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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Mixed gases in compressed cylinders: some popular misconceptions and explanations

Many industrial applications and scientific investigations require gaseous premixes. These are generally available in compressed gas cylinders from commercial vendors. Despite many decades of working knowledge with compressed premixed gases, various individuals from the production plants have expressed concerns regarding the ability of the gases to remain mixed in storage and delivery. In this brief tutorial, we show the mathematics and physics that underwrite our confidence in the use of premixed gases as we explain the following: The conditions in which separation of gases due to gravity is of practical concern; The conditions for preferential extraction of lighter gases from premixed gas tank; The time length necessary for homogeneous mixing of gases by molecular kinetics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Probing the Core–Shell Organization of Nanoconfined Methane in Cylindrical Silica Pores Using In Situ Small-Angle Neutron Scattering and Molecular Dynamics Simulations

Determining the structure of nanoconfined fluids is essential for predicting the fate of these fluids in subsurface geologic formations with nanoporous features and for engineering novel nanoporous materials for storing compressed gases. In this study, we probe the structure of nanoconfined methane at pressures in the range of 15–100 bar using in situ small-angle neutron scattering (SANS) measurements and molecular dynamics (MD) simulations. The structure of methane is probed in MCM-41 and SBA-15 with cylindrical pores and diameters of 3.3 and 6.8 nm, respectively. In situ SANS measurements and MD simulations showed that the confined methane molecules are organized in a core–shell structure, with the shell arising from the adsorption of methane molecules on the silica surface. The shell thicknesses of the adsorbed deuterated methane (CD4) molecules in MCM-41 obtained by SANS measurements are 1.4 ± 0.5, 2.1 ± 0.1, 3.2 ± 0.8, 4.0 ± 0.3, and 6.0 ± 0.7 Å at equilibrated pressures of 15.6, 35.6, 55.5, 73.3, and 95.7 bar, respectively. The shell thicknesses of the adsorbed CD4 layer in SBA-15 pores are 2.7 ± 0.5, 4.3 ± 0.7, 6.6 ± 0.7, 10.2 ± 0.3, and 14.6 ± 0.8 Å at equilibrated pressures of 15.5, 32.7, 52.4, 70, and 99.5 bar, respectively. These experimental results are in close agreement with the results predicted from MD simulations. Adsorption of methane molecules on the silica surfaces is primarily driven by van der Waals interactions between the methane molecules and the hydroxyl groups on the silica surface, while electrostatic interactions play a minor role. In conclusion, the experimental and simulation approaches described in this study provide fundamental insights into the organization of confined gases using methane as a specific example in the context of compressed fluid storage in natural and engineered materials for adaptive energy use.

03 NATURAL GAS↗
DOE OSTI2021

Evolution of texture and internal stresses within polycrystalline rock salt using in situ 3D synchrotron computed tomography and 3D X-ray diffraction

Over time rock salt caverns have been extensively used as reliable repositories for hazardous waste such as nuclear waste, oil or compressed gases. Undisturbed rock salt deposits in nature are usually impermeable and have very low porosity. However, rock salt formations under excavation stresses can develop crack networks, which increase their porosities; and in the case of a connected crack network within the media, rock salt may become permeable. Although the relationship between the permeability of rock salt and the applied stresses has been reported in the literature, a microscopic study that investigates the properties influencing this relationship, such as the evolution of texture and internal stresses, has yet to be conducted. This study employs in situ 3D synchrotron micro-computed tomography and 3D X-ray diffraction (3DXRD) on two small-scale polycrystalline rock salt specimens to investigate the evolution of the texture and internal stresses within the specimens. The 3DXRD technique measures the 3D crystal structure and lattice strains within rock salt grains. The specimens were prepared under 1D compression conditions and have shown an initial {111} preferred texture, a dominant {110}$\langle1\bar{1}0\rangle$ slip system and no fully connected crack network. The {111} preferred texture under the unconfined compression experiment became stronger, while the {111}$\langle1\bar{1}0\rangle$ slip system became more prominent. The specimens did not have a fully connected crack network until applied axial stresses reached about 30 MPa, at a point where the impermeability of the material becomes compromised due to the development of multiple major cracks.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Computing Thermodynamic Properties of Fluids Augmented by Nanoconfinement: Application to Pressurized Methane

