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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Magnetic Control of Convection in Electrically Nonconducting Fluids

Inhomogeneous magnetic fields exert a body force on electrically nonconducting, magnetically permeable fluids. This force can be used to compensate for gravity and to control convection. The effects of uniform and nonuniform magnetic fields on a laterally unbounded fluid layer heated from below or above are studied using a linear stability analysis of the Navier-Stokes equations supplemented by Maxwell's equations and the appropriate magnetic body force. For a uniform oblique field, the analysis shows that longitudinal rolls with axes parallel to the horizontal component of the field are the rolls most unstable to convection. The corresponding critical Rayleigh number and critical wavelength for the onset of such rolls are less than the well-known Rayleigh-Benard values in the absence of magnetic fields. Vertical fields maximize these deviations, which vanish for horizontal fields. Horizontal fields increase the critical Rayleigh number and the critical wavelength for all rolls except longitudinal rolls. For a nonuniform field, our analysis shows that the magnetic effect on convection is represented by a dimensionless vector parameter which measures the relative strength of the induced magnetic buoyancy force due to the applied field gradient. The vertical component of this parameter competes with the gravitational buoyancy effect, and a critical relationship between this component and the Rayleigh number is identified for the onset of convection. Therefore, Rayleigh-Benard convection in such fluids can be enhanced or suppressed by the field. It also shows that magnetothermal convection is possible in both paramagnetic and diamagnetic fluids. Our theoretical predictions for paramagnetic fluids agree with experiments. Magnetically driven convection in diamagnetic fluids should be observable even in pure water using current technology.

Huang, Jie↗
DOE OSTI2023

Free-standing membrane incorporating single-atom catalysts for ultrafast electroreduction of low-concentration nitrate

The release of wastewaters containing relatively low levels of nitrate (NO 3 ⁻) results in sufficient contamination to induce harmful algal blooms and to elevate drinking water NO 3 ⁻ concentrations to potentially hazardous levels. In particular, the facile triggering of algal blooms by ultra-low concentrations of NO 3 ⁻ necessitates the development of efficient methods for NO 3 ⁻ destruction. However, promising electrochemical methods suffer from weak mass transport under low reactant concentrations, resulting in long treatment times (on the order of hours) for complete NO 3 ⁻ destruction. In this study, we present flow-through electrofiltration via an electrified membrane incorporating nonprecious metal single-atom catalysts for NO 3 ⁻ reduction activity enhancement and selectivity modification, achieving near-complete removal of ultra-low concentration NO 3 ⁻ (10 mg-N L -1 ) with a residence time of only a few seconds (10 s). By anchoring Cu single atoms supported on N-doped carbon in a carbon nanotube interwoven framework, we fabricate a free-standing carbonaceous membrane featuring high conductivity, permeability, and flexibility. The membrane achieves over 97% NO 3 ⁻ removal with high N 2 selectivity of 86% in a single-pass electrofiltration, which is a significant improvement over flow-by operation (30% NO 3 ⁻ removal with 7% N 2 selectivity). This high NO 3 ⁻ reduction performance is attributed to the greater adsorption and transport of nitric oxide under high molecular collision frequency coupled with a balanced supply of atomic hydrogen through H 2 dissociation during electrofiltration. Overall, our findings provide a paradigm of applying a flow-through electrified membrane incorporating single-atom catalysts to improve the rate and selectivity of NO 3 ⁻ reduction for efficient water purification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Modeling the influence of preferential flow on the spatial variability and time-dependence of mineral weathering rates

Inferences of weathering rates from laboratory and field observations suggest significant scale and time-dependence. Preferential flow induced by heterogeneity (manifest as permeability variations or discrete fractures) has been suggested as one potential mechanism causing scale/time-dependence. In this paper, we present a quantitative evaluation of the influence of preferential flow on weathering rates using reactive transport modeling. Simulations were performed in discrete fracture networks (DFNs) and correlated random permeability fields (CRPFs), and compared to simulations in homogeneous permeability fields. The simulations reveal spatial variability in the weathering rate, multidimensional distribution of reactions zones, and the formation of rough weathering interfaces and corestones due to preferential flow. In the homogeneous fields and CRPFs, the domain-averaged weathering rate is initially constant as long as the weathering front is contained within the domain, reflecting equilibrium-controlled behavior. The behavior in the CRPFs was influenced by macrodispersion, with more spread-out weathering profiles, an earlier departure from the initial constant rate and longer persistence of weathering. DFN simulations exhibited a sustained time-dependence resulting from the formation of diffusion-controlled weathering fronts in matrix blocks, which is consistent with the shrinking core mechanism. A significant decrease in the domain-averaged weathering rate is evident despite high remaining mineral volume fractions, but the decline does not follow a math formula dependence, characteristic of diffusion, due to network scale effects and advection-controlled behavior near the inflow boundary. Finally, the DFN simulations also reveal relatively constant horizontally averaged weathering rates over a significant depth range, challenging the very notion of a weathering front.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Critical Review of the Physicochemical Impacts of Water Chemistry on Shale in Hydraulic Fracturing Systems

