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Inorganic separator technology program

Testing and failure analyses of silver zinc cells with largely inorganic separators were performed. The results showed that the wet stand and cycle life objective of the silver-zinc cell development program were essentially accomplished and led to recommendations for cell composition, design, and operation that should yield further improvement in wet and cycle life. A series of advanced inorganic materials was successfully developed and formulated into rigid and semiflexible separator samples. Suitable screening tests for evaluation of largely inorganic separators were selected and modified for application to the separator materials. The results showed that many of these formulations are potentially superior to previously used materials and permitted selection of three promising materials for further evaluation in silver-zinc cells.

Smatko, J. S.↗

Metallurgical Evaluations of Depainting Processes on Aluminum Substrate

In December 1993, the Environmental Protection Agency (EPA) Emission Standards Division and the National Aeronautics and Space Administration's (NASA's) Marshall Space Flight Center (MSFC) signed an Interagency Agreement (IA) initiating a task force for the technical assessment of alternative technologies for aerospace depainting operations. The United States Air Force (USAF) joined the task force in 1994. The mandates of the task force were: (1) To identify available alternative depainting systems that do not rely on methylene chloride or other ozone-depleting, chlorinated, and volatile organic carbon solvents. (2) To determine the viability, applicability, and pollution prevention potential of each identified alternative. (3) To address issues of safety, environmental impact, reliability, and maintainability. Through a Technical Implementation Committee (TIC), the task force selected and evaluated eight alternative paint stripping technologies: chemical stripping, carbon dioxide (CO2) blasting, xenon flashlamp and CO2 coatings removal (FLASHJET(R)), CO2 laser stripping, plastic media blasting (PMB), sodium bicarbonate wet stripping, high-pressure water blasting (WaterJet), and wheat starch abrasive blasting (Enviro-Strip(R)). (The CO2 blasting study was discontinued after the first depainting sequence.) This final report presents the results of the Joint EPA/NASA/USAF Interagency Depainting Study. Significant topics include: (1) Final depainting sequence data for the chemical stripping, PMB, sodium bicarbonate wet stripping, and WaterJet processes. (2) Strip rates for all eight technologies. (3) Sequential comparisons of surface roughness measurements for the seven viable depainting technologies. (4) Chronological reviews of and lessons learned in the conduct of all eight technologies. (5) An analysis of the surface roughness trends for each of the seven technologies. (6) Metallurgic evaluations of panels Summaries of corrosion and hydrogen embrittlement evaluations of chemical stripping panels, detailed descriptions of which appear in previous reports. Because the requirements for alternative systems are diverse, as are initial setup, training, and on-going operational considerations, this study does not recommend a particular product or process. Users of this study will draw their own conclusions from the data presented herein.