Nanoconfined fluids exhibit remarkably different thermodynamic behavior compared to the bulk phase. These confinement effects render predictions of thermodynamic quantities of nanoconfined fluids challenging. In particular, confinement creates a spatially varying density profile near the wall that is primarily responsible for adsorption and capillary condensation behavior. Significant fluctuations in thermodynamic quantities, inherent in such nanoscale systems, coupled to strong fluid–wall interactions give rise to this near-wall density profile. Empirical models have been proposed to explain and model these effects, yet no first-principles based formulation has been developed. We present a statistical mechanics framework that embeds such a coupling to describe the effect of the fluid–wall interaction in amplifying the near-wall density behavior for compressible gases at elevated pressures such as pressurized methane in confinement. We show that the proposed theory predicts accurately the adsorbed layer thickness as obtained with small-angle neutron scattering measurements. Furthermore, the predictions of density under confinement from the proposed theory are shown to be in excellent agreement with available experimental and atomistic simulations data for a range of temperatures for nanoconfined methane. While the framework is presented for evaluating the near-wall density, owing to its rigorous foundation in statistical mechanics, the proposed theory can also be generalized for predicting phase-transition and nonequilibrium transport of nanoconfined fluids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Extreme compression of planetary gases: High-accuracy pressure-density measurements of hydrogen-helium mixtures above fourfold compression

Hydrogen (H 2 ) and helium (He), the most abundant elements in the universe, pose a unique challenge in measuring the equation of state of the mixture, owing to their differing physical properties. There remains a need for data with high enough precision to discriminate between existing equation of state (EOS) mix models in order to understand the internal structure of gas-giant planets. Here, we have measured the EOS of precompressed H 2 - He mixtures at conditions directly relevant to the planetary interiors using hypervelocity gas guns and Sandia’s Z machine with less than 10% uncertainty in density, enabling validation of mixture models. We precompressed 50:50 molar mixtures of H 2 -He to 0.1–0.2 GPa and directly measured particle velocity (in gas-gun experiments) and shock velocities (in Z-machine experiments). To complement the experimental efforts, we also computed the Hugoniots of precompressed H 2 -He mixtures using density-functional-theory-based molecular dynamics. Furthermore, we observe approximately 3- to 4.3-fold density compression at pressures up to 44 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Integrated hydrogen generator and compressor with related method

An integrated hydrogen generator and compressor (200) that includes a combined engine compressor (collectively 109, 110, 111) and steam-methane reformer (104) to produce high-pressure hydrogen from natural gas (methane). The reformer (104) combines methane, water, and heat under high pressure in the presence of an appropriate catalyst, to produce hydrogen utilizing waste heat from combustion cylinders of the combined engine compressor (collectively 109, 110, 111). Compression serves to pressurize two different gases (methane and hydrogen) in different compression cylinders including the compression cylinders (109a, 109b, 109c) of the combined engine compressor (collectively 109, 110, 111) alternatively and/or optionally combined with internal combustion engine (310) and/or gas compressor(s) (410) that are integrated thermally and via communication of compressed gases.

08 HYDROGEN↗
DOE OSTI1991

Pressure Safety Training (Rev. 8)

This is the workbook for the Pressure Safety Training Course. It is intended as a reference manual and guide for all work with pressurized liquids or gases. This workbook contains basic references to make work with pressure safer. It is intended to supplement classroom instruction, rather than serve as a definitive text on pressure. Earlier versions of the manual were intended specifically for training at Lawrence Livermore National Laboratory. This revision is a generic version intended for training at all DOE facilities. The information in the Standards chapter is from the LLNL Health and Safety Manual. It is included here as a convenient reference and guide for developing similar standards at your own facility.

