Search NASA⌕ Search

SEARCH · Search NASA

Results for “Space water systems”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Hydrogen Energy Storage Integrated with a Combined Cycle Plant

A project is being developed that will build upon the existing infrastructure and resources at the Intermountain Power Project (IPP) site to provide reliable, dispatchable energy and to support the transmission of renewable energy resources while transitioning to an economical green energy future. The concept study depicted in this report outlines a techno-economic optimization to fulfill the demand for 30% vol hydrogen co-firing in the IPP 840 MW advanced class combined cycle power plant. In an initial step, a site assessment concluded the site has sufficient land available to co-locate a hydrogen production and storage facility. The team evaluated and defined a scalable concept that considered technology characteristics, including input and output models to be used for optimization purposes. The concept for the hydrogen production and storage system integrates multiple technologies, to determine system size and scalable approach, for each of the technologies evaluated, the team defined component and subcomponent sizes, minimum and maximum capacity, modularity, component utility consumption (electric, water), component flexibility and servicing, layout, and technology status, as well as technology alternatives. For hydrogen generation, the project considers Siemens Energy’s Silyzer-300 (S300) technology, a 17.5 MW modular Proton Exchange Membrane (PEM) electrolyzer. For the S300 configuration, the team determined that three S300 arrays, or approximately 1,000 kg/hr, per block would yield a compact block design. This configuration results in a fairly wide and flexible arrangement that fits well into the spaces available at the site. Therefore, the overall design approach is based on multiple identical blocks of 3 arrays to minimize engineering cost and optimize constructability. In parallel, a transmission screening study was conducted to determine any potential transmission constraints from the energy sources that could feed the hydrogen production equipment. The study results show that minimum transmission constraints would be encountered to deliver 400 MW renewable generation from southern California, or south-central Wyoming. At last, the techno-economic analysis concluded that a scenario that uses solar and wind power yields the lowest levelized cost of hydrogen (LCOH 2 ) production and the lowest cost per tonne of CO 2 reduced. In this optimized scenario, the hydrogen production plant was determined as 6,201 kg/hr and the hydrogen storage (underground cavern) was determined as 4,600 tonnes. The resulting capacity factor for the hydrogen production plant was 66.33% with 8,745 operating hours in one year. This techno-economic analysis provided various options for integrating hydrogen storage at the Intermountain Power Plant site to co-fire the CCPP units. The results provide insightful data about the magnitude of capacity needed and the economics of producing hydrogen and reducing CO 2 emissions.

08 HYDROGEN↗
DOE OSTI2024

Methodology for Exploring Water and Hydropower Operating Criteria That Simultaneously Improve Economic and Environmental Considerations

Despite the reliability and flexibility of hydropower, the operation of hydroelectric power plants may have significant impacts on the downstream river system, including its water stage, sediment transport, and water temperature, ultimately affecting the ecology. To address these challenges, there is a need to identify water scheduling patterns that improve both hydropower economics and the environment relative to current operations. This paper presents a new methodology to explore promising operational criteria/rules that can achieve such improvements. Typical environmental impact statements and relicensing processes generally perform detailed site-specific analyses of a few alternatives that focus on reservoir water release operating rules and their associated environmental impacts. In contrast, the methodology presented in this article uses a widely applicable approach that explores a much larger solution space. This large set of potential alternatives can be represented in a multidimensional space for which one axis represents the economic value and the other axis quantify individual environmental impacts (e.g., sediment transport and fish growth), and they are explored via two approaches: a Monte Carlo simulation that identifies “win–win” alternatives and a multi-objective optimization problem that identifies Pareto-optimal alternatives.