McGill, Preston↗

Fabrication Methods for Adaptive Deformable Mirrors

Previously, it was difficult to fabricate deformable mirrors made by piezoelectric actuators. This is because numerous actuators need to be precisely assembled to control the surface shape of the mirror. Two approaches have been developed. Both approaches begin by depositing a stack of piezoelectric films and electrodes over a silicon wafer substrate. In the first approach, the silicon wafer is removed initially by plasmabased reactive ion etching (RIE), and non-plasma dry etching with xenon difluoride (XeF2). In the second approach, the actuator film stack is immersed in a liquid such as deionized water. The adhesion between the actuator film stack and the substrate is relatively weak. Simply by seeping liquid between the film and the substrate, the actuator film stack is gently released from the substrate. The deformable mirror contains multiple piezoelectric membrane layers as well as multiple electrode layers (some are patterned and some are unpatterned). At the piezolectric layer, polyvinylidene fluoride (PVDF), or its co-polymer, poly(vinylidene fluoride trifluoroethylene P(VDF-TrFE) is used. The surface of the mirror is coated with a reflective coating. The actuator film stack is fabricated on silicon, or silicon on insulator (SOI) substrate, by repeatedly spin-coating the PVDF or P(VDFTrFE) solution and patterned metal (electrode) deposition. In the first approach, the actuator film stack is prepared on SOI substrate. Then, the thick silicon (typically 500-micron thick and called handle silicon) of the SOI wafer is etched by a deep reactive ion etching process tool (SF6-based plasma etching). This deep RIE stops at the middle SiO2 layer. The middle SiO2 layer is etched by either HF-based wet etching or dry plasma etch. The thin silicon layer (generally called a device layer) of SOI is removed by XeF2 dry etch. This XeF2 etch is very gentle and extremely selective, so the released mirror membrane is not damaged. It is possible to replace SOI with silicon substrate, but this will require tighter DRIE process control as well as generally longer and less efficient XeF2 etch. In the second approach, the actuator film stack is first constructed on a silicon wafer. It helps to use a polyimide intermediate layer such as Kapton because the adhesion between the polyimide and silicon is generally weak. A mirror mount ring is attached by using adhesive. Then, the assembly is partially submerged in liquid water. The water tends to seep between the actuator film stack and silicon substrate. As a result, the actuator membrane can be gently released from the silicon substrate. The actuator membrane is very flat because it is fixed to the mirror mount prior to the release. Deformable mirrors require extremely good surface optical quality. In the technology described here, the deformable mirror is fabricated on pristine substrates such as prime-grade silicon wafers. The deformable mirror is released by selectively removing the substrate. Therefore, the released deformable mirror surface replicates the optical quality of the underlying pristine substrate.

Toda, Risaku↗

Controlled generation of large volumes of atmospheric clouds in a ground-based environmental chamber

Atmospheric clouds were generated in a 23,000 cubic meter environmental chamber as the first step in a two part study on the effects of contaminants on cloud formation. The generation procedure was modeled on the terrestrial generation mechanism so that naturally occurring microphysics mechanisms were operative in the cloud generation process. Temperature, altitude, liquid water content, and convective updraft velocity could be selected independently over the range of terrestrially realizable clouds. To provide cloud stability, a cotton muslin cylinder 29.3 meters in diameter and 24.2 meters high was erected within the chamber and continuously wetted with water at precisely the same temperature as the cloud. The improved instrumentation which permitted fast, precise, and continual measurements of cloud temperature and liquid water content is described.

Hettel, H. J.↗

Solvent Processing and Ionic Liquid-Enabled Long-Range Vertical Ordering in Block Copolymer Films with Enhanced Film Stability

Rapid and reliable processing methods for forming ordered block copolymer (BCP) materials with low defect density in a thin film geometry are required for many nanotechnology applications. Vertically aligned BCP structures, in particular, have applications ranging from nanolithography for electronics and photonics to nanoporous membranes for water remediation and novel batteries for flexible electronics. However, the attainment of nearly complete vertical orientational order of the BCP ordered phase remains challenging. Solvent-based techniques, such as direct immersion annealing (DIA) and solvent vapor annealing (SVA), have immense potential for these applications of BCP films, as it allows for tuning of their thermodynamic, structural, and chain mobility driven kinetic properties. We first demonstrate that DIA, using a judicious choice of binary solvent mixtures along with a relatively hydrophobic ionic liquid (IL), induces the rapid vertical ordering in polystyrene-b-polymethylmethacrylate (PS-PMMA) block copolymer in lamellar films. The IL establishes synergy to the binary solvent mixture of toluene and heptane to 1 create a near-neutral solvent environment for attaining the vertical microstructure of the BCP. Next, we show that IL can suppress the de-wetting of the PS-PMMA films to achieve long-range order using SVA in cylindrical films for long annealing times. Both vertical and horizontal morphology is attained in these films by selecting different solvent environments. Furthermore, attaining enhanced vertical and horizontal BCP structure with long-range defect-free order by tuning solvent quality and using additives like IL can render them useful for many nanotech applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Substantial differences in soil viral community composition within and among four Northern California habitats

