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DOE OSTI2024

Simulation of Particulate Transport for Delivery of Solid Amendments into the Subsurface: FY24 Status Report

For particulate-based amendments to be viable for field-scale remediation at the Hanford Site (e.g., 200 DV-1 Operable Unit), particles need to be delivered a sufficient radial distance from an injection well and retained at concentrations high enough for effective treatment. An accurate description of the particle radius of influence (ROI) is critical for developing an overall remediation strategy. However, field-scale particle simulations are currently limited due to insufficient simulation capabilities and a lack of experimental data to validate and parameterize particle transport models. To help build toward field-scale deployment, this fiscal year (FY) we have (1) developed a pre screening tool to estimate particle transport, (2) implemented particle transport models within PFLOTRAN, and (3) conducted preliminary estimations of particle ROI. While field-scale numerical simulations will ultimately be necessary before remedy design and field implementation, we have developed a pre-screening tool that offers valuable estimations of expected particle injectability and ROI in a 1-D system. The advantage of the tool is that it does not require extensive laboratory experiments and instead makes predictions based solely on routine laboratory measurements. This tool can assist in down-selection and decision-making by identifying which particle amendment systems are worth pursuing in future laboratory experiments, such as 1-D column tests and beyond. With any system, scaling up from the lab to the field presents challenges. Currently, there is no field data available for model calibration or validation. However, the theoretical particle models being developed herein are the best tools available to guide progress toward field deployment. To help bridge this gap and verify model predictions, larger-scale lab experiments are being proposed. To advance simulation capabilities, six particle transport models are being integrated into the reactive transport simulator PFLOTRAN. These include colloid filtration theory (CFT) and five additional particle transport models (M1-M5). Each model, from M1 to M5, progressively incorporates additional particle transport and retention processes. Ultimately, the simplest model capable of accurately describing 1-D column data will be selected and parameterized. During FY24, the CFT and M1 model have been fully implemented within PFLOTRAN. Using an existing 1 D column experiment, the two currently implemented particle transport models (CFT and M1), and associated parameters, were fit to this experiment. While simpler model formulations are helpful for estimations, these formulations could not fully describe particle transport and retention behavior in the previous 1-D column experiment. Thus, additional complexities will need to be considered, which will be accounted for in the M2-M5 model formulations. Additionally, because a viscous, shear thinning fluid was required to keep particles in suspension, considerations for flow will also need to also be accounted for. Therefore, a new immiscible two-phase flow mode is currently being implemented in PFLOTRAN. With some modifications, this new flow module could also support simulation of non-Newtonian liquid amendments, foams, and emulsions. We also estimated the expected ROI of solid amendments using 1-D simulations. The average predicted ROI was approximately 15 ft for micron-sized zero valent iron (mZVI) suspended in xanthan gum (XG). Using the pre screening tool and ROI estimates, additional amendment-delivery laboratory characterization and experiments are proposed. The results from additional experiments can be used to validate and parametrize particulate transport model formulations, which will ultimately provide predictive capabilities for field amendment-delivery systems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

Predicting initial trans-membrane pressure across cycles in the ultrafiltration process using random forest

With growing freshwater scarcity, direct potable reuse (DPR) systems that reclaim wastewater for drinking are becoming increasingly important for sustainable water supply. Reliable operation requires minimizing downtime in ultrafiltration (UF) units, where membrane fouling leads to elevated trans-membrane pressure (TMP). This study develops data-driven regression models based on random forest (RF) and autoregressive (AR) approaches to forecast the initial TMP at the start of each UF filtration cycle in a pilot-scale DPR system. The RF model consistently outperforms baseline methods, including historical mean, last observation carried forward, and AR models, across multiple forecast horizons, achieving the lowest root mean square error. To evaluate how different classes of process variables contribute to TMP dynamics over time, we examine the feature importance of independent input variables across multiple forecast horizons. This analysis provides insight into the temporal relevance of operational and sensor-derived features, guiding control and monitoring strategies. Additionally, the impact of hyperparameter tuning on TMP prediction performance is assessed for both direct and recursive RF modelling approaches. The proposed RF framework establishes a robust foundation for predictive monitoring and real-time optimization of UF operations, supporting sustainable and reliable water reuse.

