SEARCH · Search NASA

Results for “cascade reaction”

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.

SourceResearch connectionFrom yearThrough year

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

At least 145 records · Page 8

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Developmental assembly of multi-component polymer systems through interconnected synthetic gene networks in vitro

Abstract Living cells regulate the dynamics of developmental events through interconnected signaling systems that activate and deactivate inert precursors. This suggests that similarly, synthetic biomaterials could be designed to develop over time by using chemical reaction networks to regulate the availability of assembling components. Here we demonstrate how the sequential activation or deactivation of distinct DNA building blocks can be modularly coordinated to form distinct populations of self-assembling polymers using a transcriptional signaling cascade of synthetic genes. Our building blocks are DNA tiles that polymerize into nanotubes, and whose assembly can be controlled by RNA molecules produced by synthetic genes that target the tile interaction domains. To achieve different RNA production rates, we use a strategy based on promoter “nicking” and strand displacement. By changing the way the genes are cascaded and the RNA levels, we demonstrate that we can obtain spatially and temporally different outcomes in nanotube assembly, including random DNA polymers, block polymers, and as well as distinct autonomous formation and dissolution of distinct polymer populations. Our work demonstrates a way to construct autonomous supramolecular materials whose properties depend on the timing of molecular instructions for self-assembly, and can be immediately extended to a variety of other nucleic acid circuits and assemblies.

Science & Technology - Other Topics↗

DOE OSTI2020

Terahertz Spectroscopy of Gas Mixtures with Dual Quantum Cascade Laser Frequency Combs

Terahertz laser frequency combs based on quantum cascade lasers provide coherent, broadband, electrically pumped, THz radiation sources for use in future spectroscopic applications. In this work, we explore the feasibility of such lasers in a dual-comb spectroscopy configuration for the detection of multiple molecular samples in the gas phase. The lasers span approximately 180 GHz of optical bandwidth, centered at 3.4 THz, with submilliwatt total optical power. One of the main advantages of dual-comb spectroscopy is its high speed, which opens up the possibility for direct observations of chemical reaction dynamics in the terahertz spectral region. As a proof-of-concept, we recorded continuously evolving spectra from gas mixtures with 1 ms temporal resolution.

42 ENGINEERING↗

DOE OSTI2021

Shock tube investigation of high-temperature, extremely-rich oxidation of several co-optima biofuels for spark-ignition engines

To reduce the reliance on fossil fuels in the transportation sector and increase combustion efficiency, the Co-Optima initiative from US Department of Energy identified the top 10 biofuels for downsized, boosted, spark-ignition engines. Most of these biofuels have detailed reaction mechanisms available in literature developed based on studies at temperatures lower than 1700 K and an equivalence ratio of less than five. As such, the performance of these detailed mechanisms at high temperature and extremely rich conditions are unknown. It is important to validate kinetic mechanisms at these conditions because they are conducive to soot formation. Prediction of soot by chemical kinetic models relies on the prediction of underlying benchmark species like carbon monoxide and ethylene. In this work, we conduct high temperature (1700–2050 K) and high equivalence ratio(Φ=8.6) oxidation of these biofuels, namely 2,4,4-trimethyl-1-pentene (α-diisobutylene), ethanol, cyclopentanone, methyl acetate, and 2-methylfuran, blended in ethylene behind reflected shock waves at 4–4.7 atm pressure. Carbon monoxide and ethylene time histories are measured simultaneously using a continuous feedback quantum cascade laser near 4.9 µm and a tunable CO 2 gas laser at 10.532 nm, respectively. Results show that ethanol blend forms more carbon monoxide than other biofuels and consumes ethylene faster than the biofuel blends in the temperature range considered. Overall, the performance of different mechanisms in literature are evaluated against the experimental results. The novel reaction mechanism ‘the Co-Optima model’, which includes the sub mechanisms for all the biofuels in this study, was found to be the best mechanism for the experimental conditions studied.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1979

Cosmic ray ionization of the Jovian atmosphere

An approximate form of the Boltzmann equation has been used to obtain local ionization rates due to the absorption of galactic cosmic rays in the Jovian atmosphere. It is shown that the muon flux component of the cosmic-ray-induced cascade may be especially important in ionizing the atmosphere at levels where the total number density exceeds 10 to the 19th per cu cm (well below the ionospheric layers produced by solar EUV). A model containing both positive and negative ion reactions has been employed to compute electron and ion number densities. Peak electron number densities of the order of 1000 per cu cm may be expected even at relatively low magnetic latitudes. The dominant positive ions are NH4(+) and CnHm(+) cluster ions, with n at least 2; it is suggested that the absorption of galactic cosmic-ray energy at such relatively high pressures in the Jovian atmosphere (M about 10 to the 18th to 10 to the 20th per cu cm) and the subsequent chemical reactions may be instrumental in the local formation of complex hydrocarbons.