13 HYDRO ENERGY↗
DOE OSTI2023

Manipulation of self-organized multi-vortical states in active magnetic roller suspensions

Ensembles of active magnetic colloids demonstrate complex collective behavior and self-organization when driven out of equilibrium by external magnetic fields. The interplay between magnetic and hydrodynamic interactions often result in spontaneous self-assembly and the emergence of localized vortices in ensembles of ferromagnetic rollers. We report experimental and computational study of the self-organized multi-vortical state in ensembles of magnetic rollers under the imposed external confining potential realized by patterned substrates. We explore the behavior of the system on a substrate patterned with shallow wells ordered in a lattice with square symmetry and lattice spacing smaller than the wells’ diameter. Here we demonstrate, that ensembles of active magnetic rollers evolve in response to changes in the geometry of the confining lattice from a globally correlated state characterized by anti-ferromagnetic vortex ordering to a state with rapidly changing particle flows and self-organized vortical states with a lattice constant larger than one of the confining pattern. Our experimental observations are accompanied by numerical simulations based on phenomenological coarse grained particle dynamics coupled to Navier–Stokes hydrodynamics in shallow water approximation. The reported results provide insights into the collective behavior of active magnetic rollers under confinement and suggest strategies for the manipulation of collective dynamic states in active magnetic liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Solution Structure and Hydration Forces between Mica and Hydrophilic Versus Hydrophobic Surfaces

Solid-liquid interfaces are central to a range of interesting phenomena including catalysis, heterogeneous nucleation, water desalination, and biomolecular assembly. While three-dimensional Fast Force Mapping (3D FFM) has emerged as a technique for resolving interfacial solution structure at the molecular scale, key challenges for data interpretation persist, most notably regarding the influence of the probe on the measured structure. Using the mica-water system as a case study, we investigate the effect of hydrophilic and hydrophobic probes on interfacial solution structure measured by 3D FFM. Data from hydrophilic silicon-based probes are in good agreement with molecular dynamics simulations, wherein the innermost water molecules adsorb preferentially at the surface ditrigonal cavity sites followed by two subsequent hydration layers. In contrast, the hydrophobic carbon-based probes detect vertical oscillatory features, but do not show lateral patterning that matches the underlying mica lattice. At high ionic strength, up to six of these oscillatory features are observed extending 2 nm into the solution phase with an average spacing of 0.29 ± (0.04) nm. Further, we also determine that the repulsive hydration force between mica and the hydrophilic probe depends on the nature and concentration of ions in solution. Specifically, solutions with stronger ion-water and ion-ion interactions increase the interfacial viscosity, which results in a stronger repulsive hydration force as the probe approaches the surface. Based on these observations, we present a scheme for controlling the outcomes of particle attachment and aggregation by varying the solution conditions to tune the hydration force.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Isolating the Electrocatalytic Activity of a Confined NiFe Motif within Zirconium Phosphate

Unique classes of active-site motifs are needed for improved electrocatalysis. Herein, the activity of a new catalyst motif is engineered and isolated for the oxygen evolution reaction (OER) created by nickel–iron transition metal electrocatalysts confined within a layered zirconium phosphate matrix. It is found that with optimal intercalation, confined NiFe catalysts have an order of magnitude improved mass activity compared to more conventional surface-adsorbed systems in 0.1 m KOH. Interestingly, the confined environments within the layered structure also stabilize Fe-rich compositions (90%) with exceptional mass activity compared to known Fe-rich OER catalysts. Through controls and by grafting inert molecules to the outer surface, it is evidenced that the intercalated Ni/Fe species stay within the interlayer during catalysis and serve as the active site. After determining a possible structure (wycherproofite), density functional theory is shown to correlate with the observed experimental compositional trends. It is further demonstrated that the improved activity of this motif is correlated to the Fe and water content/composition within the confined space. This work highlights the catalytic enhancement possibilities available through zirconium phosphate and isolates the activity from the intercalated species versus surface/edge ones, thus opening new avenues to develop and understand catalysts within unique nanoscale chemical environments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Informing electrification strategies of residential neighborhoods with urban building energy modeling