direct potable reuse↗

NASA NTRS1999

Characterization of Human Bone Alkaline Phosphatase in Pichia Pastoris

A soluble form of human bone alkaline phosphatase has been expressed in a recombinant strain of the methylotrophic yeast Pichia pastoris. We constructed a plasmid containing cDNA encoding for human bone alkaline phosphatase, with the hydrophobic carboxyl terminal portion deleted. Alkaline phosphatase was secreted into the medium to a level of 32mg/L when cultured in shake flasks, and enzyme activity was 12U/mg, as measured by a spectrophotometric assay. By conversion to a fermentation system, a yield of 880mg/L has been achieved with an enzyme activity of 968U/mg. By gel electrophoresis analysis, it appears that greater than 50% of the total protein in the fermentation media is alkaline phosphatase. Although purification procedures are not yet completely optimized, they are expected to include filtration, ion exchange and affinity chromatography. Our presentation will focus on the purification and crystallization results up to the time of the conference. Structural data should provide additional information on the role of alkaline phosphatase in normal bone mineralization and in certain bone mineralization anomalies.

Malone, Christine C.↗

NASA NTRS2011

The Role of Planetary Dust and Regolith Mechanics in Technology Developments at NASA

One of NASA's long term goals continues to be the exploration of other planets and orbital bodies in our solar system. Our sustained presence through the installation of stations or bases on these planetary surfaces will depend on developing properly designed habitation modules, mobility systems and supporting infrastructure. NASA Glenn Research Center is involved in several technology developments in support of this overarching goal. Two key developments are in the area of advanced filtration and excavation systems. The first addresses the issues posed by the accumulation of particulate matter over long duration missions and the intrusion of planetary dust into spacecraft and habitat pressurized cabins. The latter supports the operation and infrastructure of insitu resource utilization (ISRU) processes to derive consumables and construction materials from the planetary regolith. These two developments require a basic understanding of the lunar regolith at the micro (particle) to macro (bulk) level. Investigation of the relevant properties of the lunar regolith and characterization of the standard simulant materials used in. testing were important first steps in these developments. The fundamentals and operational concepts of these technologies as well as descriptions of new NASA facilities, including the Particulate Filtration Testing and the NASA Excavation and Traction Testing facilities, and their capabilities for testing and advancing these technologies will be presented. The test data also serves to validate and anchor computational simulation models.

Agui, Juan H.↗

DOE OSTI2025

Catalytic hydrogenation of HMF to BHMF over copper catalysts

2,5-Bis(hydroxymethyl)furan (BHMF) is a bio-derived building block for polyester production, obtained via the hydrogenation of 5-hydroxymethylfurfural (HMF). First-principles thermodynamic equilibrium calculations indicate that this reaction is not thermodynamically limited under relevant conditions (e.g., 100 °C and high H 2 partial pressure). In this work, crude HMF was employed as the feedstock for BHMF synthesis. Initially, acidic impurities and humins were removed from unrefined HMF through filtration using a packed bed of γ-alumina. A comprehensive study of the filtration process is presented, including filtration kinetics, breakthrough curve analysis, and mathematical modeling. The purified HMF was subsequently hydrogenated over a 10 wt% CuZrO 2 catalyst, using ethanol as the reaction solvent. Batch reactions were first performed for collection of kinetic data to guide the transition to continuous flow operation. Kinetic data was collected in a fixed bed reactor at varying contact time, time on stream, temperature, and HMF concentration. This data was used to develop a kinetic model for HMF hydrogenation. Maximum BHMF production rates were achieved at 130 °C, accompanied by minor formation of byproducts from BHMF ring-opening reactions. The BHMF selectivity was 100 % at 100 °C although with lower reaction rates. Furthermore, catalyst stability tests revealed a loss of up to 50 % in catalytic activity within the first 24 h, likely due to the adsorption of HMF-derived oligomers that are not easily removed by filtration.