42 ENGINEERING↗
DOE OSTI2020

Ability of Particulate Matter Index to describe sooting tendency of various gasoline formulations in a stratified-charge spark-ignition engine

This study investigates the ability of Particulate Matter Index (PMI) to describe the sooting behavior of various gasoline formulations in a stratified-charge (SC) spark-ignition engine. Specifically, the engine was operated at 2000 rpm with an intake pressure of 130 kPa where soot formation is known to primarily occur in the bulk gases. Exhaust soot emissions were measured for nine test fuels at various exhaust gas recirculation levels. A comparison between measured soot levels and PMI shows that PMI is a relatively poor predictor of the sooting tendency of the tested fuels under lean SC combustion. Among the fuels, three fuels, namely the diisobutylene blend, High Olefin, and E30 fuels exhibit measured soot behavior opposite of that predicted by PMI. Optical diagnostics were utilized to further investigate the in-cylinder phenomena for these three fuels. Analysis of natural luminosity and diffused back-illumination extinction imaging suggests that fuel-induced differences in the amount of soot formed are responsible for a majority of the discrepancy in measured versus predicted sooting tendency. Fuel-induced differences in soot oxidation and spray development seem to play minor roles. Because the combustion and air-fuel mixing processes for lean SC combustion are different from conventional stoichiometric operation it is hypothesized that the PMI correlation needs to be modified to account for differences in stoichiometric air-fuel ratio and level of oxygenation between fuels. Furthermore, the role of fuel volatility in PMI possibly needs to be de-emphasized for SC operation with fuel injection into compression-heated gases.

42 ENGINEERING↗
DOE OSTI2022

Synthesis, Structure, and Electric Conductivity of Higher Hydrides of Ytterbium at High Pressure

While most of the rare-earth metals readily form trihydrides, due to increased stability of the filled 4f electronic shell for Yb(II), only YbH 2.67 , formally corresponding to Yb II (Yb III H 4 ) 2 (or Yb 3 H 8 ), remains the highest hydride of ytterbium. Utilizing the diamond anvil cell methodology and synchrotron powder X-ray diffraction, we have attempted to push this limit further via hydrogenation of metallic Yb and Yb 3 H 8 . Compression of the latter has also been investigated in a neutral pressure-transmitting medium (PTM). While the in situ heating of Yb facilitates the formation of YbH 2+x hydrides, we have not observed clear qualitative differences between the systems compressed in H 2 and He or Ne PTM. In all of these cases, a sequence of phase transitions occurred within ca. 13–18 GPa (P$\bar{31}$m–I4/m phase) and around 27 GPa (to the I4/mmm phase). The molecular volume of the systems compressed in H 2 PTM is ca. 1.5% larger than of those compressed in inert gases, suggesting a small hydrogen uptake. Nevertheless, hydrogenation toward YbH 3 is incomplete, and polyhydrides do not form up to the highest pressure studied here (ca. 75 GPa). As pointed out by electronic transport measurements, the mixed-valence Yb 3 H 8 retains its semiconducting character up to >50 GPa, although the very low remnant activation energy of conduction (<5 meV) suggests that metallization under further compression should be achievable. Finally, we provide a theoretical description of a hypothetical stoichiometric YbH 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Machine learning visualization tool for exploring parameterized hydrodynamics

We are interested in the computational study of shock hydrodynamics, i.e. problems involving compressible solids, liquids, and gases that undergo large deformation. These problems are dynamic and nonlinear and can exhibit complex instabilities. Due to advances in high performance computing it is possible to parameterize a hydrodynamic problem and perform a computational study yielding $\mathscr{O} (TB)$ of simulation state data. We present an interactive machine learning tool that can be used to compress, browse, and interpolate these large simulation datasets. This tool allows computational scientists and researchers to quickly visualize 'what-if' situations, perform sensitivity analyses, and optimize complex hydrodynamic experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Benchmarking the Suitability of Novec$^{\mathrm{TM}}$ 4710 for Application in Flux Compression Generators

Here, an experimental study evaluated the feasibility of replacing traditional insulating gases such as SF 6 with C 4 F 7 N (3M TM , Novec 4710) in flux compression generator (FCG) applications. Currently available data indicate that Novec 4710 could offer certain performance benefits over SF 6 . However, the available literature is focused on low frequency (50–60 Hz) and dc at static pressures. To evaluate the performance of Novec 4710 under the pulsed dynamic pressure and temperature conditions found in an FCG, we report a performance comparison between three sets of identical FCGs using air, SF 6 , and Novec 4710 as the insulating gas. The generators used in this study had a single stage, directly seeded design with an armature diameter of 25 mm and a stator diameter of 46 mm. To highlight the performance of the different gases rather than any wire insulation, the stator was constructed with uninsulated wire. Furthermore, the generators were seeded aggressively, making the performance difference between the different gases more apparent. The performance was monitored with a pair of differential Rogowski coils that captured the generators’ di / dt while also using high-speed videography to capture possible gaseous breakdown signatures. The data gathered during this study indicate that Novec 4710 performs at least as well as SF 6 in FCG applications, if not significantly better.

