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At least 847 records · Page 47

Ethane Dehydrogenation on Single and Dual Centers of Ga-modified γ-Al 2 O 3

Density-functional theory calculations and microkinetic analysis are used to investigate the efficacy of Ga-modified γ-Al 2 O 3 (110) surfaces for the catalytic dehydrogenation of ethane and elucidate the synergy between Ga and Al sites. The model surfaces are modified by either Ga grafting or doping. We consider and analyze numerous active sites and rank them using microkinetic analysis. The kinetic parameters obtained from microkinetic modelling are compared with experimental values for ethane dehydrogenation over Ga 2 O 3 -Al 2 O 3 mixed oxides prepared by co-precipitation. The dominant reaction pathway proceeds via heterolytic C-H bond dissociation to a surface proton and a metal-carbanion intermediate that undergoes β-hydride elimination. We find that grafted Ga sites are catalytically inactive. In contrast, Ga-doped sites exhibit fivefold enhancement in catalytic activity when compared to the sites on pristine Al 2 O 3 , owed to the synergy between neighboring AlIII and GaIV sites. Furthermore, we model and investigate the effect of surface hydroxylation, demonstrate how surface water interferes with the aforementioned synergy between AlIII and GaIV sites and discuss the implications for the catalytic activity of the modified surfaces. Here, an increase in the partial pressure of H 2 O significantly increases the apparent activation energies of dehydrogenation and interestingly changes the most active site.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Some confusion factors in radar image interpretation

Geologic interpretation of radar imagery for land use applications is discussed with reference to its dependence on classification of the radar return into categories related to some training area within the image. It is shown that such interpretation relies on the assumption that surface characteristics of areas with similar returns are truly similar. It is further shown that this may not always be true over water surfaces due to the influence of system parameters on the radar return. In imagery over land, both system parameters and scene parameters may lead to ambiguous returns which can ultimately lead to misinterpretation.

Blanchard, B. J.↗

Short-Term Retrospective Land Data Assimilation Schemes

Subsurface moisture and temperature and snow/ice stores exhibit persistence on various time scales that has important implications for the extended prediction of climatic and hydrologic extremes. Hence, to improve their specification of the land surface, many numerical weather prediction (NWP) centers have incorporated complex land surface schemes in their forecast models. However, because land storages are integrated states, errors in NWP forcing accumulates in these stores, which leads to incorrect surface water and energy partitioning. This has motivated the development of Land Data Assimilation Schemes (LDAS) that can be used to constrain NWP surface storages. An LDAS is an uncoupled land surface scheme that is forced primarily by observations, and is therefore less affected by NWP forcing biases. The implementation of an LDAS also provides the opportunity to correct the model's trajectory using remotely-sensed observations of soil temperature, soil moisture, and snow using data assimilation methods. The inclusion of data assimilation in LDAS will greatly increase its predictive capacity, as well as provide high-quality land surface assimilated data.

Houser, P. R.↗

Calibration of Two-dimensional Floodplain Modeling in the Atchafalaya River Basin Using SAR Interferometry

Two-dimensional (2D) satellite imagery has been increasingly employed to improve prediction of floodplain inundation models. However, most focus has been on validation of inundation extent, with little attention on the 2D spatial variations of water elevation and slope. The availability of high resolution Interferometric Synthetic Aperture Radar (InSAR) imagery offers unprecedented opportunity for quantitative validation of surface water heights and slopes derived from 2D hydrodynamic models. In this study, the LISFLOOD-ACC hydrodynamic model is applied to the central Atchafalaya River Basin, Louisiana, during high flows typical of spring floods in the Mississippi Delta region, for the purpose of demonstrating the utility of InSAR in coupled 1D/2D model calibration. Two calibration schemes focusing on Manning s roughness are compared. First, the model is calibrated in terms of water elevations at a single in situ gage during a 62 day simulation period from 1 April 2008 to 1 June 2008. Second, the model is calibrated in terms of water elevation changes calculated from ALOS PALSAR interferometry during 46 days of the image acquisition interval from 16 April 2008 to 1 June 2009. The best-fit models show that the mean absolute errors are 3.8 cm for a single in situ gage calibration and 5.7 cm/46 days for InSAR water level calibration. The optimum values of Manning's roughness coefficients are 0.024/0.10 for the channel/floodplain, respectively, using a single in situ gage, and 0.028/0.10 for channel/floodplain the using SAR. Based on the calibrated water elevation changes, daily storage changes within the size of approx 230 sq km of the model area are also calculated to be of the order of 107 cubic m/day during high water of the modeled period. This study demonstrates the feasibility of SAR interferometry to support 2D hydrodynamic model calibration and as a tool for improved understanding of complex floodplain hydrodynamics

