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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 73 records · Page 4

Coherent Neutrino-Nucleus Scattering: A Tool to Search for New Physics

The Neutrino is a well-understood particle in the models of particle physics. Even so, it is electrically neutral, and has a very small mass. As such, it’s interaction probability is extremely small. Detecting neutrinos has always been a challenge for particle physics. Over 40 years ago, Daniel Freedman predicted a new type of interaction that neutrinos could undergo that would be much more frequent. This has since been called Coherent Elastic Neutrino Nucleus Scattering (CEvNS). While this process occurred more frequently than the traditionally used interaction process (called inverse beta decay) it was more challenging to detect. Interestingly, though, if you could detect the CEvNS process, you would be sensitive to many new studies of fundamental particle physics. A researcher may also be able to use this process to study neutrinos in more applied settings, for instance by more easily monitoring the neutrinos given off during the nuclear reaction processes in nuclear reactors. The aim of this project was to observe coherent neutrino scattering for the first time, and begin to use it as a tool both to study new types of physics models, and to study the feasibility of this concept for applied situations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Pure Water From a Pure Genius

Ammonium perchlorate is widely used throughout the aerospace, munitions, and pyrotechnics industries as a primary ingredient in solid rocket and missile propellants, fireworks, and explosive charges. This highly soluble salt has tainted soils and water sources all over the world, and is believed to be an endocrine disrupter, adversely affecting the growth patterns of a fetus or a young child. UMPQUA Research Company (URC), once a small drinking water testing laboratory and a research and development contractor for NASA's manned spaceflight applications, has evolved to become a leader in water purification and analysis. With a total of 11 patents issued for new technologies created by URC under NASA SBIR contracts and a 25-year commitment to water recycling, the company clearly possessed the qualifications necessary to tackle the presence of perchlorate in water. An SBIR contract with NASA's Marshall Space Flight Center that concentrated on the stringent water quality requirements of long-term, manned spaceflight was the source for URC's process and catalyst to facilitate the destruction of perchlorate and nitrate in water. URC licensed the rights of its unique reduction reaction process to Calgon Carbon Corporation for use with the company's perchlorate/nitrate remediation process, otherwise known as ISEP(R).

Source record↗

Field-Scale Testing of a High-Efficiency Membrane Reactor (MR)—Adsorptive Reactor (AR) Process for H2 Generation and Pre-Combustion CO2 Capture

The study objective was to field-validate the technical feasibility of a membrane- and adsorption-enhanced water gas shift reaction process employing a carbon molecular sieve membrane (CMSM)-based membrane reactor (MR) followed by an adsorptive reactor (AR) for pre-combustion CO2 capture. The project was carried out in two different phases. In Phase I, the field-scale experimental MR-AR system was designed and constructed, the membranes, and adsorbents were prepared, and the unit was tested with simulated syngas to validate functionality. In Phase II, the unit was installed at the test site, field-tested using real syngas, and a technoeconomic analysis (TEA) of the technology was completed. All project milestones were met. Specifically, (i) high-performance CMSMs were prepared meeting the target H2 permeance (>1 m3/(m2.hbar) and H2/CO selectivity of >80 at temperatures of up to 300 °C and pressures of up to 25 bar with a <10% performance decline over the testing period; (ii) pelletized adsorbents were prepared for use in relevant conditions (250 °C < T < 450 °C, pressures up to 25 bar) with a working capacity of >2.5 wt.% and an attrition rate of <0.2; (iii) TEA showed that the MR-AR technology met the CO2 capture goals of 95% CO2 purity at a cost of electricity (COE) 30% less than baseline approaches.

42 ENGINEERING↗

Production of Biomass–Derived p –Hydroxybenzamide: Synthesis of p –Aminophenol and Paracetamol