Abstract Viruses contribute to food web dynamics and nutrient cycles in diverse ecosystems, yet the biogeographical patterns that underlie these viral dynamics are poorly understood, particularly in soil. Here, we identified trends in soil viral community composition in relation to habitat, moisture content, and physical distance. We generated 30 soil viromes from four distinct habitats (wetlands, grasslands, woodlands, and chaparral) by selectively capturing virus-sized particles prior to DNA extraction, and we recovered 3432 unique viral ‘species’ (dsDNA vOTUs). Viral communities differed significantly by soil moisture content, with viral richness generally higher in wet compared to dry soil habitats. However, vOTUs were rarely shared between viromes, including replicates <10 m apart, suggesting that soil viruses may not disperse well and that future soil viral community sampling strategies may need to account for extreme community differences over small spatial scales. Of the 19% of vOTUs detected in more than one virome, 93% were from the same habitat and site, suggesting greater viral community similarity in closer proximity and under similar environmental conditions. Within-habitat differences indicate that extensive sampling would be required for rigorous cross-habitat comparisons, and results highlight emerging paradigms of high viral activity in wet soils and soil viral community spatial heterogeneity.

Durham, Devyn M.↗

Extrapolation Domains for Aggregating Environmental Outcomes from Local to Regional Levels

Billions of dollars are invested every year to run field experiments to quantify the response of crops to new technologies and associated environmental outcomes. Given the diversity of environments where crop production occurs, conducting these research studies without a robust framework for research site selection and upscaling results to larger spatial scales is inefficient. In this project, researchers from the University of Nebraska-Lincoln used their unique Technology Extrapolation Domains framework (TED) as a tool to guide the selection of experimental sites and as basis for aggregating and validating environmental outcomes from local to regional levels. In the present project, we first used the TED framework to evaluate the current distribution and area coverage of the current SMARTFARM sites. The purpose was to showcase how it is possible to use the TED framework to guide site selection and extrapolate results over space. Additionally, the original TED framework was expanded to account for other factors influencing environmental outcomes by inclusion of three additional variables: soil organic matter, soil texture, and topographic wetness index. The resulting expanded framework (TED-E) was validated using nitrogen (N) losses from corn in the United States as a case study. To do so, we used N balance as a proxy to N losses and we evaluated the capacity of the framework to explain variation in N balance across fields and across countries. We found that the TED-E has substantially higher predictive power than the original TED framework to explain spatial variation in N balance. However, improvements in predictive power with the TED-E tool come at the expense of a higher number of TEDs needed to achieve a given crop area coverage compared with the original TED framework. We conclude that the new TED-E framework can help aggregate and extrapolate environmental outcomes from research sites to regional levels and improve the visualization of their spatial patterns across the United States. An online version of the framework is available at: https://www.toolted.org/

54 ENVIRONMENTAL SCIENCES↗

Adhesive bonding of ion beam textured metals and fluoropolymers

An electron bombardment argon ion source was used to ion etch various metals and fluoropolymers. The metal and fluoropolymers were exposed to (0.5 to 1.0) keV Ar ions at ion current densities of (0.2 to 1.5) mA/sq cm for various exposure times. The resulting surface texture is in the form of needles or spires whose vertical dimensions may range from tenths to hundreds of micrometers, depending on the selection of beam energy, ion current density, and etch time. The bonding of textured surfaces is accomplished by ion beam texturing mating pieces of either metals or fluoropolymers and applying a bonding agent which wets in and around the microscopic cone-like structures. After bonding, both tensile and shear strength measurements were made on the samples. Also tested, for comparison's sake, were untextured and chemically etched fluoropolymers. The results of these measurements are presented.