Crude HMF filtration↗

NASA NTRS2013

Development of an Indexing Media Filtration System for Long Duration Space Missions

The effective maintenance of air quality aboard spacecraft cabins will be vital to future human exploration missions. A key component will be the air cleaning filtration system which will need to remove a broad size range of particles derived from multiple biological and material sources. In addition, during surface missions any extraterrestrial planetary dust, including dust generated by near-by ISRU equipment, which is tracked into the habitat will also need to be managed by the filtration system inside the pressurized habitat compartments. An indexing media filter system is being developed to meet the demand for long-duration missions that will result in dramatic increases in filter service life and loading capacity, and will require minimal crew involvement. The filtration system consists of three stages: an inertial impactor stage, an indexing media stage, and a high-efficiency filter stage, packaged in a stacked modular cartridge configuration. Each stage will target a specific range of particle sizes that optimize the filtration and regeneration performance of the system. An 1/8th scale and full-scale prototype of the filter system have been fabricated and have been tested in the laboratory and reduced gravity environments that simulate conditions on spacecrafts, landers and habitats. Results from recent laboratory and reduce-gravity flight tests data will be presented. The features of the new filter system may also benefit other closed systems, such as submarines, and remote location terrestrial installations where servicing and replacement of filter units is not practical.

Filtration↗

NASA NTRS1981

An overview of the endocrine and metabolic changes in manned space flight

Analyses of endocrinological and metabolic data from humans during spaceflight, particularly the Skylab crews, are summarized to define the levels of knowledge of these processes and the techniques for studying them. The glomerular filtration rate was tested by urine and blood samples, yielding indications of a creatinine clearance increase. The mechanisms for an increase of free water clearance, implying an increase of antidiuretic hormone, are uncertain, and tests are also under way to evaluate the role of prostaglandins in-flight, to account for decreases in catecholamine excretion. Bone mineral losses of 7.9% were observed at the end of 84 days, and processes are suggested for the calcium metabolism. Finally, the observation of almost universal weight loss among space crewmembers is examined, and a loss of muscle tone due to decreased metabolic efficiency is cited as a feature of long duration spaceflight.

Leach, C. S.↗

NASA NTRS2017

Performance Enhancement of a Computational Persistent Homology Package

In recent years, persistent homology has become an attractive method for data analysis. It captures topological features, such as connected components, holes, voids, etc., from a point cloud by finding out when these features appear and disappear in the filtration sequence. In this project, we focus on improving the performance of Eirene, a fancy computational persistent homology package. Eirene is a 5000-line opensource software implemented by using the dynamic programming language Julia. We use the Julia profiling tools to identify the performance bottlenecks and develop different methods to manage the bottlenecks, including the parallelization of some time-consuming functions on the multicore/manycore hardware. The empirical results show that the performance can be greatly improved.

Profiling↗

NASA NTRSDate not supplied

Unleashing the Power of Anaerobic–Phototrophic Membrane Bioreactors for Sustainable Bioregenerative Life Support

