Search NASA⌕ Search

SEARCH · Search NASA

Results for “Molecular gas”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The ALMaQUEST Survey. VII. Star Formation Scaling Relations of Green Valley Galaxies

We utilize the ALMA-MaNGA QUEnch and STar formation (ALMaQUEST) survey to investigate the kpc-scale scaling relations, presented as the resolved star-forming MS (rSFMS: Σ SFR versus Σ * ), the resolved Schmidt–Kennicutt relation (rSK: Σ SFR versus ${{\rm{\Sigma }}}_{{{\rm{H}}}_{2}}$), and the resolved molecular gas MS (rMGMS: ${{\rm{\Sigma }}}_{{{\rm{H}}}_{2}}$ versus Σ * ), for 11,478 star-forming and 1414 retired spaxels (oversampled by a factor of ~20) located in 22 GV and 12 MS galaxies. For a given galaxy type (MS or GV), the retired spaxels are found to be offset from the sequences formed by the star-forming spaxels on the rSFMS, rSK, and rMGMS planes, toward lower absolute values of sSFR, SFE, and ${f}_{{{\rm{H}}}_{2}}$ by ~1.1, 0.6, and 0.5 dex. The scaling relations for GV galaxies are found to be distinct from that of the MS galaxies, even if the analyses are restricted to the star-forming spaxels only. It is found that, for star-forming spaxels, sSFR, SFE, and ${f}_{{{\rm{H}}}_{2}}$ in GV galaxies are reduced by ~0.36, 0.14, and 0.21 dex, respectively, compared to those in MS galaxies. Therefore, the suppressed sSFR/SFE/f gas in GV galaxies is associated with not only an increased proportion of retired regions in GV galaxies but also a depletion of these quantities in star-forming regions. Finally, the reduction of SFE and ${f}_{{{\rm{H}}}_{2}}$ in GV galaxies relative to MS galaxies is seen in both bulge and disk regions (albeit with larger uncertainties), suggesting that, statistically, quenching in the GV population may persist from the inner to the outer regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Catastrophic Cooling in Superwinds. III. Nonequilibrium Photoionization

Observations of some starburst-driven galactic superwinds suggest that strong radiative cooling could play a key role in the nature of feedback and the formation of stars and molecular gas in star-forming galaxies. These catastrophically cooling superwinds are not adequately described by adiabatic fluid models, but they can be reproduced by incorporating nonequilibrium radiative cooling functions into the fluid model. In this work, we have employed the atomic and cooling module maihem implemented in the framework of the flash hydrodynamics code to simulate the formation of radiatively cooling superwinds as well as their corresponding nonequilibrium ionization (NEI) states for various outflow parameters, gas metallicities, and ambient densities. We employ the photoionization program cloudy to predict radiation- and density-bounded photoionization for these radiatively cooling superwinds, and we predict UV and optical line emission. Our nonequilibrium photoionization models built with the NEI states demonstrate the enhancement of C iv, especially in metal-rich, catastrophically cooling outflows, and O vi in metal-poor ones.

Cooling flows↗
DOE OSTI2021

Molecular bridge-mediated ultralow-power gas sensing

Abstract We report the electrical detection of captured gases through measurement of the quantum tunneling characteristics of gas-mediated molecular junctions formed across nanogaps. The gas-sensing nanogap device consists of a pair of vertically stacked gold electrodes separated by an insulating 6 nm spacer (~1.5 nm of sputtered α-Si and ~4.5 nm ALD SiO 2 ), which is notched ~10 nm into the stack between the gold electrodes. The exposed gold surface is functionalized with a self-assembled monolayer (SAM) of conjugated thiol linker molecules. When the device is exposed to a target gas (1,5-diaminopentane), the SAM layer electrostatically captures the target gas molecules, forming a molecular bridge across the nanogap. The gas capture lowers the barrier potential for electron tunneling across the notched edge region, from ~5 eV to ~0.9 eV and establishes additional conducting paths for charge transport between the gold electrodes, leading to a substantial decrease in junction resistance. We demonstrated an output resistance change of >10 8 times upon exposure to 80 ppm diamine target gas as well as ultralow standby power consumption of <15 pW, confirming electron tunneling through molecular bridges for ultralow-power gas sensing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Regulating Gas Transport in Molecularly Engineered Polymer Membranes (Final Technical Report)

