities.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Work function measurements of clean and modified carbon nanospikes

Carbon surfaces incorporating densely packed spikes with nanometer sharpness have shown exceptional electrocatalytic properties attributed to the enhanced electric field from the topography of the spikes. In this article, the composition of nanospike surfaces is identified by x-ray photoelectron spectroscopy (XPS) and their absolute work function determined using ultraviolet photoemission spectroscopy (UPS). Low temperature annealing of as-grown samples above 275 °C is required to produce a clean surface which has a 4.13 eV work function, a half volt lower than that of flat graphite. Treatments that contaminate the spiked surface, including exposure to air, oxidation at elevated temperature, or immersion in water or hydrocarbons, all increase the work function. Processing that blunts the spikes, including exposure to an oxygen plasma, argon sputtering, or high temperature annealing (800 °C) result in a work function close to that of flat graphite. An unusual double onset in the UPS secondary electron intensity is observed on as-grown nanospike samples and is reproduced by absorbing hydrocarbons on the surface. In conclusion, this double onset appears to be unique to carbon substrates and may originate in inelastic scattering of photoelectrons.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hydrogenolysis of n -eicosane over Ru-based catalysts in a continuous flow reactor

The hydrogenolysis of n-eicosane (C 20 H 42 ) was studied under differential conditions over Ru-based catalysts including Ru/SiO 2 , Ru/TiO 2 , and Ru/SBA-15, using a continuous flow reactor that was specially designed for large hydrocarbon reactants that are solids at room temperature. Similar rates and product distributions were obtained for Ru/SiO 2 and Ru/SBA-15 at 433 K, with the most abundant products being C 1 and C 19 hydrocarbons and smaller amounts of C 8 to C 18 also being produced. The higher yield of C 1 and C 19 indicates that cleavage of the terminal C-C bond is somewhat more facile than an internal C-C bond. At 473 K the product distribution shifted to mostly C 1 suggesting that, at this temperature, the adsorbed alkyl fragments undergo complete C-C bond scission prior to desorbing. Here, the conversion was also found to be inversely proportional to the H 2 pressure. Similar results were obtained for Ru/TiO 2 except this catalyst was found to be less active than both Ru/SiO 2 and Ru/SBA-15.

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

A systematic multicriteria-based approach to support product portfolio selection in microalgae biorefineries

Here this work proposes and applies a sequential approach of objective methods to aid the decision-making process for the deployment of microalgae biorefineries. The strategy combines Multicriteria Decision Analysis (MCDA) and weight assignment methods to simultaneously consider technical, economic, and environmental criteria to (1) outrank the best bioproduct options from different biomass fractions present in microalgae biomass at different ratios (namely carbohydrates, lipids, and protein) and (2) define the most suitable biorefining pathways associated with specific pairings of microalgae strains and cultivation conditions. The first part of the assessment identified succinic acid, acrylic acid, and citric acid as the top-ranked bioproducts from carbohydrates, polyurethane from lipids, and thermoplastic extrusion co-feed from protein. The second step of the analysis determined that, when production of a hydrocarbon fuel is desired, the compositional profile of a strain is paramount in defining the biorefining setup that should be pursued. In summary, microalgae lipids should be sent to the production of hydrocarbon fuels if the ratio between neutral lipids and fermentable carbohydrates is higher than roughly 1, with carbohydrates and protein being converted to the higher-value products noted above. Finally, this result was corroborated through process simulations, which indicated superior economic and environmental metrics when strains are paired with suitable conversion pathways identified through MCDA based on their compositional profiles. The outcomes of this work provide clear, objective, guidelines for establishing the best biorefining approach for a large suite of biochemical compositions as a screening method prior to employing detailed process simulations alongside rigorous techno-economic and life-cycle assessments.