Hahn Chul Jung↗

Impact of Surface Albedo Assimilation on Snow Estimation

Surface albedo has a significant impact in determining the amount of available net radiation at the surface and the evolution of surface water and energy budget components. The snow accumulation and timing of melt, in particular, are directly impacted by the changes in land surface albedo. This study presents an evaluation of the impact of assimilating Moderate Resolution Imaging Spectroradiometer (MODIS)-based surface albedo estimates in the Noah multi-parameterization (Noah-MP) land surface model, over the continental US during the time period from 2000 to 2017. The evaluation of simulated snow depth and snow cover fields show that significant improvements from data assimilation (DA) are obtained over the High Plains and parts of the Rocky Mountains. Earlier snowmelt and reduced agreements with reference snow depth measurements, primarily over the Northeast US, are also observed due to albedo DA. Most improvements from assimilation are observed over locations with moderate vegetation and lower elevation. The aggregate impact on evapotranspiration and runoff from assimilation is found to be marginal. This study also evaluates the relative and joint utility of assimilating fractional snow cover and surface albedo measurements. Relative to surface albedo assimilation, fractional snow cover assimilation is found to provide smaller improvements in the simulated snow depth fields. The configuration that jointly assimilates surface albedo and fractional snow cover measurements is found to provide the most beneficial improvements compared to the univariate DA configurations for surface albedo or fractional snow cover. Overall, the study also points to the need for improving the albedo formulations in land surface models and the incorporation of observational uncertainties within albedo DA configurations.

surface albedo↗

Beam-water Interaction System for PFAS Treatment

Per- and polyfluoroalkyl substances (PFAS) are persistent environmental contaminants that resist conventional water treatment due to the strength of their carbon fluorine bonds. Electron-beam irradiation has shown potential for PFAS degradation; however, its effectiveness is limited by shallow energy penetration, restricting treatment to the upper region of the water surface. This project addresses this limitation through the design of a compact mixing chamber and recirculation system to enhance surface renewal and improve treatment efficiency. The system, constrained to approximately 10 cm 20 cm 20 cm, was developed using computer-aided design, computational fluid dynamics (CFD), and MATLAB-based hydraulic analysis to evaluate flow behavior, head loss, and pump compatibility. A perforated-baffle geometry and controlled flow range of 1 3 GPM were implemented to promote uniform mixing while maintaining a stable free surface for electron-beam exposure. Modeling results indicate improved flow distribution and reduced dead zones, supporting more consistent interaction between contaminated water and the beam. The final design enhances hydrodynamic performance within system constraints, contributing to scalable electron-beam water treatment technologies for improved PFAS degradation.

Ramos, Gerardo [Northern Illinois U.]↗

Isotopic fractionation accompanying CO 2 hydroxylation and carbonate precipitation from high pH waters at The Cedars, California, USA

The Cedars ultramafic block hosts alkaline springs (pH > 11) in which calcium carbonate forms upon uptake of atmospheric CO 2 and at times via mixing with surface water. Here, these processes lead to distinct carbonate morphologies with “floes” forming at the atmosphere-water interface, “snow” of fine particles accumulating at the bottom of pools and terraced constructions of travertine. Floe material is mainly composed of aragonite needles despite CaCO 3 precipitation occurring in waters with low Mg/Ca (<0.01). Precipitation of aragonite is likely promoted by the high pH (11.5–12.0) of pool waters, in agreement with published experiments illustrating the effect of pH on calcium carbonate polymorph selection.

58 GEOSCIENCES↗

AIMD simulations of water over transition metal surfaces

AIMD simulations of water molecules over (111) surfaces of Ag, Au, Cu, Pt, Pd, and Rh, (211) and (100) surfaces of Ag, Au, Cu, and Pt, and (0001) surface of Ru. Data used for analysis in "OH binding energy as a universal descriptor of the potential of zero charge on transition metal surfaces," which can be found on ChemRxiv with DOI 10.26434/chemrxiv-2021-dkb6l.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Preliminary Analysis of a Water Shield for a Surface Power Reactor

A water based shielding system is being investigated for use on initial lunar surface power systems. The use of water may lower overall cost (as compared to development cost for other materials) and simplify operations in the setup and handling. The thermal hydraulic performance of the shield is of significant interest. The mechanism for transferring heat through the shield is natural convection. A simple 1-D thermal model indicates the necessity of natural convection to maintain acceptable temperatures and pressures in the water shield. CFD analysis is done to quantify the natural convection in the shield, and predicts sufficient natural convection to transfer heat through the shield with small temperature gradients. A test program will he designed to experimentally verify the thermal hydraulic performance of the shield, and to anchor the CFD models to experimental results.

