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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Cross Calibration of TOMS, SBUV/2 and Sciamachy Radiances from Ground Observations

Verification of a stratospheric ozone recovery remains a high priority for environmental research and policy definition. Models predict an ozone recovery at a much lower rate than the measured depletion rate observed to date. Therefore improved precision of the satellite and ground ozone observing systems are required over the long term to verify recovery. We have shown that validation of radiances is the most effective means for correcting absolute accuracy and long term drifts of backscatter type satellite measurements. This method by-passes the algorithms used for both satellite and ground based measurements which are normally used to validate and correct the satellite data. Validation of radiances will also improve all higher level data products derived from the satellite observations. Backscatter algorithms suffer from several errors such as unrepresentative a-priori data and air mass factor corrections. Radiance comparisons employ forward models but are inherently more accurate and than inverse (retrieval) algorithms. A new method for satellite validation is planned which will compliment measurements from the existing ground-based networks. This method will employ very accurate comparisons between ground based zenith sky radiances and satellite nadir radiances. These comparisons will rely heavily on the experience derived from the Shuttle SBUV (SSBUV) program which provided a reference standard of radiance measurements for SBUV/2, TOMS, and GOME. This new measurement program, called "Skyrad", employs two well established capabilities at the Goddard Space Flight Center, 1) the SSBUV calibration facilities and 2) the radiative transfer codes used for the TOMS and SBUV/2 algorithms and their subsequent refinements. Radiative transfer calculations show that ground based zenith sky and satellite nadir backscatter ultraviolet comparisons can be made very accurately under certain viewing conditions. The Skyrad instruments (SSBUV, Brewer spectrophotometers, and possibly others) will be calibrated and maintained to a precision of a few tenths of a percent. Skyrad data will then enable long term calibration of upcoming satellite instruments such as QuickTOMS. SBUV/2s and SCIAMACHY with a high degree of precision. This technique can be further employed to monitor the performance of future instruments such as GOME-2, OMI, and OMPS. Initial ground observations taken from Goddard Space Flight Center compared with radiative transfer calculations has indicated the feasibility of this method.

Hillsenrath, Ernest↗
NASA NTRS1999

Trade Study of Five In-Situ Propellant Production Systems for a Mars Sample Return Mission

One of the goals of NASA's HEDS enterprise is to establish a long-term human presence on Mars at a fraction of the cost of employing today's technology. The most direct method of reducing mission cost is to reduce the launch mass of the spacecraft. If the propellants for the return phase of the mission are produced on Mars, the total spacecraft mass could be reduced significantly. An interim goal is a Mars Sample Return (MSR) mission, which is proposed to demonstrate the feasibility of in-situ propellant production (ISPP). Five candidate ISPP systems for producing two fuels and oxygen from the Martian atmosphere are considered in this design trade-off study: 1) Zirconia cell with methanol synthesis, 2) Reverse water gas shift with water electrolysis and methanol synthesis, 3) Sabatier process for methane product ion with water electrolysis, 4) Sabatier process with water electrolysis and partial methane pyrolysis, and 5) Sabatier/RWGS combination with water electrolysis.

Green, S. T.↗
NASA NTRS1999

Trade Study of Five In-Situ Propellant Production System for a Mars Sample Return Mission

One of the goals of NASA''s HEDS enterprise is to establish a long-term human presence on Mars at a fraction of the cost of employing today''s technology. The most direct method of reducing mission cost is to reduce the launch mass of the spacecraft. If the propellants for the return phase of the mission are produced on Mars, the total spacecraft mass could be reduced significantly. An interim goal is a Mars Sample Return (MSR) mission, which is proposed to demonstrate the feasibility of in-situ propellant production (ISPP). Five candidate ISPP systems for producing two fuels and oxygen from the Martian atmosphere are considered in this design trade-off study:(1) Zirconia cell with methanol synthesis, (2) Reverse water gas shift (RWGS) with water electrolysis and methanol synthesis, (3) Sabatier process for methane production with water electrolysis, (4) Sabatier process with water electrolysis and partial methane pyrolysis, and (5) Sabatier/RWGS combination with water electrolysis. These systems have been the subject of numerous previous analytical studies and laboratory demonstrations. In this investigation, the systems are objectively compared on the basis of thermochemical performance models using a commonly used chemical plant analysis software package. The realistic effects of incomplete chemical conversion and gas phase separator performance are included in these models. This study focuses on the chemical processing and product separation subsystems. The CO2 compression upstream of the chemical plane and the liquefaction/storage components are not included here.