As we work to transition the modern society that is based on non-renewable chemical feedstocks to a post-modern society built around renewable sources of energy, fuels, and chemicals, there is a need to identify the renewable resources and processes for converting them to platform chemicals. Herein, we explore a strategy for utilizing the p-hydroxybenzoate in biomass feedstocks (e.g., poplar and palm trees) and converting it into a portfolio of commodity chemicals. The targeted bio-derived product in the first processing stage is p-hydroxybenzamide produced from p-hydroxybenzoate esters found in the plant. In the second stage a continuous reaction process converts the p-hydroxybenzamide to p-aminophenol via the Hofmann rearrangement and recovers the unreacted p-hydroxybenzamide. In the third stage the p-aminophenol can be acetylated to form paracetamol, which is readily isolated by liquid/liquid extraction at >95 % purity and an overall p-hydroxybenzamide-to-paracetamol process yield of ~90 %. We explore how utilization of protecting groups alters the challenges in this process and expands the portfolio of possible products to include p-(methoxymethoxy)aniline and N-acetyl-p-(methoxymethoxy)aniline. These target compounds could become value-added renewably-sourced platform chemicals that could be used to produce biodegradable plastics, pigments, and pharmaceuticals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bed form-induced hyporheic exchange and geochemical hotspots

Small-scale bed form topographies control hyporheic exchange and biogeochemical processes within aquatic sediments, which ultimately affect water quality and nutrient cycling at the watershed scale. The impact of three-dimensional and small-scale bed form topographies on hyporheic exchange and solute mixing is investigated in the present work. The effect of bed form morphologies on the development of zones of enhanced reaction rates (i.e., hotspots) is also studied. A computational fluid dynamics model to simulate river flow over bed forms is combined with a subsurface flow and multicomponent reactive solute transport model. A wide variety of bed form topographies are generated using geometric models by varying parameters controlling curvature as well as bed form wavelength and amplitude. The results in this research suggest that out-of-phase bed forms generate more complex hyporheic flow patterns which reduce the efficiency of solute transformations. Higher phase shifts in bed form shapes result in overall higher average velocity, larger zones of enhanced pressure and reaction rates, and higher amounts of solute exchange. Moreover, the bed form shapes control the reaction process for a wide range of sediment conductivities. Here this study advances the understanding of the effects of complex and small scale morphological features on hyporheic exchange processes including the rate and spatio-temporal distribution of reaction hotspots.

54 ENVIRONMENTAL SCIENCES↗

Developing a low-cost renewable supply of hydrogen with high-temperature electrochemistry

Abstract Producing inexpensive hydrogen using electricity to split water or to extract hydrogen from hydrocarbon compounds is a two-sided coin: one side is obtaining and exploiting low-cost, emissions-free energy sources while the opposite side is establishing low-cost robust, durable, and efficient materials for the conversion processes. This article explores the materials needed for water splitting electrolysis, electrochemical abstraction of hydrogen from light alkanes, and looping thermal-chemical reaction processes that typically form and then dissociate an acid compound in a two- or three-step process. The focus is on the R&D needs of materials that are used for high-temperature electrochemistry, focusing on solid-oxide, ion-conducting cell materials sets (SOECs). To exploit the availability of low-cost electricity, these materials must stand up to cyclic operations. They also must be durable for years of service to reduce operating and maintenance costs, and they must achieve high conversion efficiencies to avoid large, energy-intensive recycle loops. Graphical abstract

Boardman, Richard D.↗

A numerical study of mixing enhancement in supersonic reacting flow fields

NASA Langley has intensively investigated the components of ramjet and scramjet systems for endoatmospheric, airbreathing hypersonic propulsion; attention is presently given to the optimization of scramjet combustor fuel-air mixing and reaction characteristics. A supersonic, spatially developing and reacting mixing layer has been found to serve as an excellent physical model for the mixing and reaction process. Attention is presently given to techniques that have been applied to the enhancement of the mixing processes and the overall combustion efficiency of the mixing layer. A fuel injector configuration has been computationally designed which significantly increases mixing and reaction rates.

Drummond, J. Philip↗

Soot Reaction Properties (Ground-Based Study)

Three major soot reaction processes are needed to predict soot properties in flame environments: soot growth, or the formation of soot on soot nuclei and soot particles; soot oxidation, or the reaction of soot with oxidizing species to yield the combustion products of soot oxidation; and soot nucleation, or the formation of soot nuclei from soot precursors having large molecular weights (generally thought to be large and particularly stable PAH molecules in flame environments, called stabilomers). These processes are addressed in the following, considering soot growth, oxidation and nucleation, in turn, by exploiting the soot and flame structure results for premixed and diffusion flames already discussed in Section 2.