Mirtich, M. J.↗

Scaling Evaluation of Ice-Crystal Icing on a Modern Turbofan Engine in PSL Using the COMDES-MELT Code

This paper presents preliminary ice-crystal icing (ICI) altitude scaling evaluation results of a Honeywell Uncertified Research Engine (HURE) that was tested in the NASA Glenn Research Center Propulsion Systems Laboratory (PSL) during January of 2018. This engine geometry features a hidden core design to keep the core less exposed. The engine was fitted with internal video cameras to observe various ice buildup processes at multiple selected locations within the engine core flow path covering the fan stator, the splitter-lip/shroud/strut, and the high pressure compressor (HPC) variable inlet guide vane (IGV) regions. The potential ice accretion risk was pre-determined to occur by using NASA’s in-house 1D Engine Icing Risk assessment code, COMDES-MELT. The code was successful in predicting the risk of ice accretion in adiabatic regions like the fan-stator of the HURE at specific engine operating points. However at several operating points during the test, liquid water was observed running along the shroud toward the variable IGV of the HPC regions with an air temperature well below freezing, thus no particle melting could have occurred due to heating from the air alone. It was reasoned that other sources of heat were present in that region. To account for these heat sources the inlet total temperature was adjusted to give a wet bulb temperature of 24 F below the standard minimum wet bulb temperature of 492 R to allow ice to accrete in the splitter-lip/shroud/strut region, which was determined from a reference case where hard ice was observed in that region. With that adjustment the COMDES-MELT code was successful in providing operating points where there was a risk of ice accretion during the test campaign. In addition to calculating possible conditions at different selected lower altitudes, simulations were run to determine potential inlet conditions that could lead to ice-crystal accretion along the prescribed stations where the cameras were available. From there, scaled test conditions were determined by best matching the following three icing related parameters of the reference condition: (1) the local air total wet bulb temperature, (2) the local ice crystal cloud melt ratio and (3) the engine fan face ice/water to air mass flux ratio of the ice crystal cloud. Instantaneous images taken from the time-lapsed movies of ice buildup were used along with the relevant thermodynamic data of air, water vapor and local icing condition to help evaluate how closely the proposed altitude scaling method could be used in ground based test facility to duplicate selected reference ICI features observed at specific location inside this engine at different scale altitudes. Discussions on observed limitation for engine icing scaling application from this test campaign and needed improvement are provided. A scaling test procedure to help identify potential ICI risk conditions and possible ice accretion locations of a new turbofan engine is evaluated in PSL.

Engine Testing in PSL↗

Data, model inputs, and analysis scripts associated with a manuscript on stream intermittency controls across spatial scales in Pacific Northwest watersheds