Energy-efficient separation processes are essential for a wide range of applications ranging from clean fuels (e.g., hydrogen purification) and petroleum refining (e.g., natural gas processing) to water purification and carbon capture. Membrane-mediated separations have shown tremendous promise in providing high productivity and high separation efficiency at significantly lower energy consumption, e.g., up to 90% less energy cost than traditional thermally driven processes such as distillation. Polymeric membranes–the dominant separation membrane materials–have yet to reach their full potential due to their limitations in long-term durability (e.g., productivity loss over the period of their lifetime due to physical aging) or insufficient stability under harsh conditions (e.g., high temperature, chemically complex feeds). This research seeks to establish a new paradigm in polymer membrane material design by harnessing crosslinked model networks with well-defined yet finely tailorable microstructure to facilitate fast and selective gas transport and simultaneously enhance membrane stability. Unlike traditional randomly crosslinked polymers, which suffer from structural inconsistencies and consequently suboptimal gas separation performance, crosslinked model network membranes prepared via a precisely controlled end-linking process enables the creation of previously unattainable microstructure tunability, which, in turn, results in versatile crosslinked membranes with high separation performance that meet the needs of various challenging gas separations. Using model network framework as a fundamental tool by applying this concept in diverse polymer categories, this work has led to the development of various innovative crosslinked membrane structures such as unimodal, bimodal and clustered model networks. These advanced crosslinked polymer membranes not only demonstrate exceptional gas separation performance that significantly outperform existing randomly crosslinked membranes, but also possess excellent long-term durability and robust stability under complex operating conditions. From a fundamental perspective, results from this research provide critical mechanistic insights into gas separation in crosslinked polymer membranes, addressing key knowledge gaps and opening new avenues for membrane design to meet various separation needs. The new membrane materials produced from this research enable the use of polymeric membranes for high temperature gas separations, offering substantial energy and cost savings by eliminating the need for repeated cooling-heating cycles in industrial processes.

02 PETROLEUM↗
DOE OSTI2020

Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data

We engineered a machine learning approach, MSHub, to enable auto-deconvolution of gas chromatography–mass spectrometry (GC–MS) data. We then designed workflows to enable the community to store, process, share, annotate, compare and perform molecular networking of GC–MS data within the Global Natural Product Social (GNPS) Molecular Networking analysis platform. MSHub/GNPS performs auto-deconvolution of compound fragmentation patterns via unsupervised non-negative matrix factorization and quantifies the reproducibility of fragmentation patterns across samples.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Carbon molecular sieve membrane for gas separations

An ultrathin high permselectivity carbon molecular sieve membrane (CMSM) for industrial gas separations is provided. The CMSM includes porous metal or ceramic supports to provide superior stability at high temperatures, pressures and chemical environments. The CMSM also offers the potential for cost-effective gas processing while overcoming disadvantages found in alternative media that are fragile and susceptible to shock due to thermal cycling and prone to end-sealing problems under industrial conditions.

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

Selectivity in gas–liquid interactions: Molecular beam scattering of CD 4 and ND 3 from an aqueous flat liquid jet

The dynamics of polar and nonpolar molecules colliding with an aqueous surface are characterized by scattering molecular beams of deuterated methane and ammonia, CD 4 and ND 3 (E i = 28.9 and 30.3 kJ mol −1 , respectively), from a flat liquid jet of cold salty water (8 m LiBr, 230 K). Translational energy distributions of scattered species collected as a function of collision geometry probe both impulsive scattering (IS) and thermal desorption (TD) mechanisms. Here, we find that CD 4 scattering is dominated by IS and exhibits a super-specular angular distribution. The fraction of TD scattering events is notably smaller for cold salty water than for dodecane, consistent with a higher free energy of solvation for CD 4 in the water jet. In contrast, no scattering signal is seen for ND 3 from the water jet, a result attributed to the high solubility and efficient protonation of ND 3 in liquid water. The IS channel for CD 4 was analyzed using a soft-sphere model, yielding a higher internal energy (E int ) and lower effective surface mass (m eff ) than was seen for Ne/water; the higher value of E int is attributed to rotational excitation of the scattered CD 4 . These findings demonstrate that the outcomes of a gas–liquid collision—scattering trajectory, surface adherence, and energy transfer—are directed at the molecular level by both the gaseous scatterer and liquid surface.

Foreman, Madison M. [University of California, Ber↗
DOE OSTI2025

An Unconventional Dark Radical Chemistry in Dense Molecular Clouds: Directed Gas-Phase Formation of Naphthyl Radicals

The synthetic pathways to aromatic molecules inside photon-shielded dense molecular clouds remain a fundamental, unsolved enigma in astrochemistry and astrophysics, with low-temperature molecular growth routes involving aromatic radicals, such as prototype bicyclic naphthyl (C 10 H 7 • ), implicated as key sources. Here, exploiting crossed molecular beam experiments augmented by electronic structure calculations, unexpected pathways are exposed leading to the gas-phase formation of 1- and 2-naphthyl via barrierless bimolecular reactions of atomic carbon (C) with indene (C 9 H 8 ) and of dicarbon (C 2 ) with styrene (C 8 H 8 ) accompanied by ring expansion and cyclization together with aromatization. These facile routes challenge conventional wisdom that aromatic radicals are formed in deep space solely via “bright” gas-phase photochemistry of their closed-shell polycyclic aromatic hydrocarbon (PAH) precursors. A hitherto disregarded “dark” aromatic radical chemistry with aromatic radicals synthesized via gas-phase reactions offers new concepts on the chemical evolution of the chemistry of dark molecular clouds eventually culminating in the rapid formation of aromatics, fullerenes, and carbonaceous nanostructures.

