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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Composites with improved fiber-resin interfacial adhesion

The adhesion of fiber reinforcement such as high modulus graphite to a matrix resin such as polycarbonate is greatly enhanced by applying a very thin layer, suitably from 50 Angstroms to below 1000 Angstroms, to the surface of the fiber such as by immersing the fiber in a dilute solution of the matrix resin in a volatile solvent followed by draining to remove excess solution and air drying to remove the solvent. The thin layer wets the fiber surface. The very dilute solution of matrix resin is able to impregnate multifilament fibers and the solution evenly flows onto the surface of the fibers. A thin uniform layer is formed on the surface of the fiber after removal of the solvent. The matrix resin coated fiber is completely wetted by the matrix resin during formation of the composite. Increased adhesion of the resin to the fibers is observed at fracture. At least 65 percent of the surface of the graphite fiber is covered with polycarbonate resin at fracture whereas uncoated fibers have very little matrix resin adhering to their surfaces at fracture and epoxy sized graphite fibers exhibit only slightly higher coverage with matrix resin at fracture. Flexural modulus of the composite containing matrix resin coated fibers is increased by 50 percent and flexural strength by 37 percent as compared to composites made with unsized fibers.

Cizmecioglu, Muzaffer↗
NASA NTRS2008

Ground Facility for Vicarious Calibration of Skyborne Sensors

An automated ground facility, for vicarious radiometric calibration of airborne and spaceborne sensors of visible and infrared light has been established. In the term "vicarious calibration," "vicarious" is used in the sense of "in place of another," signifying "in place of laboratory calibration." Vicarious calibration involves the use of ground truth in the form of measurements by ground-viewing radiometers, a Sun-viewing photometer, and meteorological instruments positioned in a ground target area. The instrumentation at the facility includes a light-emitting-diode spectrometer (LSpec), which consists of eight tripod-mounted, ground-viewing radiometer units containing LEDs biased to operate as photodetectors (instead of light emitters) at their respective wavelengths. The LSpec provides an essentially continuous stream of measurements at eight discrete wavelengths. These are merged with spectral surface-reflectance measurements made on occasional site visits to obtain temporally continuous coverage with high spectral resolution.

Bruegge, Carol↗
NASA NTRS2011

Quantifying Spatial and Seasonal Variability in Atmospheric Ammonia with In Situ and Space-Based Observations

Ammonia plays an important role in many biogeochemical processes, yet atmospheric mixing ratios are not well known. Recently, methods have been developed for retrieving NH3 from space-based observations, but they have not been compared to in situ measurements. We have conducted a field campaign combining co-located surface measurements and satellite special observations from the Tropospheric Emission Spectrometer (TES). Our study includes 25 surface monitoring sites spanning 350 km across eastern North Carolina, a region with large seasonal and spatial variability in NH3. From the TES spectra, we retrieve a NH3 representative volume mixing ratio (RVMR), and we restrict our analysis to times when the region of the atmosphere observed by TES is representative of the surface measurement. We find that the TES NH3 RVMR qualitatively captures the seasonal and spatial variability found in eastern North Carolina. Both surface measurements and TES NH3 show a strong correspondence with the number of livestock facilities within 10 km of the observation. Furthermore, we find that TES H3 RVMR captures the month-to-month variability present in the surface observations. The high correspondence with in situ measurements and vast spatial coverage make TES NH3 RVMR a valuable tool for understanding regional and global NH3 fluxes.

Pinder, Robert W.↗
NASA NTRS2020

Global Estimates and Long-Term Trends of Fine Particulate Matter Concentrations (1998-2018)