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript "Hydroclimatic Memory and Watershed Template Shape Stream Intermittency: Multi-scale Attribution Using Process-based Simulation and Explainable ML" by Niroula et al. (2026), submitted to Water Resources Research (WRR). The study investigates the dominant controls on stream intermittency across local, reach, and watershed scales using a coupled process-based simulation and explainable machine-learning framework. Long-term daily simulations from the Advanced Terrestrial Simulator (ATS) were used to generate wetness states and ponded-depth responses over river-corridor cells. These ATS outputs were then aggregated across scales and used to train XGBoost (eXtreme Gradient Boosting) models. SHAP (SHapley Additive exPlanations) was applied to quantify the relative importance of hydroclimatic forcings, watershed template attributes, and antecedent-memory effects in shaping intermittency behavior. The analysis is carried out for three contrasting Pacific Northwest watersheds: Oak Creek (OCW), American River Watershed (ARW), and H.J. Andrews (HJA). Across these testbeds, the package contains ATS-ready watershed inputs, ATS run configuration and selected output files, model-evaluation data products, intermittency-analysis datasets, machine-learning target-feature tables, SHAP outputs, and notebooks used to organize, analyze, and visualize results. At a high level, the package documents a workflow in which ATS provides the physically based simulation backbone and explainable machine learning is used as a post-processing attribution tool. The contents are intended to support interpretation of the manuscript figures and results, provide context for how intermittency metrics were generated at multiple scales, and preserve the key artifacts needed to understand and reuse the analysis workflow. The package contains a high-level directory summary file (`summary.txt`) and four main content folders (1) `evaluation_plots` contains evaluation figures and supporting evaluation datasets; (2) `intermittency_plots` contains intermittency-focused analysis notebook and prepared datasets; (3) `ml-training-and-shap_values_plots` contains ML training inputs, SHAP outputs, and figure-generation notebooks; and (4) `watershed_mesh_and_ats_input` contains ATS model setup materials, forcing inputs, geometry, and selected run files. More specifically, the `evaluation_plots` folder contains the notebook used for ATS evaluation plotting and site-specific evaluation datasets. These include evapotranspiration and water-balance products for three watersheds, as well as an Oak Creek field-measurement discharge file. The `intermittency_plots` folder contains the notebook used for intermittency analysis and the prepared datasets used to analyze intermittent and non-intermittent wetness behavior across the study watersheds. The `ml-training-and-shap_values_plots` folder contains notebooks and outputs for the machine-learning and explainability workflow. This includes the main XGBoost and SHAP notebook(s), a beeswarm plotting notebook, target-feature tables for machine-learning training, SHAP summary tables, and per-sample SHAP value archives. The `watershed_mesh_and_ats_input` folder contains ATS-related watershed inputs and supporting materials. This includes mesh and shape products, ATS-readable LAI and meteorological forcing inputs, selected ATS spinup and transient-run files, and a watershed workflow example notebook. Subdirectories are organized by watershed where applicable.All files are .cpg (codepage files), .csv (comma-separated values), .dbf (database files), .exo (Exodus mesh format), .h5 (HDF5 format), .ipynb (Jupyter notebooks), .pkl (Python pickle), .prj (projection files), .sh (shell scripts), .shp (shapefile geometry), .shx (shapefile index), .txt (text files), or .xml (markup data).

Advanced Terrestrial Simulator↗

Coreflood Tests to Evaluate Enhanced Oil Recovery Potential of Wettability-Altering Surfactants for Oil-Wet Heterogeneous Carbonate Reservoirs

Summary Oil-wetness and heterogeneity are two main factors that result in low oil recovery (OR) by waterflood in carbonate reservoirs. The injected water is likely to flow through high-permeability regions and bypass the oil in the low-permeability matrix. In this study, systematic coreflood tests were carried out in both “homogeneous” cores and “heterogeneous” cores with a wettability-altering surfactant. The homogeneous coreflood tests were conducted to evaluate surfactant retention, as well as to compare tertiary surfactant flooding with secondary surfactant flooding. The heterogeneous coreflood test was proposed to model bypassing in low-permeability matrix during waterfloods, and dynamic imbibition of surfactant into the low-permeability matrix. Surfactant retention results suggest that retention increases as initial oil saturation decreases. The retention of selected surfactant in the target reservoir cores was measured to be within a range of 0.07–0.12 mg/g-rock, which is economically acceptable. The results of homogeneous coreflood tests showed that both secondary waterflood and secondary surfactant flood can achieve high OR (>50%) from relatively homogeneous oil-wet cores. A shut-in phase after the surfactant injection resulted in a surge in oil production, which suggests that enough time should be given for wettability alteration by surfactants. The results of heterogeneous coreflood tests showed that more oil is bypassed in the tighter matrix by waterflood if the permeability is higher in the flooded layer and this bypassed oil is the target for the wettability-altering surfactant floods. Slow wettability-altering surfactant injection leads to imbibition into bypassed regions. When the oil-wet carbonate reservoirs have large unswept regions after waterflood, wettability-altering surfactants can significantly improve OR if enough time is given for imbibition.