Using the core ideals of bioregenerative life support, an anaerobic–phototrophic membrane bioreactor (APMBR) has been designed and operated at NASA’s Kennedy Space Center to treat complex wastewaters with the goal of closing water and nutrient cycles on early planetary bases. The system combined the previously operated anaerobic membrane bioreactor and the phototrophic membrane bioreactor that have been detailed in presentations at previous ICES conferences. This newly combined system is able to treat complex wastewater with completely automated controls on a small footprint. The treatment of wastes in this APMBR is as follows: (1) the waste enters the anaerobic subsystem, where solids are hydrolyzed and carbon is removed via anaerobic digestion, (2) an ultrafiltration membrane is used to separate the solids and the recovered water, (3) the effluent from the anaerobic subsystem is fed to the phototrophic subsystem on command, (4) the algae–bacteria consortium aids in nitrification in the recovered water, and (5) an ultrafiltration membrane is used to separate the algae and the final recovered water. The recovered water from the APMBR is rich in nutrients, making it a sustainable source of fertilizer for downstream hydroponic systems. This conference paper will detail the design and operation of the APMBR as a bioregenerative alternative to physical–chemical systems or bag and storage systems. In this paper, data will be presented on subsystem water quality, membrane performance, and effluent quality. Overall, the APMBR has the ability to treat wastewater using a combination of biological and filtration technologies that allow for higher removal efficiencies, low consumable use, and small footprint.

Jason A. Fischer↗

NASA NTRS1989

Maladjustment of kidneys to microgravity: Design of measures to reduce the loss of calcium

Losses of skeletal calcium and body fluids occur during prolonged exposure to microgravity. The kidney plays a major role in regulating the physiological functions involved. Relative to this regulatory function, the kidney performs three operations: filtration of blood plasma through the glomeruli, reabsorption, and secretion of fluid and electrolytes so that needed components are retained and only waste is eliminated in the urine. Using data published in Biomedical Results from Skylab, researchers performed new calculations that reflect more directly the operations of the kidney in the handling of calcium, sodium, chloride, potassium and phosphate during space flight. These calculations revealed that the fraction of filtered calcium that was rejected by renal tubules and excreted in the urine increased by 71 percent, from 1.77 percent (preflight) to 3.02 percent (inflight) of the filtered load. This represents a large absolute increase because the total filtered amount is huge. Because the tubular rejection fraction of other ions increased relatively less than that of calcium, researchers postulate the inflight development of a specific renal defect that causes an excessive loss of calcium in urine and thereby contributes to the weakening of bones.

Nechay, Bohdan R.↗

NASA NTRS2016

Fire Detection Tradeoffs as a Function of Vehicle Parameters

Fire survivability depends on the detection of and response to a fire before it has produced an unacceptable environment in the vehicle. This detection time is the result of interplay between the fire burning and growth rates; the vehicle size; the detection system design; the transport time to the detector (controlled by the level of mixing in the vehicle); and the rate at which the life support system filters the atmosphere, potentially removing the detected species or particles. Given the large differences in critical vehicle parameters (volume, mixing rate and filtration rate) the detection approach that works for a large vehicle (e.g. the ISS) may not be the best choice for a smaller crew capsule. This paper examines the impact of vehicle size and environmental control and life support system parameters on the detectability of fires in comparison to the hazard they present. A lumped element model was developed that considers smoke, heat, and toxic product release rates in comparison to mixing and filtration rates in the vehicle. Recent work has quantified the production rate of smoke and several hazardous species from overheated spacecraft polymers. These results are used as the input data set in the lumped element model in combination with the transport behavior of major toxic products released by overheating spacecraft materials to evaluate the necessary alarm thresholds to enable appropriate response to the fire hazard.

microgravity↗

NASA NTRS2016

Fire Detection Tradeoffs as a Function of Vehicle Parameters

microgravity↗

DOE OSTI2025

Unattended Monitoring of Uranium Holdup with Scintillating Fibers

This work evaluated the use of scintillating fiber (SciFi) radiation sensors as a cost-effective, unattended monitoring technique for uranium holdup accumulation in reprocessing equipment. With ruggedized packaging and an outer diameter of less than 1 cm, scintillating fibers offer deployment flexibility. Additionally, plastic scintillating fibers coupled with standard optical fibers provide an affordable option to monitor locations kilometers away from a localized control room or data acquisition (DAQ) system. These combinations of characteristics along with their relatively low manufacturing costs make scintillating fibers ideal for installation at key measurement points such as pipes, valves, and filtration systems.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