Exposure to outdoor fine particulate matter (PM2.5) is a leading risk factor for mortality. We develop global estimates of annual PM2.5 concentrations and trends for 1998–2018 using advances in satellite observations, chemical transport modeling, and ground-based monitoring. Aerosol optical depths (AODs) from advanced satellite products including finer resolution, increased global coverage, and improved long-term stability are combined and related to surface PM2.5 concentrations using geophysical relationships between surface PM2.5 and AOD simulated by the GEOS-Chem chemical transport model with updated algorithms. The resultant annual mean geophysical PM2.5 estimates are highly consistent with globally distributed ground monitors (R2 = 0.81; slope = 0.90). Geographically weighted regression is applied to the geophysical PM2.5 estimates to predict and account for the residual bias with PM2.5 monitors, yielding even higher cross validated agreement (R2 = 0.90–0.92; slope = 0.90–0.97) with ground monitors and improved agreement compared to all earlier global estimates. The consistent long-term satellite AOD and simulation enable trend assessment over a 21 year period, identifying significant trends for eastern North America (−0.28 ± 0.03 μg/m3/yr), Europe (−0.15 ± 0.03 μg/m3/yr), India (1.13 ± 0.15 μg/m3/yr), and globally (0.04 ± 0.02 μg/m3/yr). The positive trend (2.44 ± 0.44 μg/m3/yr) for India over 2005–2013 and the negative trend (−3.37 ± 0.38 μg/m3/yr) for China over 2011–2018 are remarkable, with implications for the health of billions of people.

Melanie S. Hammer↗
NASA NTRS2020

Connecting Users and Applications with Po.daac Hosted GHRSST Data

The 80+ GHRSST public datasets represent a rich resource for sea surface temperature research and applications given their time series length, resolution, spatial coverage, varying measurement types and processing levels, and availability in the full spectrum of PO.DAAC tools and services ecosystem. The PO.DAAC has created a publicly accessible recipe suite for the user community to perform straightforward yet powerful computations on GHRSST data using python recipes, Jupyter notebooks, R, Matlab, and the NCO programming language. These recipes include numerical computations for regional and global SST trends, anomaly derivations, EOF analysis, climate signal reproduction, and ocean phenology. For example, one recipe reproduces a famous SST based warming figure from the Fourth National Climate Assessment (USA) while another focuses on quantifying the regional changes in ocean SST phenology. Most are python-based while some contain hybrid calls and leverage the NCO programming interface too. All are available on the PO.DAAC user forum (https://podaac.jpl.nasa.gov/forum/) and/or via the open source NASA GitHub repository (https://github.com/nasa/podaac_tools_and_services). Several are available in the Jupyter notebook framework including podaacypy (https://github.com/nasa/podaacpy), a recipe for GHRSST granule metadata discovery and application, and more recently a Jupyter notebook developed to support data analysis and visualization of a cloud-based Zarr formatted Level 4 MUR dataset in the AWS Open Data Registry. Throughout the summer of 2020, the PO.DAAC intends to add and migrate more of its numerical recipes to the Jupyter notebook framework and publish them on its open source GitHub repository.

Gentemann, Chelle↗
NASA NTRSDate not supplied

Application and Use of Lunar Node-Derived Beacons for Lunar Surface Navigation

To maximize the scientific return and safety of operations on the lunar surface, multiple civil organizations are investing in Position, Navigation, and Timing infrastructure. This approach mimics the deployment of Global Navigation Satellite Systems around the Earth and aims to enable a similar robust capability around the moon. With these satellites, it will be possible to maintain high- fidelity knowledge of positioning and timing both on the surface and in orbit. For initial deployments, this capability is focused on high need areas, such as the Lunar South Pole, the target of the currently in-planning Artemis surface missions to high accuracy. Similar to GNSS systems, this capability will be implemented over time to build up to a level of global access for real-time navigation. For early missions, this means a limited capability in terms of coverage. To provide increased performance, ground augmentation can be leveraged. This not only provides an additional reference signal but helps to supply timing to enable a high accuracy real-time position solutions. This paper discusses the path towards evolving the Lunar Node 1 platform to augment these early constellation deployments. Analysis of notional performance with and without surface aids is provided, as well as discussion and paths towards deployment and operation. Given the analysis results, the benefit of surface navigation aids to both provide additional surface-based signals to fill in coverage gaps helps to provide additional robustness and an early-on capability.

Evan J. Anzalone↗
NASA NTRS2020

Monitoring Water-Related Ecosystems with Earth Observation Data in Support of Sustainable Development Goal (SDG) 6 Reporting