09 BIOMASS FUELS↗
DOE OSTI2022

Probing oil recovery in shale nanopores with small-angle and ultra-small-angle neutron scattering

Increasing oil production from unconventional shale reservoirs is crucial to meet growing energy demands while achieving lower carbon emission than conventional crude oil. Enhanced oil recovery (EOR) has been proposed to improve hydrocarbon recovery rates through the injection of a fluid into the reservoir to facilitate residual oil release from the shale formation. However, economical and sustainable implementation of EOR requires advanced knowledge of fluid behavior in nano-sized pore spaces in shale. In this study, we utilize small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS) as experimental probes to examine decane removal from a shale nano- to micro-porous matrix, utilizing methane as the injectant. The extent of decane saturation and recovery post-methane pressurization is quantified for clay-rich and carbonate-rich shale samples. A key finding is that extraction of decane by methane on depressurization is related to the methane-decane critical point. Furthermore, we found that although clay-rich shale had a much higher porosity of 5.6%, compared with 1.2% for carbonate-rich shale, decane was more easily removed from the carbonate-rich matrix, leading to similar hydrocarbon yields. These promising results demonstrate the ability of SANS and USANS to provide key insights into oil recovery from nano- to micron-sized pores in shale matrices. Combined with effects of various fractures on fluid behavior in shale, this experimental technique can be used to assess the viability of EOR injectants.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2021

Amines have lower sooting tendencies than analogous alkanes, alcohols, and ethers

While the sooting tendencies of regular hydrocarbons, oxygenates, and complex fuel mixtures have been well-studied, far less research has been devoted to analyzing the influence of fuel-nitrogen on soot formation. The effect of nitrogen on soot formation becomes relevant for diesel fuels with nitrogen-containing additives, as well as biomass or biomass-derived fuels, which can contain up to 30% nitrogen-containing compounds by dry weight. To begin closing these gaps in the literature, the sooting tendencies of 14 C4 and C6 amines were measured. Sooting tendencies were quantified by re-scaling relative soot concentrations measured in fuel-doped methane flames into Yield Sooting Indices (YSI). The relative soot concentrations were measured with line-of-sight spectral radiance, and validation experiments confirmed that the presence of nitrogen in the test compounds did not interfere with this diagnostic. All of these amines had lower sooting tendencies than the structurally analogous hydrocarbons and oxygenates. The sooting tendencies of amine isomers with the same chemical formula varied significantly. Secondary amines with linear substituents were found to offer the lowest sooting propensity, while primary amines with branched substituents were observed to yield the largest sooting tendencies. In conclusion, the relationship between sooting propensity and chemical structure of the amines hints at the complex nature of soot formation, and highlights an interesting and unexplored area of combustion chemistry for further studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Group additivity values for the heat of formation of C 2 –C 8 alkanes, alkyl hydroperoxides, and their radicals

A set of 58 group additivity values (GAV) for the calculation of the heat of formation is derived from an extensive and accurate database of 192 ab initio heats of formation. The ab initio values are from companion calculations at the CCSD(T)–F12/cc-pVTZ-F12//B2PLYPD3/cc-pVTZ level of theory employing second order connectivity based hierarchy reference reactions with ANL energies for the reference species. This database of 192 species consists of alkanes (RH), alkyl radicals ($\dot{\text {R}}$), alkyl hydroperoxides (RO 2 H), alkyl-peroxy (R$\dot{\text {O}}$ 2 ) radicals, and hydroperoxy-alkyl ($\dot{\text {Q}}$OOH) radicals of all of the isomers of C 2 –C 5 alkane fuels and a select set of C 6 –C 8 isomers. The GAV and ab initio based enthalpies for this dataset show excellent agreement, with an estimated 2σ uncertainty of 0.9 kcal mol –1 . Among the 58 GAV terms, 40 are refinements of previously reported terms, while 18 are newly developed. These new GAV terms are mainly non-next-nearest neighbor interactions (NNI) and β-corrections. The inclusion of these new groups significantly improves the accuracy of the GAV estimates of the heats of formation. Finally, the updated GAVs can be used with increased confidence to estimate the heats of formation of combustion relevant hydrocarbons and oxygenated hydrocarbons and their corresponding radicals, which are important in predicting low-temperature chemistry and are critical in the development of accurate chemical kinetic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Computational diagnostics and characterization of combustion recession in diesel sprays