NASA NTRS2014

From Earth to Space: Application of Biological Treatment for the Removal of Ammonia from Water

Managing ammonia is often a challenge in both drinking water and wastewater treatment facilities. Ammonia is unregulated in drinking water, but its presence may result in numerous water quality issues in the distribution system such as loss of residual disinfectant, nitrification, and corrosion. Ammonia concentrations need to be managed in wastewater effluent to sustain the health of receiving water bodies. Biological treatment involves the microbiological oxidation of ammonia to nitrate through a two‐step process. While nitrification is common in the environment, and nitrifying bacteria can grow rapidly on filtration media, appropriate conditions, such as the presence of dissolved oxygen and required nutrients, need to be established. This presentation will highlight results from two ongoing research programs - one at NASA's Johnson Space Center, and the other at a drinking water facility in California. Both programs are designed to demonstrate nitrification through biological treatment. The objective of NASA's research is to be able to recycle wastewater to potable water for spaceflight mission. To this end, a biological water processor (BWP) has been integrated with a forward osmosis secondary treatment system (FOST). Bacteria mineralize organic carbon to carbon dioxide as well as ammonia‐nitrogen present in the wastewater to nitrogen gas, through a combination of nitrification and denitrification. The effluent from the BWP system is low in organic contaminants, but high in total dissolved solids. The FOST system, integrated downstream of the BWP, removes dissolved solids through a combination of concentration‐driven forward osmosis and pressure driven reverse osmosis. The integrated system testing planned for this year is expected to produce water that requires only a polishing step to meet potable water requirements for spaceflight. The pilot study in California is being conducted on Golden State Water Company's Yukon wellsthat have hydrogen sulfide odor, color, total organic carbon, bromide, iron and manganese in addition to ammonia. A treatment evaluation, conducted in 2011, recommended the testing of biological oxidation filtration for the removal of ammonia and production of biologically stable water. A 8‐month pilot testing program was conducted to develop and optimize key design and operational variables. Steadystate operational data was collected to demonstrate long‐term performance and inform California Department of Public Health permitting of the full‐scale process. As ammonia continues to present challenges to water and wastewater systems, innovative strategies such as biological treatment can be applied to successfully manage it. This presentation will discuss application of cutting‐age research being conducted by NASA that will bridge existing information gaps, and benefit municipal utilities.

Ghosh, Amlan↗

NASA NTRS2014

From Earth to Space: Application of Biological Treatment for the Removal of Ammonia from Water

Managing ammonia is often a challenge in both drinking water and wastewater treatment facilities. Ammonia is unregulated in drinking water, but its presence may result in numerous water quality issues in the distribution system such as loss of residual disinfectant, nitrification, and corrosion. Ammonia concentrations need to be managed in wastewater effluent to sustain the health of receiving water bodies. Biological treatment involves the microbiological oxidation of ammonia to nitrate through a two‐step process. While nitrification is common in the environment, and nitrifying bacteria can grow rapidly on filtration media, appropriate conditions, such as the presence of dissolved oxygen and required nutrients, need to be established. This presentation will highlight results from two ongoing research programs - one at NASA's Johnson Space Center, and the other at a drinking water facility in California. Both programs are designed to demonstrate nitrification through biological treatment. The objective of NASA's research is to be able to recycle wastewater to potable water for spaceflight missions. To this end, a biological water processor (BWP) has been integrated with a forward osmosis secondary treatment system (FOST). Bacteria mineralize organic carbon to carbon dioxide as well as ammonia‐nitrogen present in the wastewater to nitrogen gas, through a combination of nitrification and denitrification. The effluent from the BWP system is low in organic contaminants, but high in total dissolved solids. The FOST system, integrated downstream of the BWP, removes dissolved solids through a combination of concentration‐driven forward osmosis and pressure driven reverse osmosis. The integrated system testing planned for this year is expected to produce water that requires only a polishing step to meet potable water requirements for spaceflight. The pilot study in California is being conducted on Golden State Water Company's Yukon wells that have hydrogen sulfide odor, color, total organic carbon, bromide, iron and manganese in addition to ammonia. A treatment evaluation, conducted in 2011, recommended the testing of biological oxidation filtration for the removal of ammonia and production of biologically stable water. An 8‐month pilot testing program was conducted to develop and optimize key design and operational variables. Steadystate operational data was collected to demonstrate long‐term performance and inform California Department of Public Health permitting of the full‐scale process. As ammonia continues to present challenges to water and wastewater systems, innovative strategies such as biological treatment can be applied to successfully manage it. This presentation will discuss application of cutting‐age research being conducted by NASA that will bridge existing information gaps, and benefit municipal utilities.