Engineering↗

Using Artificial Soiling to Rank Anti-Soiling Coatings for Arid Climates

A simple method to evaluate (e.g., screen and rank) the performance of coatings that are fully or partially anti-soiling (AS) is lacking within the PV industry. Artificial soiling may be used as a rapid and economical assessment approach, offering an efficient alternative to time-intensive, site-specific field testing. In this study, we present an artificial soiling method to replicate the anti-soiling performance rankings of two groups of coated glass samples supplied by two manufacturers (group C with CA, CP, and CS coatings; group A with AC coating). These are compared to field aging in two climates: semi-arid Lemoore, California over 4 months, and the hot desert in Mesa, Arizona over 7 months. Both field and indoor performance ranking utilize the transmittance ratio, defined as the optical transmittance between a coated sample and an uncoated reference in each group, as an evaluation metric to assess the effectiveness of the artificial soiling approach in replicating field soiling. It is critical to mimic the dominant field meteorological conditions associated with soiling-prone days and vulnerable times of day during the soiling season. Our results reveal that the use of artificial soiling for field performance ranking among coatings strongly depends on the soil type (composition and particle distribution), dust surface density, and prevalent environmental factors (wetting saturation by humidity, dew condensation extent, and prior weathering history of the coating). The similar rank order relative to the field suggests that the artificial soiling approach presented may be used for down-selecting anti-soiling coatings prior to prolonged field validation.

14 SOLAR ENERGY↗

Assurance of lubricant supply in wet-lubricated space bearings

Conventional lubrication techniques appear to be satisfactory, but rigorous proof of meeting a ten-year life requirement is lacking. One approach provides additional lubricant only when commanded from ground control, while the other passively augments lubrication at all times. Each technique has specific advantages, and selection should be related to the application to obtain optimum performance.

Glassow, F. A.↗

Adhesive bonding of ion beam textured metals and fluoropolymers

An electron-bombardment argon ion source was used to ion-etch various metals and fluoropolymers. The metal and fluoropolymers were exposed to (0.5 to 1.0)-keV Ar ions at ion current densities of 0.2 to 1.5 mA/sq cm for various exposure times. The resulting surface texture is in the form of needles or spires whose vertical dimensions may range from tenths to hundreds of micrometers, depending on the selection of beam energy, ion current density, and etch time. The bonding of textured surfaces is accomplished by ion-beam texturing mating pieces of either metals or fluoropolymers and applying a bonding agent which wets in and around the microscopic conelike structures. After bonding, both tensile and shear strength measurements were made on the samples. Also tested, for comparison's sake, were untextured and chemically etched fluoropolymers. The results of these measurements are presented in this paper.

Mirtich, M. J.↗

Fiber Reinforced Composite Materials Used for Tankage

The Nonmetallic Materials and Processes Group is presently working on several projects to optimize cost while providing effect materials for the space program. One factor that must be considered is that these materials must meet certain weight requirements. Composites contribute greatly to this effort. Through the use of composites the cost of launching payloads into orbit will be reduced to one-tenth of the current cost. This research project involved composites used for aluminum pressure vessels. These tanks are used to store cryogenic liquids during flight. The tanks need some type of reinforcement. Steel was considered, but added too much weight. As a result, fiber was chosen. Presently, only carbon fibers with epoxy resin are wrapped around the vessels as a primary source of reinforcement. Carbon fibers are lightweight, yet high strength. The carbon fibers are wet wound onto the pressure vessels. This was done using the ENTEC Filament Winding Machine. It was thought that an additional layer of fiber would aid in reinforcement as well as containment and impact reduction. Kevlar was selected because it is light weight, but five times stronger that steel. This is the same fiber that is used to make bullet-proof vests trampolines, and tennis rackets.