Electrifying end uses is a key strategy to reducing GHG emissions in buildings. However, it may increase peak electricity demand that triggers the need to upgrade the existing power distribution system, leading to delays in electrification and needs of significant investment. There is also concern that building electrification may cause an increase of energy costs, leading to further energy burden for low-income communities. This study uses the urban scale building modeling tool CityBES to assess the electrification impacts of more than 43,000 residential buildings in a neighborhood of Portland, Oregon, USA. Energy efficiency upgrades were investigated on their potential to mitigate the increase of peak electricity demand and energy burden. Simulation results from the calibrated EnergyPlus models show that electrification with heat pumps for space heating and cooling as well as for domestic water heating can reduce CO2e emissions by 38%, but increase peak electricity demand by about 9% from the baseline building stock. Combining electrification measures and energy efficiency upgrades can reduce CO2e emissions by 48% while reducing peak electricity demand by 6% and saving the median household energy costs by 28%. City and utility decision makers should consider integrating energy efficiency upgrades with electrification measures as an effective residential building electrification strategy, which significantly reduces carbon emissions, caps or even decreases peak demand while reducing energy burden of residents.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Emergent Behavior at the Calcite–Water Interface during Reactive Transport in a Simple Microfluidic Channel

Geochemical reactive transport processes in natural mineral-fluid systems may produce a wide array of emergent phenomena that are difficult to predict from basic principles and to reproduce in model systems. In this study, we present experimental results obtained from a simple microfluidic system with which we explored the consequences of reacting the calcite (104) cleavage surface with an acidic Pb-bearing solution (pH = 3.5, [Pb] total = 5 mM) as a function of flow rate. This system is relevant to passive remediation systems for Pb-rich acid mine drainage. We observed periodic banding in the amounts of Pb sorption at flow velocities ≥ 926 μm s -1 , where the band spacing was spatially correlated with the amount of calcite dissolution and the development of micropyramidal topography on the calcite (104) surface. The equivalent coverage of Pb deposited in these Pb-rich bands was at least several monolayers per unit cell, yet there was no evidence for precipitation of any secondary Pb phase implying incorporation of Pb within the near-surface calcite lattice. We also observed spatial variations in nucleation and growth of euhedral secondary Pb-carbonate minerals hydrocerusite and cerussite at flow rates ≤ 278 μm s -1 ,. These findings demonstrate potential for exploiting the rich phenomenology afforded by the interplay among transport phenomena and chemical kinetics in experimental systems designed to yield deeper insights into geochemical self-organization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Yesterday’s extremes, today’s new normal: flood risk in the Kathmandu Valley, Nepal

Unplanned urban growth has left many cities increasingly vulnerable to extreme rainfall events, particularly in regions with inadequate drainage infrastructures and development encroaching on natural floodplains. Here, in this perspective paper, we examine the September 2024 floods that struck Central Nepal, triggered by a persistent low-pressure system and enhanced by converging moisture flows from the Arabian Sea and the Bay of Bengal which led to widespread catastrophic damage. In the Kathmandu Valley, floodwaters expanded to more than 2.5 times the bankfull water extent, causing significant damage to housing, transportation network, and critical infrastructure, displacing thousands of residents, and severely disrupting urban services. This event highlights the urgent need for improved flood management strategies that integrate both structural and non-structural measures into the infrastructure development. While early warning systems provided critical lead time, challenges remain in reducing forecasting uncertainties and improving communication across government agencies and with local communities. A forward-looking approach is essential, including probabilistic flood forecasting systems, sustainable floodplain management, risk-sensitive land use planning, climate- and disaster- resilient infrastructure development, and the integration of nature-based solutions like urban green and blue spaces to mitigate flood impacts. By involving local communities in planning and preparedness efforts, particularly through citizen science initiatives, and engagement with underserved and disadvantaged communities, Nepal can better adapt to the growing risks posed by extreme rainfall and urban flooding and enhance long-term disaster resilience in rapidly urbanizing areas like Kathmandu Valley.