While low-temperature combustion (LTC) strategies have been found to mitigate nitrogen oxides and particulate matter emissions in diesel engines, studies have also associated LTC with an increase in unburnt hydrocarbons. With more recent studies on diesel after end-of-injection (AEOI), combustion recession is identified as a phenomenon where at near nozzle region, high-temperature ignition (HTI) combustion can propagate back to the nozzle tip consuming the unburnt hydrocarbons AEOI. Current literature has suggested that combustion recession is controlled by auto-ignition. However, high-fidelity simulations and detailed analysis of such a mechanism are missing. In this study, comprehensive Large Eddy Simulations of a reacting spray at “Spray A” conditions are performed, where detailed analysis of combustion recession concerning flame morphology and propagation modes are included. In particular, this study demonstrated for the first time that while combustion recession is mainly auto-ignition dominated (consistent with the literature), a cool flame was found to deflagrate towards the richer regions of the mixture, promoting mixing and increasing the mixture temperature. This leads to HTI kernels, which then grow and develop as deflagrative waves, therefore sustaining the combustion recession process. The study also detailed the extinction mechanism of combustion: the entrainment wave will overlean the near-nozzle mixtures, rendering it unable to support HTI, which leads to the extinction of the upstream flame AEOI in lower reactivity mixtures. Combustion recession is also observed to be contingent on the chemical and diffusion processes, even at low scalar dissipation rates. Finally, a new criterion for combustion recession based on chemical explosive mode is proposed and validated with previous combustion recession index to quantify the extent of HTI in near-nozzle mixtures AEOI. The newly developed metric combined with a previous experimentally-based metric can provide simple but valuable measurements of the degree and propensity of the upstream flame AEOI.

CEMA↗
DOE OSTI2023

Combined chlorine dioxide–membrane distillation for the treatment of produced water

Membrane distillation (MD) is a promising technique for desalinating hypersaline brine, such as produced water (PW). To date, fouling and scaling have remained as major challenges for MD implementation. In this study, chlorine dioxide combined with induced air floatation (ClO 2 -IAF) was systematically investigated as a pretreatment prior to MD. First, the ClO 2 generation based on sodium chlorite and hydrochloric acid was optimized to maximize the on-demand ClO 2 production. The maximum production yield of 18.4% was obtained with 4wt.% NaClO 2 and 20wt.% HCl solutions, with a molar ratio of 1:1.25. Then, two real PW samples were pretreated, and removal efficiencies for total suspended solids (TSS), turbidity, iron, and total organic carbon (TOC) were comprehensively studied by varying the ClO 2 dosage between 6 and 91 mg/L. The ClO 2 -IAF pretreatment displayed TSS and turbidity removals above 90% and TOC removal close to 55%. Further, the PW constituents such as benzene, toluene, ethylbenzene, xylene (BTEX), and total petroleum hydrocarbons (TPH) were analyzed and quantified throughout the cascade of the treatments. The volatiles like BTEX were mainly removed by air floatation, while saturated hydrocarbons such as TPH were retained by the hydrophobic membrane. The MD long-term stability without any in-place cleaning was evaluated, and the membrane withstood for twenty two days without wetting, suggesting that optimizing oxidation pretreatment is critical for mitigating the fouling in MD. Results suggest that organic fouling in PW could be effectively reduced by the pretreatment, but further treatment is required to mitigate the scaling, which resulted in MD wetting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Characterizing Hazardous Gases from NMC811 Materials and Coin Cells with TGA and Tube-Furnace FTIR-MS Evolved-Gas-Analysis

Abuse testing is useful for informing the risks of different battery chemistries but has been limited to larger formats. This paper conducted thermal abuse tests at the smaller coin cell level to determine its relevance in specifying vent gas flammability and toxicity. A nitrogen purge carried the evolved gases into a parallel Fourier-transform infrared spectrometer (FTIR) and a mass spectrometer (MS) downstream of the tube furnace. The experimental system was validated by comparing evolved gas data for single components between the tube furnace system and a thermogravimetric analysis (TGA) instrument. Multiple samples were tested during validation, including CaCO3, electrolyte, delithiated NMC 811 cathode, and lithiated graphite anode. Temperature-resolved gas evolution of HF, CO2, CO, H2, and hydrocarbons from isolated components helped to characterize the emission sources. A previously unreported H2 generation mechanism was found. It was shown that the reduced NMC cathode acts as a catalyst to crack polypropylene-decomposed hydrocarbons into H2 at around 450 degrees C. It was also shown, while studying LiPF6 thermal decomposition, that using the tube furnace with a coin cell casing as the sample holder has some advantages for evolved-gas analysis of environmentally sensitive samples relative to testing in TGA instruments. After validation with single components, a fully charged NMC 811 coin cell was failed in the tube furnace. The measured evolved gases were found to be a combination of the species measured from the single component tests. H2 formation related to the reduced cathode was found to have greater abundance than H2 formed from the anode. Hydrogen fluoride emission factors and diethyl carbonate conversion emission factors assist in understanding the gaseous hazards for larger format cells.