Dai, Z.↗

In situ propellant production: Alternatives for Mars exploration

Current planning for the Space Exploration Initiative (SEI) recognizes the need for extraterrestrial resources to sustain long-term human presence and to attain some degree of self-sufficiency. As a practical matter, reducing the need to carry large supplies of propellant from Earth will make space exploration more economical. For nearly every round trip planned with conventional propulsion, the actual payload is only a small fraction - perhaps 10-15 percent - of the mass launched from Earth. The objective of this study was to analyze the potential application for SEI missions of propellants made exclusively from lunar or martian resources. Using such propellants could minimize or eliminate the cost of carrying propellant for surface excursion vehicles and return transfers through two high-energy maneuvers: Earth launch and trans-Mars injection. Certain chemical mono- and bipropellants are candidates for this approach; they could be recovered entirely from in situ resources on the Moon and Mars, without requiring a continuing Earth-based resupply of propellant constituents (e.g., fuel to mix with a locally obtained oxidizer) and, perhaps, with minimal need to resupply consumables (e.g., reagents or catalyst for process reactions). A complete assessment of the performance potential of these propellants must include the requirements for installation, operations, maintenance, and resupply of the chemical processing facility.

Stancati, Michael L.↗

Bench-Scale Testing of a High Efficiency, Ultra-Compact Process for Pre-Combustion CO 2 Capture (Final Report)

The overarching objective of this bench-scale study is to field-validate the technical feasibility of a membrane- and adsorption-enhanced water gas shift (WGS) reaction process that employs a carbon molecular sieve (CMS) membrane reactor (MR) followed by an adsorption reactor (AR) for pre-combustion CO 2 capture while demonstrating progress towards achievement of the overall performance goals of CO 2 capture with 95% CO 2 purity at a cost of electricity (COE) of 30% less than the baseline capture approaches. The main goal of this bench-scale project is to advance the proposed MR-AR transformative CO 2 capture technology to a sufficient maturity level so that our present industrial partners (M&PT and Worley) can potentially adapt the technology for further small pilot-scale testing. The project began at TRL 4, as the system prototype had already been validated in the laboratory on simulated syngas (as part of project DE-FE0026423). The project ended at TRL 5, via scaling-up of the prototype system and testing it on actual syngas at a host site (CAER at the University of Kentucky (UKy)). The project was carried-out in two different phases: In Phase I (during BP1 of the project), the team designed, constructed, and assembled the bench-scale experimental MR-AR system, prepared the membranes, adsorbents, and catalysts, tested the bench-scale unit with simulated syngas to validate functionality, and prepared a preliminary TEA of the technology. In Phase II (during BP2 of the project), the team installed the unit at the test site at the UKy site and completed all utility connections and hookups, field-tested the novel MR-AR process in the bench-scale system using real syngas, collected and analyzed experimental data, and completed a detailed TEA of the technology. A key aim of the project was to identify and address the technical and process risks and to generate information to advance the technology to the next stage of development. All project milestones and success criteria were met. Specifically, the team: (i) designed, constructed and assembled a bench scale system that handled 1 – 5 scfm syngas and tested its functionality with simulated syngas; (ii) prepared high performance CMS membrane tubes (ID: 3.5 mm, OD: 5.7 mm, 30” long) that meet the target H 2 permeance ( > 1 m 3 /(m 2 .hr.bar) or (> 370.3 GPU)) and a target H 2 /CO selectivity >80 at the relevant temperature (up to 300oC) and pressure conditions (up to 25 bar) with a <10% decline in performance over each 250 hr. testing period (iii) procured commercial sour-shift catalyst in sufficient quantity and prepared up to 10 kg of pelletized adsorbent for use at relevant conditions (250oC 2.5wt.% and target sorbent attrition rate < 0.2; (iv) installed the bench-scale unit at the test site (UKy) and tested the MR-AR technology using real syngas for over 250 hr. for both static and flow experiments; (v) updated the TEA analysis based on bench-scale data and met CO 2 capture goals of 95% CO 2 purity at a cost of electricity 30% less than baseline capture approaches. The CMS membranes, HTC adsorbents and catalysts employed all exhibited very robust and stable performance during the long-term run (over a >250 hr live syngas run). Furthermore, the proposed MR-AR IGCC system achieved a LCOE with a N 2 sale price of $\$$ 30/ton, with N 2 compression (no N 2 compression) of 101.2 $\$$/MWh (95.3 $\$$/MWh), which represents a 29.8% (33.9%) LCOE reduction in the baseline IGCC with carbon capture of 144.2 $\$$/MWh. The proposed MR-AR IGCC delivers a CO 2 capture cost of 44.8 $\$$/tonne (39.9 $\$$/tonne) vs 98.1 $\$$/tonne of the baseline capture case and a net power production of 586 MWe (623 MWe) vs 556 MWe of the baseline capture case.