Kathmandu Valley↗
DOE OSTI2019

Modeling assessment of storm surge in the Salish Sea

Here we present a modeling assessment of storm surge in the Salish Sea—a large and complex estuarine system in the Pacific Northwest that is exposed to extratropical cyclones. A method was developed to systematically identify storm surge events in the Salish Sea based on water level records at four representative tidal gauges in the Salish Sea. The maximum storm surge distribution in the Salish Sea was calculated based on model simulations of 34 major historical storm events from 1980 to 2016. The model simulations were validated by field observations of water level and velocity using a suite of model performance metrics. Model results suggest that the maximum storm surge in the Salish Sea is generally in the range of 0.8 m–1.03 m and is heterogeneous in space. The model results also show a strong north-south gradient with larger surge magnitudes occurring in the north that is primarily caused by the southerly wind in winter months. The sensitivity analysis of wind forcing suggested that storm surge in the Salish Sea is dominated by the remote surge from the Pacific Ocean, and the local wind contributes up to approximately 20% of the surge variability. This paper systematically elucidates storm surge characteristics and potential risk in the Salish Sea.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Improvement of two-phase closure models in CTF using Bayesian inference

Under the Consortium for Advanced Simulation of Light Water Reactors (CASL) program, extensive capabilities have been developed in CTF to analyze light-water reactors (LWRs) for normal operating conditions, departure from nucleate boiling (DNB), and system transients. However, further improvements are required in the modeling and simulation of boiling water reactors (BWRs), which is a focus of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In this work, CTF validation results were used to optimize selected modeling coefficients by calibrating to experimental data using a Bayesian inference approach. Here, calibration studies were conducted to improve (vapor) void fraction prediction without worsening the two-phase pressure drop prediction, as well as to improve the two-phase pressure drop prediction. Calibration was performed for interfacial drag and wall shear models. Surrogates were developed to alleviate the computational expense required for sampling the parameter space using Markov chain Monte Carlo (MCMC). An assessment performed with calibrated models demonstrated an improvement of CTF in its prediction of key parameters such as void fraction and two-phase pressure drop.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Dissolution of Fluoride Salts in Hanford Tank Waste

The Direct Feed High-Level Waste (DFHLW) strategy seeks to bypass the Hanford Waste Treatment and Immobilization Plant Pretreatment Facility while retaining some processing functions to maximize waste feed loading and minimize high-level waste (HLW) waste volume. The DFHLW flowsheet needs leaching, washing, and solids concentration operations either in new or existing tanks. The effectiveness and efficiency of sludge washing has a substantial impact on DST space, mission duration, and the evaporation and low-activity waste (LAW) treatment operations required by these large wash-water additions. One target species requiring washing is fluoride. The HLW glass composition limits for fluorine drive operations to dissolve fluoride-bearing salts into the LAW fraction and thereby maximize waste loading in HLW glass. The fluoride in many high-level wastes at Hanford is predominantly in the form of fluoride-salt precipitates: villiaumite (NaF), kogarkoite (Na 3 FSO 4 ), and natrophosphate (Na 7 F(PO 4 ) 2 ·19H 2 O). Fluoride produces melter off-gas that creates corrosion risk in the off-gas system piping, while the sulfate and phosphate in the fluoride double salts kogarkoite and natrophosphate can be detrimental to glass waste loading. Fluoride salts are sparingly soluble, with solubilities ranging from approximately 40 to 130 kg per kL of pure water, and the dissolution kinetics of the three fluoride salts are not well known. Unexpected delays in a tank dissolution process could be encountered as a result of the lack of information about dissolution rates. In addition, if the double salts show transient non-stoichiometric dissolution of fluoride versus phosphate or sulfate, unexpectedly high concentrations of one of these other constituents could be produced. Washington River Protection Solutions authorized Pacific Northwest National Laboratory to collect the available data for fluoride salt dissolution rate, provide a scoping estimate of dissolution time if possible, and identify gaps in the understanding and predictive capability for estimating dissolution time. Open literature and Hanford reports were reviewed to document, understand, and (where possible) evaluate limitations on fluoride salt equilibria and dissolution kinetics, including both mass transport and surface reaction rate. Scoping estimates of dissolution time were made for mass-transfer-controlled dissolution of spherical particles of fluoride salts suspended in liquid. This is not the only potential governing mechanism; dissolution could be substantially slower if the surface reaction rate (the rate of release of ions from the surface) is the controlling mechanism. When the minimum amount of water for complete dissolution is used and the slip velocity between the liquid and suspended particles is less than or equal to the terminal settling velocity, the estimated mass-transfer rates allow 0.1 mm particles of fluoride salt to dissolve in minutes at 25 °C in water containing no other dissolved salts. Much larger solids, such as the 6-mm chunks that have been seen in heels, could take a few hours to more than a week to dissolve. The actual dissolution times will depend strongly on the actual slip velocity, the extent of particle suspension, constraint by surface reaction rates, the ratio of solvent to solid, and the presence of common ions that shift the solubility equilibria to restrict dissolution of fluoride salts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Mooring System Cost Estimates for Wave Energy Farms in Shared Mooring Arrays