Hydraulic fracturing of unconventional hydrocarbon resources involves the sequential injection of a high-pressure, particle-laden fluid with varying pH’s to make commercial production viable in low permeability rocks. This process both requires and produces extraordinary volumes of water. The water used for hydraulic fracturing is typically fresh, whereas “flowback” water is typically saline with a variety of additives which complicate safe disposal. As production operations continue to expand, there is an increasing interest in treating and reusing this high-salinity produced water for further fracturing. Here in this paper we review the relevant transport and geochemical properties of shales, and critically analyze the impact of water chemistry (including produced water) on these properties. We discuss five major geochemical mechanisms that are prominently involved in the temporal and spatial evolution of fractures during the stimulation and production phase: shale softening, mineral dissolution, mineral precipitation, fines migration, and wettability alteration. A higher salinity fluid creates both benefits and complications in controlling these mechanisms. For example, higher salinity fluid inhibits clay dispersion, but simultaneously requires more additives to achieve appropriate viscosity for proppant emplacement. In total this review highlights the nuances of enhanced hydrogeochemical shale stimulation in relation to the choice of fracturing fluid chemistry.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Integrating geophysical monitoring data into multiphase fluid flow reservoir simulation

Simulation of multiphase flow systems are of critical importance in managing hydrological systems. Flow simulations are affected by a number of factors including structure and flow properties including porosity and permeability as well as the anisotropy and heterogeneity of these properties. In many cases traditional hydrological and reservoir data are highly affected by these parameters, but are not directly sensitive to them. As such modellers often adjust these parameters in an ad hoc manner until solutions numerically converge. Simulation models are generally based on structural data from reflection seismics whose physical flow properties are then populated using geostatistical extrapolation techniques utilizing a sparse number of borehole logs and core analysis. In multiphase systems including enhanced oil recovery and carbon capture and sequestration uncertainties regarding phase-dependent physical properties confounds this challenge further. Geophysical methods provide a means by which to gain an improved understanding of phase distributions in the subsurface. In this paper we will look at applications from active carbon capture and sequestration and enhanced oil recovery applications, as well as synthetic examples. Geophysical data including electromagnetic and gravity are inverted using structural constraints from the reservoir model. Inversions are then mapped into flow properties using calibrated relations such as Archie’s Equation. The coupled models can then be used to both verify and improve on the reservoir flow model which improves it’s predictive power and utility as a management tool.