42 ENGINEERING↗
DOE OSTI2021

Cryogenic Carbon Capture™ Technoeconomic Analysis

The Cryogenic Carbon Capture™ (CCC) process significantly decreases cost and energy demands for CO 2 separation and pressurization to 150 bar compared to alternatives. The process is a post-combustion technology that cools CO 2 -laden flue gas to desublimation temperatures (-100 to -135 °C), separates solid CO 2 —that forms from the flue gas—from the light gases, uses the cold products to cool incoming gases in a recuperative heat exchanger, compresses the solid/liquid CO 2 to final pressures (100–200 bar), and delivers a compressed CO 2 stream separated from an atmospheric pressure light-gas stream. The overall energy and economic costs are about 30-50% lower than most competing processes that involve air separation units (ASUs), solvents, or similar technologies. In addition, the CCC process enjoys several ancillary benefits, including (a) it is a minimally invasive Bolton technology, (b) it provides highly efficient removal of most pollutants (Hg, SOx, NO 2 , HCl, etc.), and (c) possible energy storage capacity. This report outlines the process details and economic and energy comparisons relative to other well-documented alternatives. This paper presents the results of a detailed techno-economic comparison of CCC with amine-based systems. The comparison uses identical financial and economic assumptions similar process assumptions as the detailed analyses published by US DOE in the greenfield analysis. Specifically, the comparison assumes power plants that produce the same net output, one equipped with and a second without carbon capture. Separately, the paper compares similar analyses for retrofitting existing systems using typical plant characteristics in the US (initial capital costs have been paid, high plant utilization), though there are no DOE estimates available for direct comparison. Financial and technical assumptions for all comparisons are maintained as close to the DOE reference studies as possible. The results demonstrate about 30-50% lower costs and energy demands for capture from greenfield coal plants. Natural gas plants produce substantially lower CO 2 concentrations which makes the cost of capturing a ton of CO 2 at the same capture rate as the coal plant higher for all processes while the cost of CO 2 capture per unit of power generation is lower. However, CCC maintains about the same absolute energy and cost advantages for NG as for coal compared to amine systems. Finally, the costs of retrofitting a station are compared to those of building a new station with and without capture. The retrofit costs are comparable to (slightly lower than) new plant costs without capture. In all cases operating and capital cost comparisons show that the CCC process can be retrofitted to a variety of plants to cost effectively reduce CO 2 emissions. Further process integration into the upstream processes and unique process features like water recovery, and integrated energy storage bring the effective cost of carbon capture using the CCC process down further and increase its advantages over alternatives. This technoeconomic analysis shows that the CCC process has the potential to the be lowest cost carbon capture technology under development today.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

Nonlinear post-compression to sub-20 fs using a single-stage multipass cell filled with ambient air

Noble gas-filled multipass cells have proven to be very effective in compressing high-energy, hundreds-of-femtoseconds pulses down to tens of femtoseconds. Molecular gases can be an attractive alternative to noble gases since they provide additional Raman nonlinearities that can be much stronger than the electronic Kerr nonlinearity and can therefore enable more spectral broadening and shorter compressed pulses. Air at atmospheric pressure offers molecular gases in their simplest format, with both easy access and no costs for implementing a gas chamber. Here we demonstrate a single-stage, air-filled multipass cell that spectrally broadens 145- μ J, 185-fs pulses with >90% throughput, with a small fraction of the output compressed to sub-20 fs using a prism-pair compressor. The multipass cell uses standard broadband mirrors without dispersion engineering and ambient air as the nonlinear medium, making it the simplest and most cost-effective solution for generating few-cycle femtosecond pulses.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Efficient generation and extreme compression of multidimensional solitary states in molecular gas-filled hollow-core fibers driven by picosecond Yb lasers