As wave energy converters (WECs) become more advanced and cost-efficient, so too must their mooring systems. A key question in the development plans for WECs is the cost of the mooring system, particularly for large wave farms. WEC devices deployed in a WEC farm array, where each device can be connected by shared mooring lines in various array layouts, have potential to reduce mooring system costs significantly. This paper presents the modeling and designing of mooring systems for large WEC arrays and the calculation of the cost of each mooring system to determine the change in cost as the number of WECs in a farm increases. A baseline mooring system for a single floating oscillating water column (OWC) WEC was developed for this analysis. The mooring system utilizes four anchored mooring lines connected to a square assembly of wire rope mooring lines, supported by four floating buoys, and attached to the floating WEC by four polyester rope mooring lines. This assembly, referred to as a floating cell, can be tiled to form various rectangular WEC arrays. The objective of this analysis is to determine how the mooring system cost changes as more WECs are added to an array layout, each with their own interconnected floating cell. To do this, complete mooring systems need to be designed for each WEC array layout. To narrow down the design space of a WEC array mooring system, a couple assumptions were made. It was assumed that the floating cell parameters of the baseline design were to stay constant across all floating cells in the WEC array. It was also assumed that the anchored mooring lines would be of the baseline configuration, a predominantly chain mooring line with a short section of polyester rope near the fairlead, and a drag-embedment anchor. These anchored lines were assumed to extend from the outer edges of the WEC array, inline with the headings of the wire rope mooring lines of the floating cells, or diagonal if extending from a corner of the WEC array. Full mooring systems were designed for 2xN and NxN WEC array layouts and efficiently simulated in the mooring dynamics simulation tool, MoorDyn, to ensure all dynamic constraints were met. The system costs were calculated and then refined by shortening unnecessary chain line lengths and reducing the chain diameters of the downstream anchored mooring lines. It was found that, in general, mooring system costs per WEC decrease when WECs are installed in an array. Compared to the baseline mooring system for a single WEC, the 2x3 mooring system array had the lowest mooring system cost per WEC, reducing the cost per WEC by 59%. The 3x3 and 4x4 array mooring systems also saw significant reductions in cost per WEC but had negligible cost savings between the two designs, primarily because the larger 4x4 mooring system requires larger chain diameters, which increases cost. These results provide an interesting glimpse into modeling, designing, and calculating the cost of mooring systems for large WEC arrays.

cost↗
DOE OSTI2024

Anticipating how rain-on-snow events will change through the 21st century: lessons from the 1997 new year’s flood event

The California-Nevada 1997 New Year’s flood was an atmospheric river (AR)-driven rain-on-snow (RoS) event and remains the costliest in their history. The joint occurrence of saturated soils, rainfall, and snowmelt generated inundation throughout northern California-Nevada. Although AR RoS events are projected to occur more frequently with climate change, the warming sensitivity of their flood drivers across scales remains understudied. We leverage the regionally refined mesh capabilities of the Energy Exascale Earth System Model (RRM-E3SM) to recreate the 1997 New Year’s flood with horizontal grid spacings of 3.5 km across California, with forecast lead times of up to 4 days, and across six warming levels ranging from pre-industrial conditions to +3.5° C. We describe the sensitivity of the flood drivers to warming including AR duration and intensity, precipitation phase, intensity and efficiency, snowpack mass and energy changes, and runoff efficiency. Our findings indicate current levels of climate change negligibly influence the flood drivers. At warming levels ≥ 1.7° C, AR hazard potential increases, snowpack nonlinearly decreases, antecedent soil moisture decreases (except where the snowline retreats), and runoff decreases (except in the southern Sierra Nevada where antecedent snowpack persists). Storm total precipitation increases, but at rates below warming-induced increases in saturation-specific humidity. Warming intensifies short-duration, high-intensity rainfall, particularly where snowfall-to-rainfall transitions occur. This study highlights the nonlinear tradeoffs in 21st-century RoS flood hazards with warming and provides water management and infrastructure investment adaptation considerations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Simulating the Multi-epoch Direct Detection Technique to Isolate the Thermal Emission of the Non-transiting Hot Jupiter HD187123b