Capone, L. A.↗

DOE OSTI2022

The Generalized Spallation Model

The Generalized Spallation Model (GSM) event generator is an advanced, robust, and scalable Fortran code developed from an extended and improved version of the earlier event generator codes CEM03.03 and LAQGSM03.03. The GSM implements its algorithms within the context of cascade exciton, particle equilibration, particle evaporation, and particle disintegration models sampled via Monte-Carlo techniques. Coalescence of particles is also considered. The GSM assumes the incident particles has sufficient energy to satisfy the assumptions utilized in the GSM. The GSM calculates reactions induced by hadrons and nuclei incident on nuclear targets at incident energies ranging from ~20 MeV up to several TeV per nucleon. Usage of GSM is recommended however for particles with incident energies exceeding ~100 MeV to ensure model-assumptions are satisfied. The GSM additionally provides its clients with sub-model libraries to allow them to model desired physics within their own physical models.

Juneau, Chase↗

DOE OSTI2021

Engineering Second Sphere Interactions in a Host–Guest Multicomponent Catalyst System for the Hydrogenation of Carbon Dioxide to Methanol

Many enzymes utilize interactions extending beyond the primary coordination sphere to enhance catalyst activity and/or selectivity. Such interactions could improve the efficacy of synthetic catalyst systems, but the supramolecular assemblies employed by biology to incorporate second sphere interactions are challenging to replicate in synthetic catalysts. Herein, a strategy is reported for efficiently manipulating outer sphere influence on catalyst reactivity by modulating host–guest interactions between a noncovalently encapsulated transitionmetal-based catalyst guest and a metal–organic framework (MOF) host. This composite consists of a ruthenium PNP pincer complex encapsulated in the MOF UiO-66 that is used in tandem with the zirconium oxide nodes of UiO-66 and a ruthenium PNN pincer complex to hydrogenate carbon dioxide to methanol. Due to the method used to incorporate the complexes in UiO-66, structure–activity relationships could be efficiently determined using a variety of functionalized UiO-66-X hosts. These investigations uncovered the beneficial effects of the ammonium functional group (i.e., UiO-66-NH 3 + ). Mechanistic experiments revealed that the ammonium functionality improved efficiency in the hydrogenation of carbon dioxide to formic acid, the first step in the cascade. Isotope effects and structure–activity relationships suggested that the primary role of the ammonium functionality is to serve as a general Brønsted acid. Importantly, the cooperative influence from the host was effective only with the functional group in close proximity to the encapsulated catalyst. Here, reactions carried out in the presence of molecular sieves to remove water highlighted the beneficial effects of the ammonium functional group in UiO-66-NH 3 + and resulted in a 4-fold increase in activity. As a result of the modular nature of the catalyst system, the highest reported turnover number (TON) (19 000) and turnover frequency (TOF) (9100 h –1 ) for the hydrogenation of carbon dioxide to methanol are obtained. Moreover, the reaction was readily recyclable, leading to a cumulative TON of 100 000 after 10 reaction cycles.

08 HYDROGEN↗

NASA NTRS1989

Nuclear collective flow and charged-pion emission in Ne-nucleus collisions at E/A = 800 MeV

Triple-differential cross sections of charged pions were measured for collisions of Ne projectiles at E/A = 800 MeV with NaF, Nb, and Pb targets. The reaction plane was estimated event by event from the light-baryon momentum distribution. For heavy targets, preferential emission of charged pions away from the interaction zone toward the projectile side was observed in the transverse direction. Such a preferential emission, which is not predicted by cascade calculations, may be attributed to a stronger pion absorption by the heavier spectator remnant.