02 PETROLEUM↗
DOE OSTI2018

A Viable Path Forward to Carbon Capture and Storage in Wyoming, USA

The State of Wyoming, USA, benefits from favorable geologic, regulatory, and infrastructure attributes that promote efficient and sustainable carbon capture and storage (CCS). Two research sites in Wyoming exhibit high potential for the underground geologic storage of greater than 50 million metric tons of carbon dioxide (CO 2 ) over 25 years. Funded by the U.S. Department of Energy’s (DOE) Carbon Storage Assurance and Facility Enterprise (DOE CarbonSAFE) Phase I prefeasibility initiative, studies of both sites indicate promising capture, transport, utilization, and storage characteristics. The Dry Fork site is located near Gillette, in northeast Wyoming. Four storage reservoir/seal pairs have been identified at the Dry Fork site that provide excellent prospects for stacked storage of CO 2 . All four reservoirs lie at sufficient depths to maintain supercritical CO 2 and all four seals exhibit favorable characteristics for stratigraphic confinement. The reservoir with the highest expected significance is the Pennsylvanian/Permian Minnelusa Formation, which consists of near-shore dunes and shoreline sands, as well as shale and carbonate layers. The Minnelusa resides at a depth of ~2,900 m below the land surface and is ~45 m thick in the study area. Average porosity for samples from core within 10 km of the study area is 9%, with permeability values as high as 169 mD (n=6). The Permian Opeche Formation seals the Minnelusa and consists of redbed shales with minor fine-grained siltstones and evaporite deposits. Entry pressures as high as ~4700 psia were measured by mercury injection capillary pressure (MICP) analysis on core samples from the Opeche. A CarbonSAFE Phase II feasibility proposal at the Dry Fork site has recently been selected by DOE for negotiation leading to award. The second proposed site is located at the Rock Springs Uplift (RSU) in southwest Wyoming. Four reservoir/seal pairs have been studied at the RSU, all of which present promising geologic attributes for the stacked storage of CO 2 . The two deepest reservoirs (Mississippian Madison Limestone and Pennsylvanian/Permian Weber Formation) and their seals were studied previously under the auspices of the Wyoming Carbon Underground Storage Project (WY-CUSP), which was funded by DOE and the State of Wyoming. For the more recent CarbonSAFE initiative, two shallower reservoir/seal pairs were studied in detail. The highest priority of these reservoirs is the Triassic/Jurassic Nugget Formation, which consists of eolian sands and minor fluvial and interdune deposits. The Nugget lies at a depth of ~2,800 m and is ~140 m thick in the study area. Average measured porosity for samples from core within 40 km of the study site is 9%, with permeability values as high as 91 mD (n=10). The Nugget is sealed by the overlying Jurassic Gypsum Spring and Morrison Formations, as well as a thick (~1,700 m) regional Upper Cretaceous seal that includes shales from multiple geologic units. Entry pressures as high as 1120 psia were measured by MICP for shales within this regional confining unit. Overall, the State of Wyoming provides an advantageous climate to develop sustainable integrated CCS projects based on the following considerations: (1) well-characterized and favorable geology; (2) some of the largest deposits of economically recoverable coal in the USA; (3) an existing CO 2 -enhanced oil recovery industry, including CO 2 pipeline infrastructure; (4) supportive commercial enterprises, including utilities and the oil and gas industry; (5) supportive policymakers; (6) a favorable legal and regulatory environment; (7) proximity to carbon-constrained markets such as the State of California; (8) large CO 2 emission sources, including coal-fired power plants; and (9) backing for carbon capture, storage, and management related research and development, specifically implementation of the Integrated Test Center at Dry Fork Station, which is hosting the coal-track of the NRG/COSIA Carbon XPrize® competition.

Phillips, Erin↗
DOE OSTI2024

Electrical Resistivity Tomography Monitoring of In Situ Soil Flushing at the Hanford 100-K East Area: 100KE Soil Flushing Monitoring

Former operations in the 100-KE Area at the Hanford Site resulted in vadose zone hexavalent chromium that provides a source of groundwater contamination. Previous efforts to remediate vadose zone chromium involved excavation and offsite treatment of contaminated soils. Although much of the chromium was removed, contamination still exists in native soil between the water table and the bottom of the pit, which has since been backfilled. In-situ soil flushing was tested at the 100-KE Area to accelerate the removal of the remaining hexavalent chromium in the vadose zone. Soil flushing works by applying clean flush water at the surface, which mobilizes and transports chromium as it migrates downward to the water table. Once the chromium reaches the water table, it is hydraulically contained, extracted, and treated through pump and treat operations. The efficacy of soil flushing is directly related to the volume of clean water that infiltrates through contaminated soils. Therefore, performance monitoring requires and understanding of flush water migration through the vadose zone. It is challenging to comprehensively assess soil flushing performance via borehole access due to the limited volume of investigation afforded by a given wellbore. As an alternative, 3D time-lapse electrical resistivity tomography (ERT) was tested as a method of monitoring the distribution of flush water over time within the vadose zone. ERT is a method of imaging the bulk electrical conductivity of the subsurface, which is highly dependent on water saturation levels in unconsolidated and unsaturated sediments. Thus, the timing and location of changes in bulk conductivity caused by soil flushing can be used to infer flush water migration pathways. In this report we present results of 3D time-lapse ERT imaging during two separate soil flushing campaigns conducted during the spring and summer months of 2022 and 2023. Results show generally that: 1) Pit backfill materials appear to nominally have larger permeability than native soils. Consequently, the boundary between pit backfill and native soil had a significant impact on flush water migration, causing some flush water to migrate along the pit boundary to the bottom of the pit. 2) Non-uniform flows, likely caused by variations in hydrogeologic properties, developed in the pit backfill materials, resulting in uneven flush water distribution on the southern margin of the soil flushing zone. 3) Redistribution of water at the interface between backfill materials and Hanford formation materials likely facilitated elevated and uniform distribution of flush water within native soils beneath the deeper parts of the pit boundary beneath the center of the flush zone, which presumably overlie soils with elevated chromium contamination. These areas appear to have been infiltrated by higher volumes of flush water than the northern and southern margins of the flush zone. 4) In comparison to 2022, high flush water application rates significantly improved flush water distribution throughout the target flushing zone. 5) Imaging resolution was limited to a depth of approximate 20 meters below the land surface, due primarily to limitations on the lateral extent of the surface ERT array. The ~10 m region of the vadose zone between approximately 130 meters elevation and the water table at approximately 120 meters elevation was unresolved.