Cunningham, Christy↗

Visible light to electrical energy conversion using photoelectrochemical cells

Sustained conversion of low energy visible or near i.r. light (>1.25 eV) to electrical energy has been obtained using wet photoelectrochemical cells where there are no net chemical changes in the system. Stabilization of n-type semi-conductor anodes of CdS, CdSe, CdTe, GaP, GaAs and InP to photoanodic dissolution is achieved by employing selected alkaline solutions of Na.sub.2 S, Na.sub.2 S/S, Na.sub.2 Se, Na.sub.2 Se/Se, Na.sub.2 Te and Na.sub.2 Te/Te as the electrolyte. The oxidation of (poly) sulfide, (poly)selenide or (poly)telluride species occurs at the irradiated anode, and reduction of polysulfide, polyselenide or polytelluride species occurs at the dark Pt cathode of the photoelectrochemical cell. Optical to electrical energy conversion efficiencies approaching 15% at selected frequencies have been observed in some cells. The wavelength for the onset of photocurrent corresponds to the band gap of the particular anode material used in the cell.

Wrighton, Mark S.↗

Fabrication and Characterization of Iron-Based Catalysts for the Dehydrogenation of Fossil Fuels

For a prosperous and sustainable future, hydrogen is an encouraging solution due to its simple transition for industrial decarbonization and synergy for economic development. Paradoxically, current hydrogen production pathways release substantial amount of greenhouse gases into the atmosphere contributing to climate change. To keep up with increasing demand, hydrogen could be produced through microwave-assisted thermocatalytic dehydrogenation of fossil fuels without emitting carbon dioxide. This requires specified catalysts to meet the requirements of hydrogen yield and selectivity. The objective of the present research is to fabricate, characterize, and compare iron-based alumina (FeAlxOy) catalysts produced via solution combustion synthesis and iron-based catalysts on silicon carbide support (Fe/SiC) produced via incipient wetness impregnation. Heat mode, fuel type, and oxidizer mole ratio were varied for FeAlxOy catalysts, and metal loading was varied for Fe/SiC catalysts. Each resultant product was characterized by X-ray diffraction analysis, scanning electron microscopy, laser diffraction particle size analysis, and Brunauer-Emmett-Teller (BET) surface area analysis. Characterization suggests that fabrication of iron-based alumina nanocomposites through solution combustion synthesis in a muffle furnace using citric acid as the fuel yields the most promising catalyst.

Reyes, Victoria Isabel↗

Understanding the Hydrogeochemical Response of a Mountainous Watershed Using Integrated Surface‐Subsurface Flow and Reactive Transport Modeling

Abstract Climate change and other disturbances significantly impact hydrogeochemical exports from mountainous headwater catchments such as the Upper Colorado River Basin. Developing a mechanistic understanding of how the physical and chemical processes interact in time and space in an integrated manner is key to quantifying the future impacts of such disturbances. The hydrogeochemical response of a mountainous catchment in the 2010–2019 period is evaluated quantitatively using a high‐resolution model that simulates integrated hydrology, and transport and reactions for selected solutes and minerals. The model assumes that pyrite is present only at depth while calcite is distributed uniformly, and captures the observed C‐Q reasonably well. Distinct C‐Q dynamics are observed in an average (WY16), a wet (WY17), and a dry (WY18) water year. The model also quantifies the water fraction from surface, shallow and deep groundwater compartments using tracers, and suggests greater groundwater contributions to peak stream discharge in the dry WY18. Results demonstrate that calcium concentrations do not change significantly from year to year, while sulfate shows significant temporal variability. Pyrite dissolution is affected by the changing hydrological drivers where it is enhanced in the dry WY18; calcite dissolution supplements calcium dilution under high flow conditions. The model simulates the reaction hotspots controlled by hydrological conditions, and the spatially‐resolved results show that higher soil saturation and less snowpack occur earlier on the south‐facing side than on the north‐facing side. This is a first‐of‐its‐kind demonstration of a model that integrates hydrologic processes, including evapotranspiration, and reactive transport to enable a predictive understanding of hydrogeochemical exports.

54 ENVIRONMENTAL SCIENCES↗