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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Microkinetic insights into the role of catalyst and water activity on the nucleation, growth, and dissolution during COF-5 synthesis

The chemical pathway for synthesizing covalent organic frameworks (COFs) involves a complex medley of reaction sequences over a rippling energy landscape that cannot be adequately described using existing theories. Even with the development of state-of-the-art experimental and computational tools, identifying primary mechanisms of nucleation and growth of COFs remains elusive. Other than empirically, little is known about how the catalyst composition and water activity affect the kinetics of the reaction pathway. In this work, for the first time, we employ time-resolved in situ Fourier transform infrared spectroscopy (FT-IR) coupled with a six-parameter microkinetic model consisting of ~10 million reactions and over 20 000 species. The integrated approach elucidates previously unrecognized roles of catalyst pK a on COF yield and water on growth rate and size distribution. COF crystalline yield increases with decreasing pK a of the catalysts, whereas the effect of water is to reduce the growth rate of COF and broaden the size distribution. The microkinetic model reproduces the experimental data and quantitatively predicts the role of synthesis conditions such as temperature, catalyst, and precursor concentration on the nucleation and growth rates. Furthermore, the model also validates the second-order reaction mechanism of COF-5 and predicts the activation barriers for classical and non-classical growth of COF-5 crystals. The microkinetic model developed here is generalizable to different COFs and other multicomponent systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Extratropical Weather Systems on Mars: Radiatively-Active Water Ice Effects

Extratropical, large-scale weather disturbances, namely transient, synoptic-period,baroclinic barotropic eddies - or - low- (high-) pressure cyclones (anticyclones), are components fundamental to global circulation patterns for rapidly rotating, differentially heated, shallow atmospheres such as Earth and Mars. Such "wave-like" disturbances that arise via (geophysical) fluid shear instability develop, mature and decay, and travel west-to-east in the middle and high latitudes within terrestrial-like planetary atmospheres. These disturbances serve as critical agents in the transport of heat and momentum between low and high latitudes of the planet. Moreover, they transport trace species within the atmosphere (e.g., water vapor/ice, other aerosols (dust), chemical species, etc). Between early autumn through early spring, middle and high latitudes on Mars exhibit strong equator-to-pole mean temperature contrasts (i.e., "baroclinicity"). Data collected during the Viking era and observations from both the Mars Global Surveyor (MGS) and Mars Reconnaissance Orbiter (MRO) indicate that such strong baroclinicity supports vigorous, large-scale eastward traveling weather systems [Banfield et al., 2004; Barnes et al., 1993]. A good example of traveling weather systems, frontal wave activity and sequestered dust activity from MGS/MOC image analyses is provided in Figure 1 (cf. Wang et al. [2005]). Utilizing an upgraded and evolving version of the NASA Ames Research Center (ARC) Mars global climate model, investigated here are key dynamical and physical aspects of simulated northern hemisphere (NH) large-scale extratropica lweather systems,with and without radiatively-active water ice clouds. Mars Climate Model:

cyclones↗
NASA NTRS2023

Plasma Activated Water: A Technology for Acid Generation and Space Crop Production

As humanity returns to the moon and onward to Mars, sustainable space travel becomes essential for cost and independence from Earth. Astronaut activities in low Earth orbit resupply consumable materials and can require alternative technologies if transportation of chemicals is deemed hazardous. Plasma technology and applications are able to generate commodities that assist in achieving Earth independence. Plasma interaction with water generates acid in-situ using on-board resources of electricity and breathable air without the need for large infrastructure. At Kennedy Space Center, researchers have shown that plasma is able to produce nitric acid, and therefore nitrates, in a plant-usable form in water. In this report, the team presents results on acid generation in g/kW-hr as well as provides results on plasma activated water for plant growth assistance. Plasma was generated utilizing DC, AC, and pulsed power supplies in order to determine optimizing parameters for generation of this useful commodity.

Plasma↗
NASA NTRSDate not supplied

Plasma Activated Water: A Technology for Acid Generation and Space Crop Production

As humanity returns to the moon and onward to Mars, sustainable space travel becomes essential for cost and independence from Earth. Astronaut activities in low Earth orbit resupply consumable materials and can require alternative technologies if transportation of chemicals is deemed hazardous. Plasma technology and applications are able to generate commodities that assist in achieving Earth independence. Plasma interaction with water generates acid in-situ using on-board resources of electricity and breathable air without the need for large infrastructure. At Kennedy Space Center, researchers have shown that plasma is able to produce nitric acid, and therefore nitrates, in a plant-usable form in water. In this report, the team presents results on acid generation in g/kW-hr as well as provides results on plasma activated water for plant growth assistance. Plasma was generated utilizing DC, AC, and pulsed power supplies in order to determine optimizing parameters for generation of this useful commodity.