Lack of national data on water-related ecosystems is a major challenge to achieving the Sustainable Development Goal (SDG) 6 targets by 2030. Monitoring surface water extent, wetlands, and water quality from space can be an important asset for many countries in support of SDG 6 reporting. We demonstrate the potential for Earth observation (EO) data to support country reporting for SDG Indicator 6.6.1, ‘Change in the extent of water-related ecosystems over time’ and identify important considerations for countries using these data for SDG reporting. The spatial extent of water-related ecosystems, and the partial quality of water within these ecosystems is investigated for seven countries. Data from the Moderate Resolution Imaging Spectroradiometer (MODIS) and Landsat 5, 7, and 8 with Shuttle Radar Topography Mission (SRTM) are used to measure surface water extent at 250 m and 30 m spatial resolution, respectively, in Cambodia, Jamaica, Peru, the Philippines, Senegal, Uganda, and Zambia. The extent of mangroves is mapped at 30 m spatial resolution using Landsat 8 Operational Land Imager (OLI), Sentinel-1, and SRTM data for Jamaica, Peru, and Senegal. Using Landsat 8 and Sentinel 2A imagery, total suspended solids and chlorophyll-a are mapped over time for a select number of large surface water bodies in Peru, Senegal, and Zambia. All of the EO datasets used are of global coverage and publicly available at no cost. The temporal consistency and long time-series of many of the datasets enable replicability over time, making reporting of change from baseline values consistent and systematic. We find that statistical comparisons between different surface water data products can help provide some degree of confidence for countries during their validation process and highlight the need for accuracy assessments when using EO-based land change data for SDG reporting. We also raise concern that EO data in the context of SDG Indicator 6.6.1 reporting may be more challenging for some countries, such as small island nations, than others to use in assessing the extent of water-related ecosystems due to scale limitations and climate variability. Country-driven validation of the EO data products remains a priority to ensure successful data integration in support of SDG Indicator 6.6.1 reporting. Multi-country studies such as this one can be valuable tools for helping to guide the evolution of SDG monitoring methodologies and provide a useful resource for countries reporting on water-related ecosystems. The EO data analyses and statistical methods used in this study can be easily replicated for country-driven validation of EO data products in the future.

water-related ecosystems; surface water extent; ma↗
NASA NTRS2020

Monitoring Water-Related Ecosystems with Earth Observation Data in Support of Sustainable Development Goal (SDG) 6 Reporting

Lack of national data on water-related ecosystems is a major challenge to achieving the Sustainable Development Goal (SDG) 6 targets by 2030. Monitoring surface water extent, wetlands, and water quality from space can be an important asset for many countries in support of SDG 6reporting. We demonstrate the potential for Earth observation (EO) data to support country reporting for SDG Indicator 6.6.1, ‘Change in the extent of water-related ecosystems over time’ and identify important considerations for countries using these data for SDG reporting. The spatial extent of water-related ecosystems, and the partial quality of water within these ecosystems is investigated for seven countries. Data from the Moderate Resolution Imaging Spectroradiometer (MODIS) and Landsat 5, 7, and 8 with Shuttle Radar Topography Mission (SRTM) are used to measure surface water extent at 250 m and 30 m spatial resolution, respectively, in Cambodia, Jamaica, Peru, the Philippines, Senegal, Uganda, and Zambia. The extent of mangroves is mapped at 30 m spatial resolution using Landsat 8 Operational Land Imager (OLI), Sentinel-1, and SRTM data for Jamaica, Peru, and Senegal. Using Landsat 8 and Sentinel 2A imagery, total suspended solids and chlorophyll-a are mapped overtime for a select number of large surface water bodies in Peru, Senegal, and Zambia. All of the EO datasets used are of global coverage and publicly available at no cost. The temporal consistency and long time-series of many of the datasets enable replicability over time, making reporting of change from baseline values consistent and systematic. We find that statistical comparisons between different surface water data products can help provide some degree of confidence for countries during their validation process and highlight the need for accuracy assessments when using EO-based land change data for SDG reporting. We also raise concern that EO data in the context of SDG Indicator 6.6.1reporting may be more challenging for some countries, such as small island nations, than others to use in assessing the extent of water-related ecosystems due to scale limitations and climate variability. Country-driven validation of the EO data products remains a priority to ensure successful data integration in support of SDG Indicator 6.6.1 reporting. Multi-country studies such as this one can be valuable tools for helping to guide the evolution of SDG monitoring methodologies and provide a useful resource for countries reporting on water-related ecosystems. The EO data analyses and statistical methods used in this study can be easily replicated for country-driven validation of EO data products in the future.