25 ENERGY STORAGE↗
DOE OSTI2020

Production and Fuel properties of Iso-Olefins with Controlled Molecular Structure and Obtained from Butene Oligomerization

The ability to control the molecular structure (e.g., degree of branching) of iso-olefins produced from oligomerizing light olefins is a valuable tool for tuning the final compositions of hydrocarbon fuels and targeting specific fuel properties. In this study, we demonstrated that the degree of branching of iso-olefins obtained from butene(s) oligomerization can be controlled by tuning process conditions (i.e., temperature, weight hourly space velocity [WHSV], and nature of butene feedstock) and by choosing the proper catalyst (i.e., Amberlyst-36 vs. Y/ZSM-22). In this study, we produced three types of iso-olefin mixtures: 1) a methyl-heptenes rich (74 wt.%) mixture, 2) dimethyl-hexenes rich (80–96 wt.%) mixtures, and 3) highly branched (i.e., more than three methyl substitutions) iso-olefins rich (>50 wt.%) mixtures. While dimethyl-hexenes are preferentially formed at lower temperatures (60–100°C) and WHSV (i.e., 2 hr-1), methyl-heptenes are favorably produced at higher temperatures (>100°C) and WHSVs (i.e., 7 hr-1) over Amberlyst-36. The use of either 1-butene or 2-butene as feedstock resulted in liquid products with similar branching because facile intramolecular isomerization occurs prior to oligomerization. However, the use of isobutylene feedstock forms a significantly more branched olefin product. The formation of highly branched iso-olefins also is favored at higher temperature (140°C) over Amberlyst-36. Using Y/ZSM-22 instead of Amberlyst-36 allowed preferential formation of less-branched methyl-heptenes. For each type of iso-olefins mixture, we determined fuel properties including research octane number (RON), motor octane number (MON), and octane sensitivity (S), which is the difference between RON and MON. We found that not only RON and MON but also S values increased with the degree of branching of these complex mixtures of iso-olefins. The highest RON of 99.7 and S value of 9.3 were obtained for a mixture of highly branched iso-olefins.

Dagle, Vanessa↗
DOE OSTI2021

Pyrolysis of bio-derived dioxolane fuels: A ReaxFF molecular dynamics study

Alkyl-substituted 1,3-dioxolanes, including 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane (Fuel 1), 4,5-dimethyl-2-pentyl-1,3-dioxolane (Fuel 2), and 2-(heptan-3-yl)-4,5-dimethyl-1,3-dioxolane (Fuel 3), have been recently suggested as potential biodiesels. In this paper, we investigate the initial pyrolysis of the alkyl-substituted 1,3-dioxolanes at high temperatures using ReaxFF molecular dynamics (MD) simulations. We analyze the decomposition rate, reaction mechanism, and product distribution in the pyrolysis of the three alkyl 1,3-dioxlanes. The three fuels primarily decompose to 4,5-dimethyl-1,3-dioxolane radical and hydrocarbons derived from the alkyl side-chains. The further decomposition of 4,5-dimethyl-1,3-dioxolane radical primarily leads to 2-C 4 H 8 and CO 2 within a few decomposition steps. The hydrocarbon product distribution is significantly affected by the molecular structure of the alkyl side-chain, which would have a strong influence on the sooting tendency of these fuels. The ReaxFF simulations predict that the order of sooting tendency would be Fuel 3 > Fuel 1 > Fuel 2, which agrees with the measured sooting tendency trend. Based on the pyrolysis mechanism identified by ReaxFF, we propose a new alkyl dioxolane, 4-hexyl-5-methyl-1,3-dioxolane (Fuel 4), which might produce even less soot, by modifying the molecular structure of Fuel 2. Our ReaxFF simulation shows that Fuel 4 produce much less C 4 H 8 , an effective non-aromatic soot precursor, than Fuel 2. Moreover, more carbon atoms are bonded to each oxygen atom in Fuel 4 than Fuel 2, which would help reduce soot yield by removing more carbon atoms from the soot-producing pool of species. The major decomposition pathways identified in this work can be used to develop chemical kinetic models for 1,3-dioxolane based compounds, as biodiesel components, applicable to combustion engine simulations. We also demonstrate that the chemical kinetic insight offered by ReaxFF simulations can be used to design new fuel molecules with more desired properties.