Aromatic compounds↗
DOE OSTI2021

Generation of excited species in a streamer discharge

At or near atmospheric pressure, most transient discharges, particularly in molecular gases or gas mixture containing molecular gases result in a space-charge dominated transport called a streamer discharge. The excited species generation in such discharges forms the basis for plasma chemistry in most technological applications. In this paper we simulate the propagation of streamers in atmospheric pressure N 2 to understand the energy partitioning in the formation of various excited species and compare the results to a uniform Townsend discharge. The model is fully two-dimensional with azimuthal symmetry. Results show a significantly larger fraction of the energy goes into vibrational excitation of the N 2 ground state in a streamer-type discharge in comparison to a Townsend discharge. For lower applied voltages, the anode-directed (negative) steamer is slightly more efficient in channeling energy for excited species production in comparison to a cathode-directed (positive) streamer. Near 70% overvoltage both types of streamers show very similar energy partitioning but quite different from a Townsend discharge.

42 ENGINEERING↗
DOE OSTI2020

Adaptive simulations enable computational design of electron beam processing of nanomaterials with supersonic micro-jet precursor

Focused Electron Beam Induced Processing (FEBIP) is a powerful tool for the “direct-write” of nanomaterials with the possibility of atomistic control on suspended 2D material substrates. FEBIP capabilities have been significantly expanded by using a localized jet-based delivery of precursors, and especially when a thermally energized supersonic micro-jet enhances the delivery of mass flux along with controlling the far-from-equilibrium thermodynamic state of adsorbed adatoms. The possibilities of growing nanomaterials with “dialed-in” composition with ultra-high growth rates and aspect ratios up to 100:1 have been demonstrated using the supersonic micro-jet-FEBIP. Bringing this scientific discovery to the level of maturity required for practical applications in additive nanomanufacturing requires simulation tools that are capable of capturing the complex flow physics of micro-jet-substrate interactions that bridge a wide range of flow regimes from the high-density gas micro-jet expanding into the vacuum environment of FEBIP. To address this significant computational challenge, a new approach has been developed and described in this work for a multiscale adaptive DSMC (Direct Simulation Monte Carlo) algorithm to predict the micro-jet gas dynamics in an FEBIP environment, spanning the full range of flow regimes from low Knudsen (Kn) number O(0.01) continuum flow to high Kn of O(10) for the molecular flow within a unified computational framework. Here, the fundamental principles of the adaptive DSMC algorithm are described, its viability as a DSMC technique is demonstrated, and computational improvements for the benchmark cases are discussed in the context of advancing 3D nanofabrication with FEBIP. Ultimately, combining the first principle simulations via adaptive DSMC with the complementary experimental data will enable the creation of the powerful CAD tools for in silico design and optimal operation of micro-jet-FEBIP.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Observational constraints on the multiphase nature of outflows using large spectroscopic surveys at z ∼ 0

ABSTRACT Mass outflow rates and loading factors are typically used to infer the quenching potential of galactic-scale outflows. However, these generally rely on observations of a single gas phase that can severely underestimate the total ejected gas mass. To address this, we use observations of high mass (≥1010 M⊙), normal star-forming galaxies at z ∼ 0 from the MaNGA, xCOLD GASS, xGASS, and ALFALFA surveys and a stacking of Na d, Hα, CO(1–0), and H i 21 cm tracers with the aim of placing constraints on an average, total mass outflow rate, and loading factor. We find detections of outflows in both neutral and ionized gas tracers, with no detections in stacks of molecular or atomic gas emission. Modelling of the outflow components reveals velocities of |vNa d| = 131 km s−1 and |vHα| = 439 km s−1 and outflow rates of $\dot{M}_{\rm {Na\,\small{D}}}$ = 7.55 M⊙ yr−1 and $\dot{M}_{\text{H}\alpha }$ = 0.10 M⊙ yr−1 for neutral and ionized gas, respectively. Assuming a molecular/atomic outflow velocity of 200 km s−1, we derive upper limits of $\dot{M}_{\text{CO}}\lt 19.43$ M⊙ yr−1 and $\dot{M}_{\rm {H\,\small {I}}}\lt $ 26.72 M⊙ yr−1 for the molecular and atomic gas, respectively. Combining the detections and upper limits, we find average total outflow rates of $\dot{M}_{\text{tot}}\lesssim$27 M⊙ yr−1 and a loading factor of ηtot ≲ 6.39, with molecular gas likely contributing ≲72 per cent of the total mass outflow rate, and neutral and ionized gas contributing ∼28 and <1 per cent, respectively. Our results suggest that, to first order, a degree of quenching via ejective feedback could occur in normal galaxies when considering all gas phases, even in the absence of an active galactic nucleus.

Roberts-Borsani, G. W.↗