01 COAL, LIGNITE, AND PEAT↗

Cross sections for neutron-induced reactions from surrogate data: Reexamining the Weisskopf-Ewing approximation for ( n , n ' ) and ( n , 2 n ) reactions

Background: Modeling nuclear reaction networks for nuclear science applications and for simulations of astrophysical environments relies on cross section data for a vast number of reactions, many of which have never been measured. Cross sections for neutron-induced reactions on unstable nuclei are particularly scarce, since they are the most difficult to measure. Consequently, we must rely on theoretical predictions or indirect measurements to obtain the requisite reaction data. For compound nuclear reactions, the surrogate reaction method can be used to determine many cross sections of interest. Purpose: Earlier work has demonstrated that cross sections for neutron-induced fission and radiative neutron capture can be determined from a combination of surrogate reaction data and theory. For the fission case, it was shown that the Weisskopf-Ewing approximation, which significantly simplifies the implementation of the surrogate method, can be employed. Capture cross sections cannot be obtained, and require a detailed description of the surrogate reaction process. Here, we examine the validity of the Weisskopf-Ewing approximation for determining unknown (n, n') and (n, 2n) cross sections from surrogate data. Methods: Using statistical reaction calculations with realistic parametrizations, we investigate first whether the assumptions underlying the Weisskopf-Ewing approximation are valid for (n, n') and (n, 2n) reactions on representative target nuclei. We then produce simulated surrogate reaction data and assess the impact of applying the Weisskopf-Ewing approximation when extracting (n, n') and (n, 2n) cross sections in situations where the approximation is not strictly justified. Results: We find that peak cross sections can be estimated using the Weisskopf-Ewing approximation, but the shape of the (n, n') and (n, 2n) cross sections, especially for low neutron energies, cannot be reliably determined without accounting for the angular-momentum differences between the neutron-induced and surrogate reaction. Conclusions: To obtain reliable (n, n') and (n, 2n) cross sections from surrogate reaction data, a detailed description of the surrogate reaction mechanisms is required. To do so for the compound-nucleus energies and decay channels relevant to these reactions, it becomes necessary to extend current modeling capabilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Numerical Simulations of High-Speed Chemically Reacting Flow

The Essentially NonOscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗

Numerical Simulations of High-Speed Chemically Reacting Flow

The essentially nonoscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗

The quantum dynamics of electronically nonadiabatic chemical reactions

Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally adiabatic functions in various quantum scattering algorithms.

Truhlar, Donald G.↗

The DREAM Endstation at the Linac Coherent Light Source

Free-electron lasers (FEL), with their ultrashort pulses, ultrahigh intensities, and high repetition rates at short wavelength, have provided new approaches to Atomic and Molecular Optical Science. One such approach is following the birth of a photo electron to observe ion dynamics on an ultrafast timescale. Such an approach presents the opportunity to decipher the photon-initiated structural dynamics of an isolated atomic and molecular species. It is a fundamental step towards understanding single- and non-linear multi-photon processes and coherent electron dynamics in atoms and molecules, ultimately leading to coherent control following FEL research breakthroughs in pulse shaping and polarization control. A key aspect for exploring photoinduced quantum phenomena is visualizing the collective motion of electrons and nuclei in a single reaction process, as dynamics in atoms/ions proceed at femtosecond (10 –15 s) timescales while electronic dynamics take place in the attosecond timescale (10 –18 s). Here, we report on the design of a Dynamic Reaction Microscope (DREAM) endstation located at the second interaction point of the Time-Resolved Molecular and Optical (TMO) instrument at the Linac Coherent Light Source (LCLS) capable of following the photon–matter interactions by detecting ions and electrons in coincidence. The DREAM endstation takes advantage of the pulse properties and high repetition rate of LCLS-II to perform gas-phase soft X-ray experiments in a wide spectrum of scientific domains. With its design ability to detect multi-ions and electrons in coincidence while operating in step with the high repetition rate of LCLS-II, the DREAM endstation takes advantage of the inherent momentum conservation of reaction product ions with participating electrons to reconstruct the original X-ray photon–matter interactions. In this report, we outline in detail the design of the DREAM endstation and its functionality, with scientific opportunities enabled by this state-of-the-art instrument.