We report the 6.5σ detection of water from the hot Jupiter HD187123b with a Keplerian orbital velocity K {sub p} of 53 ± 13 km s{sup −1}. This high-confidence detection is made using a multi-epoch, high-resolution, cross-correlation technique, and corresponds to a planetary mass of 1.4{sub −0.3}{sup +0.5} M {sub J} and an orbital inclination of 21° ± 5°. The technique works by treating the planet/star system as a spectroscopic binary and obtaining high signal-to-noise, high-resolution observations at multiple points across the planet’s orbit to constrain the system’s binary dynamical motion. All together, seven epochs of Keck/NIRSPEC L-band observations were obtained, with five before the instrument upgrade and two after. Using high-resolution SCARLET planetary and PHOENIX stellar spectral models, we were able to drastically increase the confidence of the detection by running simulations that could reproduce, and thus remove, the nonrandom structured noise in the final likelihood space well. The ability to predict multi-epoch results will be extremely useful for furthering the technique. Here, we use these simulations to compare three different approaches to combining the cross correlations of high-resolution spectra and find that the Zucker log(L) approach is least affected by unwanted planet/star correlation for our HD187123 data set. Furthermore, we find that the same total signal-to-noise ratio (S/N) spread across an orbit in many, lower S/N epochs rather than fewer, higher S/N epochs could provide a more efficient detection. This work provides a necessary validation of multi-epoch simulations, which can be used to guide future observations and will be key to studying the atmospheres of farther separated, non-transiting exoplanets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Establishing a silica gel zone in well annulus and evaluating its performance in blocking vertical water flow

Wells are often constructed for monitoring purposes with relatively long screen lengths (e.g., >10 m). Vertical water flows can occur within the artificial or natural filterpack annulus that surrounds the screened interval, bypassing packer assemblies installed inside the wellbore. Attempts to isolate discrete vertical zones during groundwater sampling are unsuccessful when annular flow occurs and lead to remedy decisions based on biased or incorrect interpretations. Blocking vertical annular water flow and contaminant transport will help obtain more accurate concentrations of contaminants from sampling in targeted depth intervals. The application of silica gels formed from the injected colloidal silica CS suspensions is a novel approach to minimize or prevent movement of vertical movement of groundwater in the surrounding filterpack annulus. In this work, we tested the feasibility of injecting CS suspensions to target locations and developed a modified CS formulation that is injectable and prevents gravity sinking. We studied the distribution and penetration of silica gel at laboratory scale in mock well annulus with surrounding formations. We evaluated the performance of the silica gel in blocking vertical water flow in the annulus and in minimizing chemical transport through the gel zone. CS suspension formulations have been defined that are ready for injection, stay in target locations, and form gel within desired time frames. Injection of CS suspensions achieved uniform distribution in a well annulus filter pack, fully occupied the annulus pore space, and penetrated the formation surrounding the filter packer with a sufficient distance to create a hydraulic annular seal when the injection was applied at a sufficient rate. The depth of penetration into the formation was dependent on the permeability contrast between the filter pack and the surrounding formation. Silica gel that formed in the annulus blocked vertical water flow and stopped the chemical transport through the gel zone. In conclusion, this research reveals that using CS suspension injection and sequential gelation (CS-GEL) is a promising technology for blocking vertical water flow and chemical transport through the filter pack in targeted zones within the annulus of long-screened well systems.