Raha Hakimdavar↗
NASA NTRS1999

Implications of MOLA Global Roughness, Statistics, and Topography

New insights are emerging as the ongoing high-quality measurements of the Martian surface topography by Mars Orbiter Laser Altimeter (MOLA) on board the Mars Global Surveyor (MGS) spacecraft increase in coverage, resolution, and diversity. For the first time, a global characterization of the statistical properties of topography is possible. The data were collected during the aerobreaking hiatus, science phasing, and mapping orbits of MGS, and have a resolution of 300-400 m along track, a range resolution of 37.5 cm, a range precision of 1-10 m for surface slopes up to 30 deg., and an absolute accuracy of topography of 13 m. The spacecraft's orbit inclination dictates that nadir observations have latitude coverage of about 87.1S to 87.1N; the addition of observations obtained during a period of off-nadir pointing over the north pole extended coverage to 90N. Additional information is contained in the original extended abstract.

Aharonson, O.↗
DOE OSTI2024

Comprehensive new insights on the potential use of SiC as plasma-facing materials in future fusion reactors

Abstract The performance of silicon carbide as an alternative plasma facing material (PFM) was studied at various irradiation conditions relevant to ion energies and fluxes of a fusion reactor. This analysis involves detailed modeling of subsurface plasma/material interactions, sputtered particle transport above the surface and redeposition, and related changes in material composition and microstructure induced by steady-state and Edge Localized Mode ion fluxes. Transition of a crystalline SiC surface to semi-crystalline and amorphous phases was analyzed based on advanced modeling of DIII-D tokamak experiments where SiC was irradiated in single- and multiple- L-mode and H-mode discharges. This analysis shows that displacement damage, particle deposition/redeposition, and D accumulation on the SiC divertor surface can lead to significant microstructural changes that result in enhanced sputtering erosion in comparison with the original crystalline material. However, the resulting total net erosion rate for a full-coverage, advanced tokamak, SiC coated divertor may well be acceptably low. Moreover, the C sputtering yield from the evolved SiC surface can be seven times lower than from a pure graphite surface; this would imply significantly reduced tritium co-deposition rates in a D-T tokamak reactor, compared with a pure carbon surface. It was also determined that chemical sputtering of both C and Si should not result in any noticeable effect on the net erosion, for attached plasma regimes. Our results thus show encouraging results overall for use of SiC as a PFM in tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1987

The Magellan mission to Venus

The Magellan mission will be the next NASA mission to Venus. This paper describes the mission as it is currently planned, showing how the design of the science payload, the spacecraft, and the mission satisfies the science objectives and requirements as well as other programmatic constraints. The Magellan mission is dedicated to obtaining SAR images of at least 70 percent of the surface of Venus at a resolution of 1 km per line-pair, or better, which is comparable to the coverage and resolution of the Mars Mariner 9 mission. Other investigations will study the geophysical characteristics of the planet using altimetric data and gravity field measurements, and measurements to determine global surface emissivity.

Dallas, S. S.↗
DOE OSTI2023

High-resolution lithospheric structure of continental China from joint inversion of surface wave and gravity data

The lithospheric structure of continental China has been previously determined by seismic travel time tomography, surface wave tomography, and joint inversion of body wave and surface wave data. However, due to the inherent limitations of seismic data, the lithospheric structure of continental China is still not well resolved in the shallow part and in some regions where the station coverage is relatively sparse. In this study, we aim at improving the lithospheric structure by joint inversion of seismic surface wave data and satellite gravity data to take advantage of the uniform distribution and complementary strength of the gravity data. Here, the empirical relationship between velocity and density is used as a bridge for joint inversion of surface wave and gravity data. The joint inversion shear-wave velocity Vs (density) model, named as USTClitho1.0g, can fit both surface wave and gravity data well. This high-resolution Vs model can better fit the active airgun source seismic arrival times and better delineate some features in continental China, such as the velocity contrast across the north–south gravity lineament (NSGL), the lithosphere thinning in eastern China, the crustal footprint of the Hainan mantle plume, the likely magma chamber beneath volcanos in northeast China, the middle-lower crust low velocity layer beneath the Tibetan plateau, and the tearing of subducted Indian mantle lithosphere. Our joint inversion Vs model can provide a reference model for geosciences in continental China and surrounding areas.