Gosset, J.↗

NASA NTRS1989

Nuclear collective flow and charged-pion emission in Ne-nucleus collisions at E/A = 800 MeV

Triple-differential cross sections of charged pions were measured for collisions of Ne projectiles at E/A = 800 MeV with NaF, Nb, and Pb targets. The reaction plane was estimated event by event from the light-baryon momentum distribution. For heavy targets, preferential emission of charged pions away from the interaction zone towards the projectile side was observed in the transverse direction. Such a preferential emission, which is not predicted by cascade calculations, may be attributed to a stronger pion absorption by the heavier spectator remnant.

NASA Discipline Number 04-10↗

NASA NTRS1987

Exclusive measurements of mean pion multiplicities in 4He-nucleus reactions from 200 to 800 MeV/nucleon

Mean multiplicities of pi+ and pi- in 4He collisions with C, Cu, and Pb at 200, 600, and 800 MeV/u, and with C and Pb at 400 MeV/u have been measured using the large solid angle detector Diogene. The independence of pion multiplicity on projectile incident energy, target mass and proton multiplicity is studied in comparison with intra-nuclear cascade predictions. The discrepancy between experimental results and theory is pointed out and discussed.

NASA Discipline Radiation Health↗

DOE OSTI2025

A new way to unravel the $^{12}$C($\alpha $,$\gamma $)$^{16}$O cross section components using neural networks

The $^{12}$C($\alpha $,$\gamma $)$^{16}$O reaction rate is crucial in determining the carbon-to-oxygen abundance ratio in stellar nucleosynthesis. Measuring this reaction’s cross section at stellar energies is challenging due to its extremely small value, approximately 10 -17 barn at E c.m. = 300 keV. To address this, R-matrix calculations are employed to extrapolate data to lower energies, requiring a comprehensive understanding of each contribution to the cross section. The dominant contributions to the cross section at stellar energies arise from electric dipole (E1) and electric quadrupole (E2) transitions to the ground state of 16 O, along with a significant cascade contribution. Traditionally, these contributions have been separated using the γ-ray angular distribution. In this work, we propose a novel technique using the energy distribution of the 16 O recoils at the focal plane. This method involves a neural network trained on detailed Monte Carlo simulations of the energy distribution of recoils transported through the recoil mass separator ERNA. This approach enables the simultaneous determination of all three contributions with errors around 10% in the energy range E c.m. = 1.0–2.2 MeV. In conclusion, by employing this new technique, we aim to significantly improve the accuracy of determining the cross section of the $^{12}$C($\alpha $,$\gamma $)$^{16}$O reaction at astrophysical energies.

Astrochemistry↗

NASA NTRS1979

Energy efficient engine: High pressure turbine uncooled rig technology report

Results obtained from testing five performance builds (three vane cascades and two rotating rigs of the Energy Efficient Engine uncooled rig have established the uncooled aerodynamic efficiency of the high-pressure turbine at 91.1 percent. This efficiency level was attained by increasing the rim speed and annulus area (AN(2)), and by increasing the turbine reaction level. The increase in AN(2) resulted in a performance improvement of 1.15 percent. At the design point pressure ratio, the increased reaction level rig demonstrated an efficiency of 91.1 percent. The results of this program have verified the aerodynamic design assumptions established for the Energy Efficient Engine high-pressure turbine component.

Gardner, W. B.↗

NASA NTRS2003

Evaluation of Production Cross Sections of Li, Be, B in CR

Accurate evaluation of the production cross section of light elements is important for models of cosmic ray (CR) propagation, galactic chemical evolution, and cosmological studies. However, the experimental spallation cross section data are scarce and often unavailable to CR community while semi-empirical systematics are frequently wrong by a significant factor. Running sophisticated nuclear codes is not an option of choice for everyone either. We use the Los Alamos versions of the Quark-Gluon String Model code LAQGSM and the improved Cascade-Exciton Model code CEM2k together with all available data from Los Alamos Nuclear Laboratory (LANL) nuclear database to produce evaluated production cross sections of isotopes of Li, Be, and B suitable for astrophysical applications. The LAQGSM and CEM2k models have been shown to reproduce well nuclear reactions and hadronic data in the range 0.01-800 GeV/nucleon.