Pickering, Karen↗

DOE OSTI2024

Topological Data Analysis for Particulate Gels

Soft gels, formed via the self-assembly of particulate materials, exhibit intricate multiscale structures that provide them with flexibility and resilience when subjected to external stresses. Here, this work combines particle simulations and topological data analysis (TDA) to characterize the complex multiscale structure of soft gels. Our TDA analysis focuses on the use of the Euler characteristic, which is an interpretable and computationally scalable topological descriptor that is combined with filtration operations to obtain information on the geometric (local) and topological (global) structure of soft gels. We reduce the topological information obtained with TDA using principal component analysis (PCA) and show that this provides an informative low-dimensional representation of the gel structure. We use the proposed computational framework to investigate the influence of gel preparation (e.g., quench rate, volume fraction) on soft gel structure and to explore dynamic deformations that emerge under oscillatory shear in various response regimes (linear, nonlinear, and flow). Our analysis provides evidence of the existence of hierarchical structures in soft gels, which are not easily identifiable otherwise. Moreover, our analysis reveals direct correlations between topological changes of the gel structure under deformation and mechanical phenomena distinctive of gel materials, such as stiffening and yielding. In summary, we show that TDA facilitates the mathematical representation, quantification, and analysis of soft gel structures, extending traditional network analysis methods to capture both local and global organization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Aqueous Organic Matter from Kougarok Fire Complex, Alaska, 2023

Chemical analyses of aqueous organic matter extracted by filtration from a small set of organic layer samples collected from burned and unburned tussock tundra sites in the Kougarok Fire Complex, near Nome, Alaska. There are five files in *.csv format with one data file and four data description files including data dictionary, methods, terminology, and file-level metadata.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Comparative life cycle assessment of remote potable water supply for the Department of Defense

The Department of Defense (DOD) and other agencies, including relief organizations, require potable water for remote missions around the globe. As part of recent initiative by the U.S. Federal government through Executive Order 14057, the DOD has been instructed to investigate the sustainability of operations and practices within the context of climate change. One such practice that needs to be addressed is the procurement of potable water, an essential requirement of any remote mission or location. Currently, there are three primary means of procuring potable water at remote locations: bottled water, on-site purification, or tie-in to existing, local infrastructure. The first two operations are often considered the most secure options, but have sustainability concerns. The purpose of this study is to compare the environmental impacts of bottled water procurement versus on-site treatment via a mobile Reverse Osmosis Water Purification Unit (ROWPU), which uses multiple levels of filtration to make potable water from a local source. A cradle-to-gate assessment was developed for both systems to compare different options for potable water supply. An in person inventory was paired with data taken from the Ecoinvent 3.8 database to directly compare the two systems. The two systems are compared on a 5-year timeline to analyze the environmental impact of repeated bottled water transport versus diesel generator-fueled on-site treatment. Across all impact categories, the results indicate that high energy costs of the reverse osmosis process have significantly less impact on the environment than the repetitive transport and procurement of bottled water. The results of the study have important implications for advancing sustainable operations for remote communities or temporary settlements.

54 ENVIRONMENTAL SCIENCES↗