Plasma↗
DOE OSTI2024

Direct propylene epoxidation via water activation over Pd-Pt electrocatalysts

Direct electrochemical propylene epoxidation by means of water-oxidation intermediates presents a sustainable alternative to existing routes that involve hazardous chlorine or peroxide reagents. Here, we report an oxidized palladium-platinum alloy catalyst (PdPtO x /C), which reaches a Faradaic efficiency of 66 ± 5% toward propylene epoxidation at 50 milliamperes per square centimeter at ambient temperature and pressure. Embedding platinum into the palladium oxide crystal structure stabilized oxidized platinum species, resulting in improved catalyst performance. The reaction kinetics suggest that epoxidation on PdPtO x /C proceeds through electrophilic attack by metal-bound peroxo intermediates. This work demonstrates an effective strategy for selective electrochemical oxygen-atom transfer from water, without mediators, for diverse oxygenation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Low temperature and limited water activity reveal a pathway to magnesite via amorphous magnesium carbonate

Forsterite carbonated in thin H 2 O films to magnesite via amorphous magnesium carbonate during reaction with H 2 O-bearing liquid CO 2 at 25 °C. This novel reaction pathway contrasts with previous studies that were carried out at higher H 2 O activity and temperature, where more highly hydrated nesquehonite was the metastable intermediate.

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

Performance Evaluation of a High Salinity Produced Water Treatment Train: Chemical Analysis and Aryl Hydrocarbon Activation

Water scarcity and increased energy demands have put a strong focus on improving industries at the heart of the water–energy nexus. Treatment of oil and gas produced water (PW) can help reduce freshwater consumption during hydraulic fracturing, especially in arid regions, while also removing harmful contaminants from entering the environment. However, it is also difficult to treat because PW contains high concentrations of many environmentally toxic contaminants, which require complex and expensive treatment processes to achieve their removal. To demonstrate the possibility of PW treatment and reuse in the O&G industry, a comprehensive environmental toxicity and water quality analysis throughout a five-process treatment train was performed on high salinity (>120 g/L) Permian basin raw PW. Here, the concentrations of naturally occurring radioactive materials were reduced by over 99%, total organic carbon was reduced by 93%, and inorganic constituents, including total dissolved solids, were reduced by over 99%. Compounds that induced the aryl hydrocarbon receptor and caused cytotoxicity in MCF-7 cells were also removed. Overall, the results of this study show that a short treatment train (five distinct unit processes) can be effective in treating PW to a level suitable for use outside of the oil industry.

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

Thermal Regulation of CO 2 Activation Pathways via Interfacial Water Restructuring Enables Ampere-Level, Near-Unity CO Electrosynthesis

Electrochemical reduction of CO 2 to CO is a key step in carbon utilization technologies, yet maintaining high CO selectivity under elevated temperatures relevant to industrial membrane-electrode-assembly (MEA) electrolyzers remains challenging due to the competing hydrogen evolution reaction (HER). Additionally, the temperature dependence of CO selectivity on Cu-based catalysts has remained largely unexplored. Here, we demonstrate that incorporating atomic In or Sn into Cu fundamentally reshapes the selectivity of Cu catalysts at elevated temperatures. Dilute alloy catalysts, In 1 Cu and Sn 1 Cu, achieve >95% FE of CO over a broad current-density window (0.1−1.1 A cm −2 ) at 60 °C in MEA electrolyzers, far exceeding their performance at ambient temperature. In situ attenuated total reflection surface-enhanced infrared absorption spectroscopy suggests that elevating temperature depletes interfacial water activity, which favors a shift in CO 2 activation from a proton-coupled *COOH pathway toward an electron-driven *COO − -associated pathway, while also suppressing HER and CO hydrogenation. In contrast, benchmark CO-selective catalysts such as Ag exhibit minimal temperature-induced changes in CO production at 20−60 °C. These findings identify temperature as an unavoidable yet previously underutilized operating parameter in MEA electrolyzers for high-rate, selective CO production on Cubased catalysts.

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