100 Area↗
DOE OSTI2019

Preparation of nanofibrillated cellulose and application in reinforced PLA/starch nanocomposite film

Polylactic acid (PLA), one of the most promising biopolymers with exceptional properties, is being used in a wide variety of applications in diverse fields. However, low degradation rate, relatively high cost and inherently high brittleness of PLA severely hamper its further development, particularly in functional nanocomposites for bio-based packaging. In the present work, green, biodegradable and reinforced PLA-based nanocomposite films were designed and prepared, where starch was incorporated for reducing the overall cost of nanocomposites for large-scale application, and nanofibrillated cellulose (NFC) isolated from microcrystalline cellulose (MCC) via a completely green process was employed as a reinforcing phase. Initially, the morphology structure and dimension of the NFC samples isolated by high-pressure homogenization (HPH) coupled with hot water pretreatment were characterized using SEM, FT-IR, XRD, and laser scattering particle analyzer. Moreover, the effect of NFC loadings on the rheological behavior of the PLA based nanocomposite suspensions and the overall properties of the corresponding nanocomposite films were investigated. Results indicated that increased NFC loadings reduced the shear viscosity and shear stress of the nanocomposite suspensions. Furthermore, the desired PLA/starch/NFC nanocomposite films were found to exhibit improved tensile strength, Young’s modulus and reduced air permeability in comparison to pure PLA/starch films. This work offered an effective route for the preparation of biodegradable and reinforced PLA-based nanocomposite films, which may be promising bio-nanocomposite materials for food packaging applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Glutathione S-transferase P protects against cyclophosphamide-induced cardiotoxicity in mice

High-dose chemotherapy regimens using cyclophosphamide (CY) are frequently associated with cardiotoxicity that could lead to myocyte damage and congestive heart failure. However, the mechanisms regulating the cardiotoxic effects of CY remain unclear. Because CY is converted to an unsaturated aldehyde acrolein, a toxic, reactive CY metabolite that induces extensive protein modification and myocardial injury, we examined the role of glutathione S-transferase P (GSTP), an acrolein-metabolizing enzyme, in CY cardiotoxicity in wild-type (WT) and GSTP-null mice. Treatment with CY (100–300 mg/kg) increased plasma levels of creatine kinase-MB isoform (CK·MB) and heart-to-body weight ratio to a significantly greater extent in GSTP-null than WT mice. In addition to modest yet significant echocardiographic changes following acute CY-treatment, GSTP insufficiency was associated with greater phosphorylation of c-Jun and p38 as well as greater accumulation of albumin and protein–acrolein adducts in the heart. Mass spectrometric analysis revealed likely prominent modification of albumin, kallikrein-1-related peptidase, myoglobin and transgelin-2 by acrolein in the hearts of CY-treated mice. Treatment with acrolein (low dose, 1–5 mg/kg) also led to increased heart-to-body weight ratio and myocardial contractility changes. Acrolein induced similar hypotension in GSTP-null and WT mice. GSTP-null mice also were more susceptible than WT mice to mortality associated with high-dose acrolein (10–20 mg/kg). Collectively, these results suggest that CY cardiotoxicity is regulated, in part, by GSTP, which prevents CY toxicity by detoxifying acrolein. Thus, humans with low cardiac GSTP levels or polymorphic forms of GSTP with low acrolein-metabolizing capacity may be more sensitive to CY toxicity. - Graphical abstract: Cyclophosphamide (CY) treatment results in P450-mediated metabolic formation of phosphoramide mustard and acrolein (3-propenal). Acrolein is either metabolized and detoxified by glutathione S-transferase P (GSTP) via conjugation with GSH or acrolein can react with circulating and cardiac proteins to form protein–acrolein adducts that may contribute to cardiac injury, increased vascular permeability and edema and acute cardiotoxicity. Under low dose exposure, this event is reversible but at high levels of CY treatment and/or in susceptible individuals (e.g., hGSTP1 polymorphism), CY-induced cardiotoxicity is augmented and sudden death may occur. - Highlights: • Acute cardiotoxicity of cyclophosphamide (CY) is exacerbated in GSTP-null mice. • CY altered cardiac contractility, vascular leak and protein–acrolein adducts. • Cardiotoxicity of CY is recapitulated by acrolein only exposure. • Acrolein-induced cardiotoxicity and mortality is enhanced in male GSTP-null mice.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2011