58 GEOSCIENCES↗
NASA NTRS2008

The Effect of Simulated Lunar Dust on the Absorptivity, Emissivity, and Operating Temperature on AZ-93 and Ag/FEP Thermal Control Surfaces

JSC-1AF lunar simulant has been applied to AZ-93 and AgFEP thermal control surfaces on aluminum or composite substrates in a simulated lunar environment. The temperature of these surfaces was monitored as they were heated with a solar simulator and cooled in a 30 K coldbox. Thermal modeling was used to determine the absorptivity ( ) and emissivity ( ) of the thermal control surfaces in both their clean and dusted states. Then, a known amount of power was applied to the samples while in the coldbox and the steady state temperatures measured. It was found that even a submonolayer of simulated lunar dust can significantly degrade the performance of both white paint and second-surface mirror type thermal control surfaces under these conditions. Contrary to earlier studies, dust was found to affect as well as . Dust lowered the emissivity by as much as 16 percent in the case of AZ-93, and raised it by as much as 11 percent in the case of AgFEP. The degradation of thermal control surface by dust as measured by / rose linearly regardless of the thermal control coating or substrate, and extrapolated to degradation by a factor 3 at full coverage by dust. Submonolayer coatings of dust were found to not significantly change the steady state temperature at which a shadowed thermal control surface will radiate.

Gaier, James R.↗
DOE OSTI2026

Insights into Nonelectroactive C–C Bond Formation on Cu(100) during Electrochemical CO 2 Reduction from Multiconfigurational Wavefunction Theory

Carbon–carbon (C–C) bond formation is necessary for hydrocarbon (and oxygenate) synthesis beyond methane (and formate/formic acid) during electrochemical CO and CO 2 reduction (ECOR and ECO 2 R). Cu has notable ability to form hydrocarbons compared to other pure metals. In particular, the (100) facet of face-centered cubic Cu forms ethylene competitively with H 2 and methane during both ECOR and ECO 2 R. Past simulations based on density functional theory (DFT) with standard exchange-correlation functional approximations predict fast nonelectroactive C–C bond formation channels involving adsorbed (*) CO together with another *CO, formyl (*CHO), or hydroxymethylidyne (*COH), forming OC*–*CO, OC*–CHO*, and OC*–*COH, respectively. Such simulations support the prevailing hypothesis that emergence of C 2 products is kinetically determined at the early stages of the reduction chemistry. Here we show, via simulations with more accurate many-body, i.e., “correlated”, wavefunction theory (enabled by an embedding scheme), that the coupling of *CO with a *CO or a *COH (previously predicted at the same level of theory to kinetically dominate over *CHO as the one-electron reduction product of *CO) is highly activated (kinetically impeded), with free energy barriers >1 eV, in contradiction to previous DFT-based simulations. Intriguingly, we find that the coupling of two adjacent *COHs incurs only a small barrier (<0.3 eV) and is exoergic (< –1 eV); however, given the predicted low surface mobility of *COH, the emergence of HOC*–*COH is also improbable, at least at low *COH coverages. We therefore conclude that it is highly unlikely for *CO to participate in nonelectroactive C–C bond formation on pristine Cu(100), contrary to conventional wisdom, and that the energetically favorable *COH dimerization may occur only after substantial buildup of *COH on the surface.

adsorption↗
DOE OSTI2021

Influence of Heterointerfaces on the Kinetics of Oxygen Surface Exchange on Epitaxial La 1.85 Sr 0.15 CuO 4 Thin Films

Considerable attention has been directed to understanding the influence of heterointerfaces between Ruddlesden–Popper (RP) phases and ABO 3 perovskites on the kinetics of oxygen electrocatalysis at elevated temperatures. Here, we report the effect of heterointerfaces on the oxygen surface exchange kinetics by employing heteroepitaxial oxide thin films formed by decorating LaNiO 3 (LNO) on La 1.85 Sr 0.15 CuO 4 (LSCO) thin films. Regardless of LNO decoration, tensile in-plane strain on LSCO films does not change. The oxygen surface exchange coefficients (kchem) of LSCO films extracted from electrical conductivity relaxation curves significantly increase with partial decorations of LNO, whereas full LNO coverage leads to the reduction in the kchem of LSCO films. The activation energy for oxygen exchange in LSCO films significantly decreases with partial LNO decorations in contrast with the full coverage of LNO. Optical spectroscopy reveals the increased oxygen vacancies in the partially covered LSCO films relative to the undecorated LSCO film. We attribute the enhanced oxygen surface exchange kinetics of LSCO to the increased oxygen vacancies by creating the heterointerface between LSCO and LNO.