Green, S. T.↗
DOE OSTI2023

Realistic application of short-lived fission product delayed neutron, gamma-ray analysis for simultaneous nondestructive trace quantification of U, Pu mixtures on cellulose swipes

Detection and characterization of fissile traces are of interest to the international nuclear nonproliferation community, including the International Atomic Energy Agency. Pre-inspection check samples are analyzed by neutron activation analysis at the High Flux Isotope Reactor operated by the Oak Ridge National Laboratory under the umbrella of the IAEA Network of Analytical Laboratories. The simultaneous quantification of U and Pu mixtures was accomplished using the combined delayed neutron (DN) delayed gamma-ray (DG) method to analyze cellulose swipes with actinide loading <1ng in a blind field trial. The total fissile quantity was measured by the DN counts and the relative proportions of U, Pu were determined by calibration of the 104 Tc / 141 Ba fission product count ratio using known mixtures. The DNDG method demonstrated high accuracy in flagging the presence of 239 Pu in uranium down to <100 pg mass loading. In conclusion, peak significance tests helped to control false positive Pu flagging and simultaneous quantification of U and Pu loading was accomplished on samples that passed the significance tests.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mechanisms of Retention and Transport of Fission Products in Virgin and Irradiated Nuclear Graphite

To fulfill the design and licensing requirements for advanced reactors, the U.S. Department of Energy (DOE) is specifically interested in targeted research to quantify the mechanisms of fission product transport and retention in graphitic grades that will likely be used in next-generation very/high temperature reactors, fluoride salt-cooled high temperature reactors and molten salt reactors. We have examined an integrated experimental-computational approach to determine the diffusivities of selected fission products – ruthenium (Ru) and silver (Ag) in five nuclear graphite grades – POCO AXF-5Q, POCO ZXF-5Q, PCEA, IG110, and NBG-18. Experimental investigation for diffusion of other fission products (iodine, cesium, and krypton) in graphite could not be carried out due to extreme evaporation due to high vapor pressure, despite several attempts incorporating various experimental schemes. Experimental investigation with irradiated graphite could not be carried out because necessary approval to transport irradiated graphite could not be obtained due to procedural reasons at ORNL and national policy change in UK. An effort was made to “produce” by ion sputtering, but it was discontinued because the outcome did not adequately represent irradiated graphite. Thin film and “cup-and-cap” methods were employed to deposit fission products, diffusion annealed were carried out in an argon atmosphere, and concentration profiles were determined by dynamic secondary ion mass spectroscopy depth profiling technique. Regardless of graphite type, anomalous diffusion behavior of Ru (i.e., lower than expected based on Arrhenius temperature dependence) at an intermediate temperature, around 600 to 700 °C, was observed. Diffusion behavior of silver on the other hand agreed well to the Arrhenius temperature dependence although the excessive evaporation of silver hampered the accurate determination of diffusivities at temperature higher than 900 °C. In general, silver was observed to diffuse faster than Ru in the temperature range compared from 500 to 900 °C, had consistently had higher pre-exponential factor corresponding to higher jump frequency. To understand the abnormal diffusional behavior of Ru in graphite in intermediate temperature range, a detailed microstructural analysis was carried out. Clustering of Ru into particles on the surface of graphite was observed around 700 °C corresponding to de-wetting and spheroidization. This change would influence the boundary condition of diffusion, although features of clustering was much smaller (<1 mm) than the SIMS raster size (120 x 120 mm). Raman spectroscopy also demonstrated that Raman peak intensity for Ru decreased significantly for samples annealed higher than 700 °C and presence of Ru in graphite altered the crystallinity of graphite. To further elucidate the abnormal diffusion behavior observed in intermediate temperature investigated, the vibrational properties of graphene, bilayer graphene and Kr atoms in bilayer graphene were investigated with molecular dynamics. Krypton, which is a fission product, was introduced between a bilayer graphene system to evaluate (i) whether the phonon dispersion curves change with high temperature in bilayer graphene (ii) whether the addition of Kr atoms between the bilayer introduces any significant change in the vibrational properties, and (iii) whether any change in the vibrational properties can be correlated to the diffusive behavior of Kr atoms. The results show that the Kr atoms indeed exhibit an anomalous diffusive behavior at 550°C. Phonon analysis shows that a few phonon frequencies are enhanced as much as 20 to 30 % with the addition of just 0.2 at.% Kr. So, this may explain the unexpected self-diffusivity of fission products.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Characterization of Oxidative Modifications to Short Peptides Using Low Dose Rate X-Rays