09 BIOMASS FUELS↗
DOE OSTI2022

Perspective on the oil-dominated gas hydrate plugging conceptual picture as applied to transient Shut-In/Restart

Gas hydrate formation is rarely an issue during continuous production conditions. Unplanned and/or extended shut-downs comprise the majority of scenarios where overlapping concern and uncertainty for gas hydrate blockages exist. To date, most experimental studies and theoretical analysis of gas hydrate formation derive from the steady-state conceptual picture. Yet, significant distinctions induced by phase separation and prolonged cooling suggest an altered conceptual picture is required for transient shut-in/restart operations. To address this outstanding issue, this work presents a conceptual picture for the base case of a non-surface active hydrocarbon undergoing cold restart without enacted mitigation efforts. First, phase separation upon shut-in leads to the localization of gas hydrate ingredients due to fluids density differences and pipeline inclination. Cooling to the seafloor temperature, then, induces gas hydrate film formation at the hydrocarbon interface and maximizes subcooling, resulting in rapid and confined gas hydrate growth occurring upon restart. Furthermore, this ultimately leads to plugging dominated by the deposition of porous, low conversion gas hydrate masses. Direct visual observations and results from Raman spectroscopy, hydrate contact angle and film growth, micromechanical force apparatus, rocking cell, and flow loop studies support the mechanisms outlined within each step. Similar to the influence provided by the original Colorado School of Mines steady-state conceptual picture that was introduced about 15 years ago, this transient counterpart builds a foundation that could inspire new directions of hydrate research and analysis in areas where uncertainty abounds.

02 PETROLEUM↗
DOE OSTI2022

Combustion dynamics of crude and upgraded Thermal DeOxygenation oils in a compression ignition engine

Thermal DeOxygenation (TDO) is a robust thermochemical conversion scheme to produce hydrocarbons from biomass feedstock. The process targets the carbohydrate fraction of biomass to yield a broad mixture of primarily aromatic hydrocarbons within a boiling point range of 348–798 K with low oxygen content (<4 wt%). The resulting materials are amenable to traditional hydrotreating and distillation processes with approximately 70% by mass in the distillate fuel range. The simple conversion scheme combined with commercially viable upgrading routes makes TDO oils a feasible alternative fuel for transportation applications. Here this paper is the first systematic treatment of fit-for-purpose testing of TDO oils in a compression ignition engine. Blends of partially upgraded TDO oils (e.g. whole oil, distilled oil, hydrotreated oil and hydrotreated-distilled oil) are prepared with certified ultra-low sulfur diesel at 5%, 10%, 15% and 20% by volume. The resulting fuels are analyzed for fuel characteristics and combustion dynamics in an instrumented single-cylinder compression ignition engine. All fuel blends at 10% blend level by volume exhibited adequate engine performance. Hydrotreating of the oils is a necessary step to meet cetane number and EPA soot emissions requirements at 20% blend volume. Combined distillation and hydrotreatment meet or exceed all fuel specification and engine performance benchmarks. Partially upgraded TDO oils are suitable fuel options for compression ignition applications.

42 ENGINEERING↗
DOE OSTI2025

Unravelling the origins of shale nanoporosity using small-angle neutron scattering (SANS)

Hydrocarbon production from tight rocks is constrained by slow diffusion within the shale matrix, limited by small pore sizes and low permeability. The nanopore proportion and size distribution significantly influence matrix permeability, a key property for optimizing hydrocarbon recovery and supporting hydrogen production while minimizing environmental impacts. Small-angle neutron scattering (SANS) has been an important tool for exploring the characteristics and structure of shale nanopores. This study used SANS to analyze nanoporosity and pore size distribution (<100 nm) in tight rocks with varying compositions to determine the influence of rock heterogeneity on SANS measurements. Results showed that nanoporosity correlates with clay content, with the highest clay-rich shale (52.48 wt% clay) exhibiting 8.8 % nanoporosity. SANS also revealed more nanopores than traditional nitrogen adsorption measurements, affirming its ability to reflect bulk mineralogy and upholding the relevance of experimental findings using this technique to optimize field operational approaches.

03 NATURAL GAS↗