Pearson, J. Boise↗

A study of temporal estaurine flow dynamics

Multispectral photography,infrared imagery, image enhancement, and oceanographic, radiometric, and meteorological data were used in the study of temporal estuarine flow dynamics, nearshore circulation, and the resulting dispersal of suspended and dissolved substances introduced from the continent. Repetitive multispectral photography, IR imagery, total radiance and irradiance, water surface temperatures, salinity, total suspended solids, visibility, current velocity, winds, dye implants, and high contrast image enhancement were used to observe and describe water mass boundaries in the nearshore zone and to attempt to establish on what repetitive scale these coastal features should be observed to better understand their behavior. Water mass variability patterns, seen naturally and with the use of dyes, along the North Carolina coast and in the Chesapeake Bay are being studied as synoptic data on the basic dynamics of circulation, flushing, and mixing in coastal waters.

Mairs, R. L.↗

Thermal Pollution Mathematical Model: Verification of Three-Dimensional Free-Surface Model at Anclote Anchorage - Volume 6

The free-surface model presented is for tidal estuaries and coastal regions where ambient tidal forces play an important role in the dispersal of heated water. The model is time dependent, three dimensional, and can handle irregular bottom topography. The vertical stretching coordinate is adopted for better treatment of kinematic condition at the water surface. The results include surface elevation, velocity, and temperature. The model was verified at the Anclote Anchorage site of Florida Power Company. Two data bases at four tidal stages for winter and summer conditions were used to verify the model. Differences between measured and predicted temperatures are on an average of less than 1 C.

Lee, S. S.↗

Factors influencing the marine boundary layer during a cold-air outbreak

The model for the cloud-topped marine boundary layer during a cold air outbreak developed by Stage and Businger (1981a) is used in conjunction with a test profile based on a fall outbreak episode over Lake Ontario to study factors influencing marine boundary-layer evolution. Sensitivity tests are done which show changes in layer evolution resulting from variation of wind speed, radiative sky temperature, water surface temperature, humidity of the shoreline sounding and divergence. The behavior of the layer in the presence of a region of cold-water upwelling near the shore is also investigated. It is found that the main effect of the upwelling region is to delay modification of the boundary-layer air.

Stage, S. A.↗

An improved long range potential for O(1D)+H2

Several dynamics studies have indicated that the product isotopic distributions and vibrational energy distributions in the reaction O(1D) + H2(HD) are very sensitive to the long range interaction of the reactants. In this paper, an improved calculation of the reactant region of the potential energy surface is reported. In agreement with previous work, no barrier is found to edge-on insertion (1 A-prime ground state water surface), but a smaller (less than 0.2 kcal/mol) barrier to collinear addition, 1 Sigma (+) surface, is found than in previous work. The long range potential obtained in the present work most closely resembles the SL3 surface.

Walch, Stephen P.↗

Regional scale hydrology with a new land surface processes model

Through the CaPE Hydrometeorology Project, we have developed an understanding of some of the unique data quality issues involved in assimilating data of disparate types for regional-scale hydrologic modeling within a GIS framework. Among others, the issues addressed here include the development of adequate validation of the surface water budget, implementation of the STATSGO soil data set, and implementation of a remote sensing-derived landcover data set to account for surface heterogeneity. A model of land surface processes has been developed and used in studies of the sensitivity of surface fluxes and runoff to soil and landcover characterization. Results of these experiments have raised many questions about how to treat the scale-dependence of land surface-atmosphere interactions on spatial and temporal variability. In light of these questions, additional modifications are being considered for the Marshall Land Surface Processes Model. It is anticipated that these techniques can be tested and applied in conjunction with GCIP activities over regional scales.

Laymon, Charles↗

Advances in Land Data Assimilation Systems

Assimilation of remotely sensed land surface observations into regional to global scale numerical models have the potential to significantly advance our ability, to assess, understand, and predict surface water, energy, and carbon cycles. This session seeks to assess the state-of-the-art in data assimilation methods for integrating land surface remote sensing and modeling, with a focus on practical applications and techniques. Assimilated land surface variables of interest include (but are not limited to, soil moisture, surface temperature, snowpack, streamflow, vegetation dynamics, and carbon storage. Contributions describing the development of practical land surface data assimilation methods, multivariate land surface data assimilation strategies, evaluation of the required accuracy and resolution of remote sensing observations, the effects of scale, process complexity, and uncertainty on data assimilation, and the optimal treatment of model and observation errors are encouraged.