Colloidal silica suspension↗
DOE OSTI2022

Characterizing Reaction Space in the Continuous-Flow Esterification of Oleic Acid Using a Sulfonated Hydrothermal Carbon Catalyst

Continuous-flow catalytic esterification of free fatty acids (FFA) with methanol in the presence of sulfonated hydrothermal carbon (SHTC) as catalyst was studied. Using a Box-Behnken experimental design protocol, the effects of residence time, methanol:acid molar ratio, and water concentration on the conversion of oleic acid into methyl oleate were investigated. The optimum conditions for achieving esterification greater than 90 % at 100 °C were determined to be 11-minute residence time, a MeOH:FFA molar ratio >14.6 and up to 14.9 % water. The SHTC was used continuously for 4.5 days without a significant decrease in catalytic performance. The results confirmed that SHTC is an effective solid acid catalyst in a continuous flow system for the esterification of FFA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Intensified reactive extraction for the acid-catalyzed conversion of fructose to 5-hydroxymethyl furfural

Here we conduct an experimental study of fructose dehydration to 5-hydroxymethyl furfural (HMF) in a biphasic microreactor as a function of residence time, temperature, and sugar loading using methyl butyl iso-ketone (MIBK) and 2-pentanol as extracting solvents. We demonstrate stable operation with maximum HMF yields of 93% and 87% in the two solvents, respectively, at 200 °C and a residence time of 2 s for a 5 wt% fructose aqueous feed. We report the highest optimal HMF space–time yield of 60 kg/L-hr at 200 °C (10 – 2,500-fold higher than published reports). Unexpectedly, an optimum organic-to-water ratio exists that depends on the solvent. Notably, we observe experimentally an increased fructose rate and HMF yield well above the extraction thermodynamic limit and hypothesize that the solvent plays a dual role, that of an extractant to protect HMF from degradation and a modifier of the fundamental chemistry. We expose mass transfer limitations of microreactors at longer residence times and higher temperatures and provide reactivity maps for their design. We show that batch reactors are unfit for high throughput and distributed manufacturing where small, farm-based systems are necessary.

42 ENGINEERING↗
DOE OSTI2026

Coupled machine learning–ecosystem ensemble models substantially improve predictions of nitrous oxide (N 2 O) fluxes from US croplands

Nitrous oxide (N 2 O) is a potent and persistent greenhouse gas, with rising atmospheric concentrations driven in part by inefficient use of synthetic nitrogen (N) fertilizers in agriculture. Predicting soil N 2 O emissions is challenging due to high spatial and temporal variability arising from complex soil biogeochemical processes. Process-based ecosystem models and standalone machine learning (ML) approaches without extensive site-specific calibration often miss high-emission episodes. Here, we show how an Ensemble Modeling System (EMS) based on outputs from an ensemble of ecosystem models coupled to an ensemble of ML models can improve predictions and understanding of N 2 O fluxes from US cropland. Trained and validated on ~12,000 N 2 O chamber measurements at 17 US Midwest sites (six crops, 35 management practices), the EMS accurately predicted daily fluxes of N 2 O at both training (R 2 = 0.84, RMSE = 16.4 g N ha −1 d −1 ) and held-out testing sites (R 2 = 0.84, RMSE = 6.2 g N ha −1 d −1 ). Analyses identified six dominant N 2 O drivers: soil organic carbon (SOC), NH 4 + , NO 3 - , water-filled pore space, temperature, and aboveground biomass production. Wet, warm soils produced large N 2 O peaks only with sufficient SOC and mineral N; in low-SOC soils, fluxes remained low. Incorporating these drivers into process-based models might significantly improve their predictive capacity. The EMS demonstrates a strong potential to predict N 2 O fluxes at unseen sites, enabling more reliable regional inventories, improved gap-filling where measurements are sparse, and enhanced understanding of mechanisms to advance targeted mitigation strategies in food, feed, and bioenergy crops.

AI↗