The method of X-ray footprinting and mass spectrometry (XFMS) using high flux synchrotron X-ray sources has become an established method in structural biology and is based on the radiolytic production of hydroxyl radicals, which oxidatively modify protein sidechains. While other methods of producing hydroxyl radicals are available, one benefit of using high flux density sources is that hydroxyl radical scavenging reactions can be minimized, and exposure times kept short to minimize secondary reactions. Here we present an application of the XFMS method using low dose rate X-rays from a commercial instrument. We demonstrate the feasibility of the approach using short peptides, characterizing the oxidative modifications +14, +16, and +32 Da under both aerobic and low oxygen conditions, and we additionally quantify the hydrogen peroxide production for various doses using the low dose rate source. These results provide fundamental information on the oxidative damage to peptides due to hydroxyl radicals using a low dose rate X-ray source.

X-ray methods↗
NASA NTRS2002

A Generalized Weizsacker-Williams Method Applied to Pion Production in Proton-Proton Collisions

A new "Generalized" Weizsacker-Williams method (GWWM) is used to calculate approximate cross sections for relativistic peripheral proton-proton collisions. Instead of a mass less photon mediator, the method allows for the mediator to have mass for short range interactions. This method generalizes the Weizsacker-Williams method (WWM) from Coulomb interactions to GWWM for strong interactions. An elastic proton-proton cross section is calculated using GWWM with experimental data for the elastic p+p interaction, where the mass p+ is now the mediator. The resulting calculated cross sections is compared to existing data for the elastic proton-proton interaction. A good approximate fit is found between the data and the calculation.

Ahern, Sean C.↗
NASA NTRS2017

Snow Accumulation Variability on a West Antarctic Ice Stream Observed with GPS Reflectometry, 2007-2017

Land ice loss from Antarctica is a significant and accelerating contribution to global sea level rise; however, Antarctic mass balance estimates are complicated by insufficient knowledge of surface mass balance processes such as snow accumulation. Snow accumulation is challenging to observe on a continental scale and in situ data are sparse, so we largely rely on estimates from atmospheric models. Here we employ a novel technique, GPS interferometric reflectometry (GPS-IR), to measure upper (less than 2 m) firn column thickness changes across a 23-station GPS array in West Antarctica. We compare the results with antenna heights measured in situ to establish the method's daily uncertainty (0.06 m) and with output from two atmospheric reanalysis products to categorize spatial and temporal variability of net snow accumulation. GPS-IR is an effective technique for monitoring surface mass balance processes that can be applied to both historic GPS data sets and future experiments to provide critical in situ observations of processes driving surface height evolution.

snow↗
NASA NTRS2013

A Tool for the Automated Design and Evaluation of Habitat Interior Layouts

The objective of space habitat design is to minimize mass and system size while providing adequate space for all necessary equipment and a functional layout that supports crew health and productivity. Unfortunately, development and evaluation of interior layouts is often ignored during conceptual design because of the subjectivity and long times required using current evaluation methods (e.g., human-in-the-loop mockup tests and in-depth CAD evaluations). Early, more objective assessment could prevent expensive design changes that may increase vehicle mass and compromise functionality. This paper describes a new interior design evaluation method to enable early, structured consideration of habitat interior layouts. This interior layout evaluation method features a comprehensive list of quantifiable habitat layout evaluation criteria, automatic methods to measure these criteria from a geometry model, and application of systems engineering tools and numerical methods to construct a multi-objective value function measuring the overall habitat layout performance. In addition to a detailed description of this method, a C++/OpenGL software tool which has been developed to implement this method is also discussed. This tool leverages geometry modeling coupled with collision detection techniques to identify favorable layouts subject to multiple constraints and objectives (e.g., minimize mass, maximize contiguous habitable volume, maximize task performance, and minimize crew safety risks). Finally, a few habitat layout evaluation examples are described to demonstrate the effectiveness of this method and tool to influence habitat design.