We present an in-depth study on the impact of spatiotemporal Raman enhancement in molecular gas-filled hollow-core fibers (HCFs), demonstrating the efficient generation and post-compression of multidimensional solitary states (MDSS). Through different experimental scenarios—employing large-core HCFs filled with molecular gases (N 2 and N 2 O) and driven by high energy, sub-picosecond and picosecond Fourier transform-limited ytterbium laser pulses—this work leverages multimode propagation and enhanced spatiotemporal interactions to achieve significant spectral broadening and asymmetric redshift, contrasting sharply with self-phase modulation. Our findings reveal that, beyond the regime of maximum nonadiabatic molecular alignment, spatiotemporal nonlinear enhancement primarily governs spectral broadening for input pulse durations up to 1 ps. The process shows limited sensitivity to input pulse duration and the two investigated molecular gases (N 2 and N 2 O), with only subtle differences in broadening arising from their distinct Raman spectroscopic properties. Furthermore, post-compression of MDSS was achieved in various cases. Notably, using 7 mJ, 1 ps laser pulses, we generated 22 fs pulses with a 47% energy conversion efficiency of the input pulse energy. These results position MDSS as a powerful platform for generating high-energy, ultrashort pulses with tunable wavelengths, offering a robust solution for applications such as high harmonic generation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Comparative study of spectral broadening and few-cycle compression of Yb:KGW laser pulses in gas-filled hollow-core fibers

While industrial-grade Yb-based amplifiers have become very prevalent, their limited gain bandwidth has created a large demand for robust spectral broadening techniques that allow for few-cycle pulse compression. In this work, we perform a comparative study between several atomic and molecular gases as media for spectral broadening in a hollow-core fiber geometry. Exploiting nonlinearities such as self-phase modulation, self-steepening, and stimulated Raman scattering, we explore the extent of spectral broadening and its dependence on gas pressure, the critical power for self-focusing, and the optimal regime for few-cycle pulse compression. Using a 3-mJ, 200-fs input laser pulses, we achieve 17 fs, few-cycle pulses with 80% fiber energy transmission efficiency. The optimal parameters can be scaled for higher or lower input pulse energies with appropriate gas parameters and fiber geometry.

Shalaby, Islam (ORCID:0000000332846636)↗
DOE OSTI2021

Top 13 Blendstocks Derived from Biomass for Mixing-Controlled Compression-Ignition (Diesel) Engines: Bioblendstocks with Potential for Decreased Emissions and Improved Operability

Reducing the impacts of medium- and heavy-duty (MD/HD) ground transportation can be enabled by fuel-engine combinations that use lower compression ignition liquid fuels and reduce criteria pollutant emissions. Fuels and blendstocks combined with advanced engine technologies could reduce the cost of ownership and the emission of pollutants, including soot, nitrogen oxides (NOx) and greenhouse gases (GHGs), from MD/HD vehicles. This report describes the evaluation and screening of MD/HD mixing-controlled compression ignition (MCCI) biofuel candidates for further development and commercialization. The report is aimed at 1) biofuel researchers looking to better understand options to reduce criteria pollutant and GHG emissions while maintaining efficiency and meeting requirements for engine operability and 2) engine researchers who want to evaluate biofuels that meet diesel fuel properties for their impact on conventional and advanced diesel combustion strategies.

09 BIOMASS FUELS↗
DOE OSTI2022

Studying of multi-shell gas-puff Z-pinches using x-ray spectroscopy with spatial resolution

Dynamics and parameters of gas-puff Z-pinch plasmas at stagnation were studied using x-ray spectroscopic diagnostics. In experiments on a 1 MA pulsed power generator, multilayer coaxial loads were made using a triple-nozzle gas-puff valve. High-luminosity spectrographs with spherically bent crystals made it possible to record spectra with high spatial resolution along the pinch axis and to record two-dimensional plasma images in separate spectral lines. Using various combinations of gases in the nozzles and adding small amounts of a gas tracer, the final structure and composition of the compressed plasma were determined. Furthermore, plasma parameters were estimated by modeling the spectra using the PrismSPECT program, but with the limitation that the spectra were time-integrated, so that spectra from different gases and at different positions may have been emitted at different times.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