Flight Testing of the Forward Osmosis Bag for Water Recovery on STS-135

The Forward Osmosis Bag (FOB) is a personal water purification device for recovery of potable liquid from almost any non-potable water source. The FOB experiment was flown as a sortie mission on STS-135/ULF7 using flight-certified materials and a design based on the X-Pack(TradeMark) from Hydration Technology Innovations (Albany, OR). The primary objective was to validate the technology for use under microgravity conditions. The FOB utilizes a difference in solute concentration across a selectively permeable membrane to draw water molecules from the non-potable water while rejecting most chemical and all microbial contaminants contained within. Six FOB devices were tested on STS-135 for their ability to produce a potable liquid permeate from a feed solution containing 500 mL potassium chloride (15 g/L) amended with 0.1% methyl blue dye (w:v) tracer against an osmotic gradient created by addition of 60 mL of concentrate containing the osmolytes fructose and glucose, and 0.01% sodium fluorescein (w:v) tracer. Three FOB devices were physically mixed by hand for 2 minutes by a crewmember after loading to augment membrane wetting for comparison with three unmixed FOB devices. Hydraulic flux rate and rejection of salt and dye in microgravity were determined from a 60-mL sample collected by the crew on orbit after 6 hours. Post-flight analysis of samples collected on orbit demonstrated that the Forward Osmosis Bag achieved expected design specifications in microgravity. The hydraulic flux rate of water across the membrane was reduced approximately 50% in microgravity relative to ground controls that generated an average of 50 mL per hour using the same water and osmolyte solutions. The membrane rejected both potassium and chloride at >92% and methyl blue dye at >99.9%. Physical mixing of the FOB during water recovery did not have any significant effect on either flux rate or rejection of solutes from the water solution. The absence of buoyancy-driven convection in microgravity suggests that mass transport was dominated by diffusion, slowing the rate of permeate production across the membrane. It is possible that a predicted reduction in concentration polarization at the membrane surface that may have acted to increase the rate of permeate production in microgravity was negligible under the described test conditions.

Roberts, Michael S.↗
DOE OSTI2013

Chlorite Dissolution Kinetics at Variable pH and Temperatures up to 275 °C

The objective of this suite of experiments was to develop a useful kinetic dissolution expression for chlorite that would be applicable over a wide range of solution pH and temperature conditions representative of subsurface conditions in natural and/or engineering geothermal reservoirs. The resulting rate equation is dependent on both pH and temperature and utilizes two specific dissolution mechanisms (an “acid” and a “neutral” mechanism). Rate parameters were derived from data collected at LLNL and available published data from Lowson et al. (2007). The form of this rate equation (Equation 1) should be easy to incorporate into most existing reactive transport codes for use in prediction of rock-water interactions in EGS systems. Specifically, we find that the dissolution of chlorite, a sheet-silicate, is relatively slow at elevated temperatures (100-275 °C), compared to other framework silicate minerals for which higher temperature kinetic data are available (e.g., quartz and feldspars; see Palandri and Kharaka, 2004). This finding is in conflict with previously reported high activation energies for chlorite based on extrapolation of low-temperature experimental data to higher temperatures. Additionally, we note that the dissolution of chlorite does not increase under alkaline conditions, as has been noted for other minerals, but rather remains at the same level as that noted for neutral conditions, with only a weak dependence on temperature. Future work includes similar rate measurements and the derivation of useful rate equations for illite, smectite, and biotite from pH 3 to 10 and 100 to 275 °C. Geochemical alteration, changing stress fields, mass transport and heat transfer incorporated into computational models are needed to optimize geothermal energy production for EGS systems. The resulting mineral rate equations from this work can be directly incorporated in modeling efforts to fully assess the impacts of geochemical alteration on long-term fracture permeability for EGS systems across the Geothermal Program. Chlorite rate equations and data have been submitted to the Geothermal Data Repository.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

New sterically hindered polyvinylamine-containing membranes for CO 2 capture from flue gas