Simon, Matthew A.↗
DOE OSTI2026

Robust and High Throughput Tools for Characterization of Wet Cellulosic Biogas Feedstocks and Co-Products: Cooperative Research and Development Final Report, CRADA Number CRD-21-21472

This project will develop standardized analytical procedures to support understanding of the chemical composition of wet manure feedstocks, and the digestate formed following anaerobic digestion of organic waste to produce renewable natural gas (RNG). The developed methods will be validated to improve component mass closure, eliminate ambiguities around key constituents, and document the precision and accuracy of the methods. Following validation of the analytical laboratory methods for characterization of wet organic waste feedstocks and digestate, NLR will use the same samples to build and validate near-infrared (NIR) models for high throughput analysis, potentially deployable at commercial facilities, enabling increased production of low carbon intensity RNG from wet organic wastes.

09 BIOMASS FUELS↗
DOE OSTI2020

Disassembling 2D van der Waals crystals into macroscopic monolayers and reassembling into artificial lattices

Two-dimensional materials from layered van der Waals (vdW) crystals hold great promise for electronic, optoelectronic, and quantum devices, but technological implementation will be hampered by the lack of high-throughput techniques for exfoliating single-crystal monolayers with sufficient size and high quality. Here, we report a facile method to disassemble vdW single crystals layer by layer into monolayers with near-unity yield and with dimensions limited only by bulk crystal sizes. The macroscopic monolayers are comparable in quality to microscopic monolayers from conventional Scotch tape exfoliation. The monolayers can be assembled into macroscopic artificial structures, including transition metal dichalcogenide multilayers with broken inversion symmetry and substantially enhanced nonlinear optical response. This approach takes us one step closer to mass production of macroscopic monolayers and bulk-like artificial materials with controllable properties.

Science & Technology - Other Topics↗
DOE OSTI2023

Assessment of the impact of reactor residence time distribution on non-equilibrium product selectivity of polypropylene pyrolysis using reactive molecular dynamics simulations

Mass residence time distribution (RTD) is considered to be an important factor controlling the product selectivity in the pyrolysis of biomass and plastic wastes along with the pyrolysis chemistry. However, due to the complex pyrolysis chemistry of biomass and plastic waste, the coupling between the reaction chemistry, RTD, and product selectivity is challenging to understand. Here, we introduce a reaction molecular dynamics-based method to examine pyrolysis chemistry and species timescales to assess the impact of RTD on product selectivity and yield. To validate this method, reactive molecular dynamics simulations were conducted for polypropylene pyrolysis and its non-equilibrium product selectivity using 6 different RTDs. We find that the RTD and the reaction chemistry control the peak non-equilibrium product concentrations. The peak monomer (C 3 H 6 ) concentration during pyrolysis can be increased by up to 25 % by using a narrow RTD in the case of polypropylene pyrolysis. We also find that product selectivity is strongly affected by the average residence time and RTD. This coupling between the reaction chemistry, RTD, and product selectivity highlights the need to understand detailed reaction chemistry to control RTD and optimize non-equilibrium product selectivity during polymer and biomass pyrolysis. The present method provides a new way to design RTD for reactors to reach maximized product selectivity of plastic waste and biomass.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Detection and confirmation of fentanyls in high clay‐content soil by electron ionization gas chromatography‐mass spectrometry

Abstract Detection of illicit drugs in the environment, particularly in soils, often suggests the present or past location of a clandestine production center for these substances. Thus, development of efficient methods for the analysis and detection of these chemicals is of paramount importance in the field of chemical forensics. In this work, a method involving the extraction and retrospective confirmation of fentanyl, acetylfentanyl, thiofentanyl, and acetylthiofentanyl using trichloroethoxycarbonylation chemistry in a high clay‐content soil is presented. The soil was spiked separately with each fentanyl at two concentrations (1 and 10 μg/g) and their extraction accomplished using ethyl acetate and aqueous NH 4 OH (pH ~ 11.4) with extraction recoveries ranging from ~56% to 82% for the high‐concentration (10 μg/g) samples while ranging from ~68% to 83% for the low‐concentration (1 μg/g) samples. After their extraction, residues containing each fentanyl were reacted with 2,2,2‐trichloroethoxycarbonyl chloride (Troc‐Cl) to generate two unique and predictable products from each opioid that can be used to retrospectively confirm their presence and identity using EI‐GC‐MS. The method's limit of detection (MDL/LOD) for Troc‐norfentanyl and Troc‐noracetylfentanyl were estimated to be 29.4 and 31.8 ng/mL in the organic extracts. In addition, the method's limit of quantitation for Troc‐norfentanyl and Troc‐noracetylfentanyl were determined to be 88.2 and 95.5 ng/mL, respectively. Collectively, the results presented herein strengthen the use of chloroformate chemistry as an additional chemical tool to confirm the presence of these highly toxic and lethal substances in the environment.