Moskalenko, I. V.↗

DOE OSTI2022

Non-Idealities in Lab-Scale Kinetic Testing: A Theoretical Study of a Modular Temkin Reactor

The Temkin reactor can be applied for industrial relevant catalyst testing with unmodified catalyst particles. It was assumed in the literature that this reactor behaves as a cascade of continuously stirred tank reactors (CSTR). However, this assumption was based only on outlet gas composition or inert residence time distribution measurements. The present work theoretically investigates the catalytic CO2 methanation as a test case on different catalyst geometries, a sphere, and a ring, inside a single Temkin reaction chamber under isothermal conditions. Axial gas-phase species profiles from detailed computational fluid dynamics (CFD) are compared with a CSTR and 1D plug-flow reactor (PFR) model using a sophisticated microkinetic model. In addition, a 1D chemical reactor network (CRN) model was developed, and model parameters were adjusted based on the CFD simulations. Whereas the ideal reactor models overpredict the axial product concentrations, the CRN model results agree well with the CFD simulations, especially under low to medium flow rates. This study shows that complex flow patterns greatly influence species fields inside the Temkin reactor. Although residence time measurements suggest CSTR-like behavior, the reactive flow cannot be described by either a CSTR or PFR model but with the developed CRN model.

Wehinger, Gregor D. (ORCID:0000000217743391)↗

DOE OSTI2021

Potential neutron-induced γ-ray background on natural tellurium relevant to 130 Te 0 ν ββ decay searches at the CUORE and SNO+ detectors

Gamma-ray production cross-section data have been obtained for the inelastic neutron scattering reactions 126,128,130 Te(n,n'γ) at five neutron energies between 3.6 and 10 MeV. We report data for the γ-ray energy region relevant to 0ν ββ decay of 130 Te with a Q ββ value of 2527.515 keV, assuming natural-abundance tellurium, as used at CUORE and SNO+. The natural abundance of 130 Te, 128 Te, and 126 Te is 34%, 32%, and 19%, respectively. For CUORE the γ-ray cascades from the excited state in 130 Te at 2527.06 keV and in 126 Te at 2533.85 keV are of concern. For SNO+, accounting for its inferior energy resolution, an additional four levels are important in 130 Te, an additional nine levels in 128 Te, and an additional eight levels in 126 Te. Of these, we report neutron-induced γ-ray production cross sections for the strongest transitions: the 2581.15 keV level in 130 Te, the 2494.20, 2508.06, and 2630.14 keV levels in 128 Te, and the 2496.83 and 2585.46 keV level in 126 Te. Here, the largest cross-section values were found for cascade γ-ray transitions to the ground state, while direct transitions to the ground state are very weak and were not observed in the present work. Both the CUORE and SNO+ detectors, however, may not be able to distinguish between cascade transitions and direct transitions to the ground state, making the neutron-induced excitation of the 2527.06 keV state of 130 Te in particular a potential problem for 0νββ decay searches of 130Te, because it matches its Q ββ value.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Non-thermal plasma-assisted steam methane reforming for electrically-driven hydrogen production

Plasma-assisted steam methane reforming (SMR) has become a promising approach for low temperature and small-scale hydrogen production. To increase H 2 yields, water-gas-shift reactions are needed to drive the formed CO to CO 2 and H 2 . In this study, bulk gas temperature, plasma power and water feed rate strongly impacted the CO and CO 2 product selectivity at high methane conversions of 60–80% in the presence of a Ni-based catalyst. CO 2 -enriched hydrogen could be formed directly with H 2 O/methane ratios > 4. To further increase the CO 2 /CO product selectivity, a “one-pot” cascade design with a Cu/ZnO/Al 2 O 3 /MgO catalyst bed placed downstream of the plasma zone achieved substantially higher CO 2 /CO selectivity (>15) in the effluent gas at 60% methane conversion and 300°C. Comparably, placing the Cu-based catalyst in the plasma zone does not alter the CO 2 /CO selectivity. Further, this study highlights the use of plasma reactor systems to directly tune the catalytic SMR performance and lead to an electrified route for hydrogen production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2010