25 ENERGY STORAGE↗
NASA NTRS1992

Angular distributions of 5eV atomic oxygen scattered from solid surfaces on the LDEF satellite

The angular distribution of 5eV atomic oxygen scattered off several smooth solid surfaces was measured by experiment A0114 which flew on board the Long Duration Exposure Facility (LDEF). Target surfaces were silver, vitreous carbon, and lithium fluoride crystal. The apparatus was entirely passive. It used the property of silver surfaces to absorb oxygen atoms with high efficiency; the silver is converted to optically transmissive silver oxide. A collimated beam of oxygen atoms is allowed to fall on the target surface at some pre-set angle. Reflected atoms are then intercepted by a silver film placed so that it subtends a considerable solid angle from the primary beam impact on the target surface. The silver films are evaporated onto flexible optically-clear polycarbonate sheets which are scanned later to determine oxygen uptake. While the silver detector cannot measure atom velocity or energy, its physical configuration allows easy coverage of large angular space both in the beam-plane (that which includes the incident beam and the surface normal), and in the azimuthal plane of the target surface.

Gregory, John C.↗
NASA NTRS2021

A Comparison of Multi-Angle Implementation of Atmospheric Correction and MOD09 Daily Surface Reflectance Products from MODIS

This study presents the first systematic comparison of MAIAC Collection 6 MCD19A1 daily surface reflectance (SR) product with standard MODIS SR (MOD/MYD09). The study was limited to four tiles located in mid-Atlantic United States (H11V05), Canada (H12V03),central Amazon (H11V09), and North-Eastern China (H27V05) and used over 5000 MODIS granules in 2018. Overall, there is a remarkable agreement between the best quality pixels of the two products, in particular in the Red and NIR bands. Over selected tiles, the evaluation found that MAIAC provides from 4 to 25% more high-quality retrievals thanMOD09 annually, with the largest difference in tropical regions, confirming results of the previous studies. The comparison of spectral characteristics showed a systematic MAIAC-MOD09 difference increasing from NIR to Blue, typical of biases of a Lambertian assumption in MOD09 algorithm. Over the North-Eastern China, MCD19A1 SR is found more stable at wide range of aerosol optical depth (AOD) variations, whereasMOD09 SR shows a consistent positive bias increasing with AOD and at shorter wavelengths. The observed SR differences can be attributed to differences in cloud detection, aerosol retrieval and in atmospheric correction which is performed using an accurate BRDF-coupled radiative transfer model in MAIAC and a Lambertian surface model in MOD09. While this study is not representative of the global performance because of its limited geographical coverage, it should help the land community to better understand the differences between the two products.

MAIAC↗
DOE OSTI2022

Elucidation of the Roles of Water on the Reactivity of Surface Intermediates in Carboxylic Acid Ketonization on TiO 2

The effects of water on the carboxylic acid ketonization reaction over solid Lewis-acid catalysts were examined by nuclear magnetic resonance (NMR) spectroscopy, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), temperature-programmed desorption (TPD), and kinetic measurements. Acetic acid and propanoic acid were used as model compounds, and P25 TiO 2 was used as a model catalyst to represent the anatase TiO 2 since the rutile phase only contributes to <2.5% of the overall ketonization activity of P25 TiO 2 . The kinetic measurement showed that introducing H 2 O vapor in gaseous feed decreases the ketonization reaction rate by increasing the intrinsic activation barrier of gas-phase acetic acid on anatase TiO 2 . Quantitative TPD of acetic acid indicated that H 2 O does not compete with acetic acid for Lewis sites. Instead, as indicated by combined approaches of NMR and DRIFTS, H 2 O associates with the adsorbed acetate or acetic acid intermediates on the catalyst surface and alters their reactivities for the ketonization reaction. There are multiple species present on the anatase TiO 2 surface upon carboxylic acid adsorption, including molecular carboxylic acid, monodentate carboxylate, and chelating/bridging bidentate carboxylates. The presence of H 2 O vapor increases the coverage of the less reactive bridging bidentate carboxylate associated with adsorbed H 2 O, leading to lower ketonization activity on hydrated anatase TiO 2 . In conclusion, surface hydroxyl groups, which are consumed by interaction with carboxylic acid upon the formation of surface acetate species, do not impact the ketonization reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