Valdez, Carlos A.↗
NASA NTRS1984

C-14 content of ten meteorites measured by tandem accelerator mass spectrometry

Measurements of C-14 in three North American and seven Antarctic meteorites show in most cases that this cosmogenic isotope, which is tightly bound, was separated from absorbed atmospheric radiocarbon by stepwise heating extractions. The present upper limit to age determination by the accelerator method varies from 50,000 to 70,000 years, depending on the mass and carbon content of the sample. The natural limit caused by cosmic ray production of C-14 in silicate rocks at 2000 m elevation is estimated to be 55,000 + or - 5000 years. An estimation is also made of the 'weathering ages' of the Antarctic meteorites from the specific activity of loosely bound CO2 which is thought to be absorbed from the terrestrial atmosphere. Accelerator measurements are found to agree with previous low level counting measurements, but are more sensitive and precise.

Brown, R. M.↗
NASA NTRS2013

Chemical Enrichment and Physical Conditions in IZw18*

Low-metallicity star-forming dwarf galaxies are prime targets to understand the chemical enrichment of the interstellar medium. The H I region contains the bulk of the mass in blue compact dwarfs, and it provides important constraints on the dispersal and mixing of heavy elements released by successive star-formation episodes. The metallicity of the H I region is also a critical parameter to investigate the future star-formation history, as metals provide most of the gas cooling that will facilitate and sustain star formation. Aims. Our primary objective is to study the enrichment of the H I region and the interplay between star-formation history and metallicity evolution. Our secondary obje ctive is to constrain the spatial- and time-scales over which the HI and H II regions are enriched, and the mass range of stars responsible for the heavy element production. Finally, we aim to examine the gas heating and cooling mechanisms in the H I region. Methods. We observed the most metal-poor star-forming galaxy in the Local Universe, I Zw 18, with the Cosmic Origin Spectrograph onboard Hubble. The abundances in the neutral gas are derived from far-ultraviolet absorption-lines (H I, CIII, CIIi*, N I, OI,...) and are compared to the abundances in the H II region. Models are constructed to calculate the ionization structure and the thermal processes. We investigate the gas cooling in the HIi region through physical diagnostics drawn from the fine-structure level of C+. Results. We find that H I region abundances are lower by a factor of approx 2 as compared to the H II region. There is no differential depletion on dust between the H I and H II region. Using sulfur as a metallicity tracer, we calculate a metallicity of 1/46 Z(solar) (vs. 1/31 Z(solar) in the H II region). From the study of the C/O, [O/Fe], and N/O abundance ratios, we propose that C, N, O, and Fe are mainly produced in massive stars. We argue that the H I envelope may contain pockets of pristine gas with a metallicity essentially null. Finally, we derive the physical conditions in the H I region by investigating the C II* absorption line. The cooling rate derived from C II* is consistent with collisions with H(sup 0) atoms in the diffuse neutral gas. We calculate the star-formation rate from the CII* cooling rate assuming that photoelectric effect on dust is the dominant gas heating mechanism. Our determination is in good agreement with the values in the literature if we assume a low dust-to-gas ratio (approx 2000 times lower than the Milky Way value).

far-ultraviolet absorption-lines↗
NASA NTRS2015

3D Photocatalytic Air Processor for Dramatic Reduction of Life Support Mass and Complexity