47 OTHER INSTRUMENTATION↗

Formate-Induced Dissolution and Reprecipitation of a Copper Electrocatalyst during Electrochemical CO 2 Reduction Reaction

Catalyst size, morphology, and crystal structure play crucial roles in determining the activity and selectivity of electrochemical CO 2 reduction reactions, which are known to change during the reaction process. A comprehensive understanding of how, when, and why these parameters evolve under operational conditions is essential for developing stable, efficient, and selective catalysts. In this study, we reveal that formate, one of the reaction products, contributes to the degradation of copper catalysts through a ligand-assisted dissolution mechanism. Utilizing in situ electrochemical atomic force microscopy and ex-situ scanning and transmission electron microscopies, we observed a significant reduction in the size of copper nanoparticles, which decreased from over 30 nm to less than 10 nm in diameter within 60 min of CO 2 RR. The temporal production of formate correlated with the particle size changes. Furthermore, analysis of the electrolyte using inductively coupled plasma optical emission spectroscopy confirmed the dissolution of copper nanoparticles. Control experiments involving various reaction products (H 2 , CO, and HCOO – ) demonstrated that formate significantly promotes copper dissolution, thereby highlighting its role in the ligand-assisted dissolution mechanism of copper electrocatalysts. In conclusion, our findings provide critical insights into copper catalyst behavior during electrochemical CO 2 reduction, facilitating the design of more resilient and effective electrocatalysts.

Catalysts↗

Post-treatment of reclaimed waste water based on an electrochemical advanced oxidation process

The purification of reclaimed water is essential to water reclamation technology life-support systems in lunar/Mars habitats. An electrochemical UV reactor is being developed which generates oxidants, operates at low temperatures, and requires no chemical expendables. The reactor is the basis for an advanced oxidation process in which electrochemically generated ozone and hydrogen peroxide are used in combination with ultraviolet light irradiation to produce hydroxyl radicals. Results from this process are presented which demonstrate concept feasibility for removal of organic impurities and disinfection of water for potable and hygiene reuse. Power, size requirements, Faradaic efficiency, and process reaction kinetics are discussed. At the completion of this development effort the reactor system will be installed in JSC's regenerative water recovery test facility for evaluation to compare this technique with other candidate processes.

Verostko, Charles E.↗

Solvent free low-melt viscosity imide oligomers and thermosetting polymide composites

.[.This invention relates to the composition and a solvent-free process for preparing novel imide oligomers and polymers specifically formulated with effective amounts of a dianhydride such as 2,3,3',4-biphenyltetra carboxylic dianydride (a-BPDA), at least one aromatic diamine and an endcapped of 4-phenylethynylphthalic anhydride (PEPA) or nadic anhydride to produce imide oligomers that possess a low-melt viscosity of 1-60 poise at 260-280.degree. C. When the imide oligomer melt is cured at about 371.degree. C. in a press or autoclave under 100-500 psi, the melt resulted in a thermoset polyimide having a glass transition temperature (T.sub.g) equal to and above 310.degree. C. A novel feature of this process is that the monomers; namely the dianhydrides, diamines and the endcaps, are melt processable to form imide oligomers at temperatures ranging between 232-280.degree. C. (450-535.degree. F.) without any solvent. These low-melt imide oligomers can be easily processed by resin transfer molding (RTM), vacuum-assisted resin transfer molding (VARTM) or the resin infusion process with fiber preforms e.g. carbon, glass or quartz preforms to produce polyimide matrix composites with 288-343.degree. C. (550-650.degree. F.) high temperature performance capability..]. .Iadd.This invention relates to compositions and a solvent-free reaction process for preparing imide oligomers and polymers specifically derived from effective amounts of dianhydrides such as 2,3,3',4'-biphenyltetracarboxylic dianhydride (a-BPDA), at least one aromatic polyamine and an end-cap such as 4-phenylethynyphthalic anhydride (PEPA) or nadic anhydride to produce imide oligomers that possess a low-melt viscosity of 1-60 poise at 260.degree. C.-280.degree. C..Iaddend.

Chuang, Chun-Hua↗