Houser, Paul R.↗

Effective Use Of Scatterometer Winds In Current and Future GMAO Reanalysis

Scatterometer-derived near-surface ocean vector wind retrievals provide global measurements complementary to the sparse conventional observing system which primarily consists of ships and buoys over water surfaces. The RapidScat instrument was flown on the International Space Station as a quick and low cost replacement of QuikScat and as a continuation of the NASA scatterometry data record. A unique characteristic of RapidScat was that it flew in a non-sun synchronous orbit at an inclination of 51.6 degrees. This orbit allowed for the collocation of measurements with other scatterometers as well as an ability to sample diurnal signals. In the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2) reanalysis, the scatterometry record began with the ESA European Remote Sensing (ERS) scatterometer on 5 Aug 1991 and continued through today with the EUMETSAT Metop Advanced Scatterometer (ASCAT). RapidScat, however, was not used in the MERRA-2 system as development had been completed prior to the beginning of its data record. In this presentation, the RapidScat ocean vector winds will be compared to MERRA-2, both in terms of the analysis fields and in the context of its global observing system, to assess the viability of using the data in future reanalysis systems developed by the Global Modeling and Assimilation Office (GMAO) at NASA Goddard Space Flight Center.

Chattopadhyay, Mohar↗

The Reactivity of Polyethylene Microplastics in Water under Low Oxygen Conditions Using Radiation Chemistry

Polyethylene (PE) is an intensely utilized polymer, which has consequently led to it becoming a common environmental contaminant. PE and other plastic waste are known to be highly persistent in surface waters; however, chemical and physical changes do take place over time, dependent mostly on highly variable natural conditions, such as oxygen (O2) availability. Gamma radiation was used to generate reactive oxygen species, namely hydroxyl radicals, in initially aerated aqueous solutions to simulate the natural weathering of microplastics in waters where there are fluctuations and often depletions in dissolved O2. The headspace of the irradiated PE-containing solutions was probed for the formation of degradation products using solid-phase microextraction (SPME) fibers in combination with gas chromatography mass spectrometry (GCMS). The major species detected were n-dodecane, with trace levels of tridecane, 2-dodecanone, and hexadecane, which were believed to be predominately adsorbed in the PE microplastics in excess of their aqueous solubility limits. Surface characterization by Raman spectroscopy and light and dark field microscopy indicated no change in the chemical composition of the irradiated PE microplastics under low O2 to anaerobic conditions. However, morphological changes were observed, indicating radical combination reactions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Western Sonoran Desert Water Resources: Evaluating Rock Pool Hydroperiod Fluctuation using Climate Variables to Inform Habitat Monitoring and Protection in the Western Sonoran Desert

Ephemeral freshwater rock pools, known as tinajas, have great biologic and cultural importance as sources of surface water in the western Sonoran Desert (WSD). Tinaja flooding and drying cycles, known as hydroperiods, vary based on meteorologic and climatologic conditions; however, a lack of extensive research relating climatic impacts to tinajas puts these critical ecosystems further at risk. The National Park Service (NPS) and the University of Arizona monitor the physical and ecological condition of tinajas in Organ Pipe Cactus National Monument (OPCNM), AZ, using resource-intensive strategies: in situ trail cameras and direct measurements. To aid monitoring efforts, the NASA DEVELOP team aimed to incorporate remote sensing into NPS strategies by analyzing spatiotemporal climate data and tinaja hydroperiods in OPCNM between 1979–2022. Using Aqua and Terra Moderate Resolution Imaging Spectroradiometers (MODIS), University of Idaho Gridded Surface Meteorological Dataset (gridMET), and OpenET data, the team generated climatology maps and time series for OPCNM. The team compared these data to daily in situ hydroperiod observations from the University of Arizona between 2019–2022. Climate maps and time series showed increases in temperature and solar radiation (p<0.05), while analyses of in situ data showed correlations of hydroperiods with precipitation and evapotranspiration. End products identified high-risk tinajas and demonstrated that Earth observations can successfully be correlated with in situ hydroperiod observations. These results will support NPS efforts to prioritize water resource management and inform protocols driving the conservation of tinajas in OPCNM.

Anne Britton↗