LES/RANS Simulation of a Supersonic Reacting Wall Jet

This work presents results from large-eddy / Reynolds-averaged Navier-Stokes (LES/RANS) simulations of the well-known Burrows-Kurkov supersonic reacting wall-jet experiment. Generally good agreement with experimental mole fraction, stagnation temperature, and Pitot pressure profiles is obtained for non-reactive mixing of the hydrogen jet with a non-vitiated air stream. A lifted flame, stabilized between 10 and 22 cm downstream of the hydrogen jet, is formed for hydrogen injected into a vitiated air stream. Flame stabilization occurs closer to the hydrogen injection location when a three-dimensional combustor geometry (with boundary layer development resolved on all walls) is considered. Volumetric expansion of the reactive shear layer is accompanied by the formation of large eddies which interact strongly with the reaction zone. Time averaged predictions of the reaction zone structure show an under-prediction of the peak water concentration and stagnation temperature, relative to experimental data and to results from a Reynolds-averaged Navier-Stokes calculation. If the experimental data can be considered as being accurate, this result indicates that the present LES/RANS method does not correctly capture the cascade of turbulence scales that should be resolvable on the present mesh. Instead, energy is concentrated in the very largest scales, which provide an over-mixing effect that excessively cools and strains the flame. Predictions improve with the use of a low-dissipation version of the baseline piecewise parabolic advection scheme, which captures the formation of smaller-scale structures superimposed on larger structures of the order of the shear-layer width.

Edwards, Jack R.↗

DOE OSTI2024

Cascade CO 2 Insertion in Carbanion Ionic Liquids Driven by Structure Rearrangement

The CO 2 chemisorption in state-of-the-art sorbents based on oxide/hydroxide/amine moieties is driven by strong chemical bonding formation in the carbonate/bicarbonate/carbamate products, which in turn leads to high energy input in sorbent regeneration. In addition, the CO 2 uptake capacity was limited by the active sites’ utilization efficiency, with each active site incorporating one CO 2 molecule or less. In this work, a new concept and generation of sorbent was developed to achieve cascade insertion of multiple CO 2 molecules by leveraging structure rearrangement as the driving force, leading to in situ generation of extra CO 2 -binding sites and significantly reduced energy input for CO 2 release. The designed ionic liquids (ILs) containing carbanions with conjugated and asymmetric structure, deprotonated (methylsulfonyl)acetonitrile ([MSA]) anion, allowed the cascade insertion of two CO 2 molecules via consecutive C–C and O–C bond formations. The proton transfer and structure rearrangement of the carboxylic acid intermediates played critical roles in stabilizing the first integrated CO 2 and generating extra electron-rich oxygen sites for the insertion of the second CO 2 . The structure variation and reaction pathway were confirmed by operando spectroscopy, magnetic resonance spectroscopy (NMR), mass spectroscopy, and computational chemistry. The energy input in sorbent regeneration could be further reduced by harnessing the phase-changing behavior of the carbanion salts in ether solutions upon reacting with CO 2 , avoiding the energy consumption in heating the solvent. In conclusion, the fundamental insights obtained herein provide a promising approach to greatly improve the CO 2 sorption performance via sophisticated molecular-scale structural engineering of the sorbents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1997

AXAF Detector Backgrounds Produced By Cosmic Ray Protons

One of the science instruments on the Advanced X-ray Astrophysics Facility (AXAF), planned for launch in 1998 into a highly elliptical (10,000 km x 140,000 km) orbit, is a microchannel plate High Resolution Camera (HRC). This detector is designed to provide imaging and spectroscopic observations of x-rays emitted by stellar sources in the 0.1 to 10 keV energy range. Described here are analyses made to determine the expected time-dependent detector background from prompt and delayed (activation) radiation initiated by galactic cosmic-ray (GCR) proton interactions in the spacecraft and payload. Numerical simulations were made using the coupled set of Monte Carlo radiation transport codes, analysis software, and data bases shown. The major codes are HETC for nucleon-meson transport, EGS for simulating electromagnetic cascades, and MORSE for low-energy (less than 15 MeV) neutron transport. The simulation follows the transport history of photons in the energy range from - 100 GeV down to approx. 0.1 keV due to gamma-ray sources from neutral pion decay, high-energy (spallation) collisions, and low-energy neutron inelastic scattering and capture reactions. Also included is radioisotope production and the tracking of gamma-rays, electrons, and positrons from induced radioactivity.

Armstrong, T. W.↗