To dramatically reduce the cost and risk of CO2 management systems in future extended missions, we have conducted preliminary studies on the materials and device development for advanced "artificial photosynthesis" reaction systems termed the High Tortuosity PhotoElectroChemical (HTPEC) system. Our Phase I studies have demonstrated that HTPEC operates in much the same way a tree would function, namely directly contacting the cabin air with a photocatalyst in the presence of light and water (as humidity) to immediately conduct the process of CO2 reduction to O2 and useful, "tunable" carbon products. This eliminates many of the inefficiencies associated with current ISS CO2 management systems. We have laid the solid foundation for Phase II work to employ novel and efficient reactor geometries, lighting approaches, 3D manufacturing methods and in-house grown novel catalytic materials.The primary objective of the proposed work is to demonstrate the scientific and engineering foundation for light-activated, compact devices capable of converting CO2 to O2 and mission-relevant carbon compounds. The proposed HTPEC CO2 management system will demonstrate a novel pathway with high efficiency and reliability in a compact, lightweight reactor architecture. The proposed HTPEC air processing concept can be developed in multiple architectures, such as centralized processing as well as "artificial leaves" distributed throughout the cabin that utilize pre-existing cabin ventilation (wind). Additionally, HTPEC can be deployed with spectrally tunable collection channels for selectable product generation. HTPEC employs light as its only energy source to remove and convert waste CO2 using a non-toxic composite catalyst.We have demonstrated in the Phase I studies the production, tunability and robustness of the novel composite catalysts following the preliminary work in the Chen laboratory. Additionally, we have designed, fabricated and tested all components of HTPEC device with active materials, including flow modeling to optimize flow mixing and pressure drop as well as the production of ethylene and other larger hydrocarbons. To best determine how this technology could be implemented, we also performed system integration optimization and trade studies. This includes parameters such as mass, volume, power in relation to selected mission configurations, CO2 delivery methods and light source/delivery approaches.

Artificial Photosynthesis↗
NASA NTRS2026

Spatially Refined Satellite Gravimetry Captures Human Signatures in Global Terrestrial Water Storage Trends

Human activities have directly altered the water cycle through water management, aquifer pumping, agricultural irrigation, and land use change. Although satellite gravimetry has transformed global hydrological research, its coarse resolution limits attribution of freshwater change to human activities at many management-relevant scales. Here we assessed global terrestrial water storage (TWS) trends from April 2002 to November 2025 using “stacked” regression of Level-1B intersatellite ranging data, which leverages temporal information and variability to dramatically improve effective spatial resolution relative to standard approaches. We combined this refined product with rigorous uncertainty analysis, autocorrelation-robust geostatistical methods, and literature assessment to evaluate TWS trend associations with land and water use, climate variability, and glacial mass loss. We identified TWS trend hotspots exhibiting significant spatial associations with anthropogenic 40 drivers, including groundwater and surface-water irrigation, rainfed agriculture, deforestation, and reservoir impoundment. Across these regions, cumulative TWS losses (3,122 Gt) substantially exceeded gains (2,432 Gt). Compared with traditional regression of monthly mascons, our approach yielded regional trend magnitudes that are on average 33% larger, revealing that global freshwater depletion, particularly from groundwater pumping, is considerably more acute than previously estimated. Multivariate regression models show that humans account for a significant share of the spatial variability in TWS trends on every non-polar continent except Australia. We detected localized TWS gains linked to rainfed agriculture, surface water irrigation, and reservoir filling that were unresolved in earlier gravimetric studies. The methodology provides a foundation for future gravity missions to independently track decadal freshwater change with unprecedented spatial fidelity.

groundwater↗
DOE OSTI2021

Study of the Synchrotron Photoionization Oxidation of Alpha-Angelica Lactone (AAL) Initiated by O( 3 P) at 298, 550, and 700 K

In recent years, biofuels have been receiving significant attention because of their potential for decreasing carbon emissions and providing a long-term renewable solution to unsustainable fossil fuels. Currently, lactones are some of the alternatives being produced. Many lactones occur in a range of natural substances and have many advantages over bioethanol. In this study, the oxidation of alpha-angelica lactone initiated by ground-state atomic oxygen, O( 3 P), was studied at 298, 550, and 700 K using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at the Lawrence Berkeley National Lab (LBNL). Photoionization spectra and kinetic time traces were measured to identify the primary products. Ketene, acetaldehyde, methyl vinyl ketone, methylglyoxal, dimethyl glyoxal, and 5-methyl-2,4-furandione were characterized as major reaction products, with ketene being the most abundant at all three temperatures. Possible reaction pathways for the formation of the observed primary products were computed using the CBS–QB3 composite method.

09 BIOMASS FUELS↗