Amine-containing facilitated transport membranes can have both high permeability and selectivity due to the reversible reaction between CO 2 and amino groups for effective carbon capture from flue gas. In this study, we have developed an improved method for the synthesis of high-molecular-weight sterically hindered polyvinylamine (PVAm) as the new fixed-site carrier in thin-film composite membranes for CO 2 capture. Commercially available PVAm was N-monomethylated into poly-N-methyl-N-vinylamine (PVAm-CH 3 ) using the stepwise reductive amination with a highly polar fluorinated alcohol as the solvent to enhance the equilibrium shift to the formation of the imine intermediate. The method prevented over-alkylation, resulting in the increased yield of the target product. PVAm-CH 3 exhibited excellent CO 2 facilitation with a CO 2 permeability of 445.7 Barrer (1 Barrer = 3.349 x 10 –16 mol m m –2 s –1 Pa –1 ) and a CO 2 /N 2 selectivity of 70.3, which are above the Robeson 2008 upper bound. The PVAm-CH 3 solution retained a sufficiently high viscosity after incorporating the aminoacid salt, 2-(1-piperazinyl)ethylamine sarcosinate (PZEA-Sar), as the mobile carrier for the membrane coating on nanoporous polyethersulfone (PES) substrates without any penetration issues. The resultant thin-film composite PVAm-CH3/PZEA-Sar membrane with a thickness of approximately 170 nm exhibited a superior CO 2 performance of 1071 GPU (1 GPU = 3.349 x 10 –10 mol m –2 s –1 Pa –1 ) and a CO 2 /N 2 selectivity of 183 at 57°C and a feed gas pressure of 111.64 kPa (1.5 psig). This PVAm-CH 3 /PZEA-Sar membrane surpassed the latest redefined 2019 CO 2 /N 2 upper bound and outperformed other polymer-based membranes. Density functional theory calculations also demonstrated that PVAm-CH 3 showed a stronger preference, relative to PVAm, toward the more efficient bicarbonate pathway. Thus, the steric hindrance effect of PVAm-CH 3 enhanced the solubility of CO 2 in the polymer matrix and resulted in the higher CO 2 permeance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Comparison of the safety-related physical and combustion properties of liquid hydrogen and liquid natural gas in the context of the SF-BREEZE high-speed fuel-cell ferry

Here, we review liquid hydrogen (LH 2 ) as a maritime vessel fuel, from descriptions of its fundamental properties to its practical application and safety aspects, in the context of the San Francisco Bay Renewable Energy Electric Vessel with Zero Emissions (SF-BREEZE) high-speed fuel-cell ferry. Since marine regulations have been formulated to cover liquid natural gas (LNG) as a primary propulsion fuel, we frame our examination of LH 2 as a comparison to LNG, for both maritime use in general, and the SF-BREEZE in particular. Due to weaker attractions between molecules, LH 2 is colder than LNG, and evaporates more easily. We describe the consequences of these physical differences for the size and duration of spills of the two cryogenic fuels. The classical flammability ranges are reviewed, with a focus on how fuel buoyancy modifies these combustion limits. We examine the conditions for direct fuel explosion (detonation) and contrast them with initiation of normal (laminar) combustion. Direct fuel detonation is not a credible accident scenario for the SF-BREEZE. For both fuels, we review experiments and theory elucidating the deflagration to detonation transition (DDT). LH 2 fires have a shorter duration than energy-equivalent LNG fires, and produce significantly less thermal radiation. The thermal (infrared) radiation from hydrogen fires is also strongly absorbed by humidity in the air. Hydrogen permeability is not a leak issue for practical hydrogen plumbing. We describe the chemistry of hydrogen and methane at iron surfaces, clarifying their impact on steel-based hydrogen storage and transport materials. These physical, chemical and combustion properties are pulled together in a comparison of how a LH 2 or LNG pool fire on the Top Deck of the SF-BREEZE might influence the structural integrity of the aluminum deck. Neither pool fire scenario leads to net heating of the aluminum decking. Overall, LH 2 and LNG are very similar in their physical and combustion properties, thereby posing similar safety risks. For ships utilizing LH 2 or LNG, precautions are needed to avoid fuel leaks, minimize ignition sources, minimize confined spaces, provide ample ventilation for required confined spaces, and to monitor the enclosed spaces to ensure any fuel accumulation is detected far below the fuel/air mix threshold for any type of combustion.

08 HYDROGEN↗
DOE OSTI2025

Adsorptive behavior of poly (vinylidene fluoride) membranes for the recovery of lignin-derived hydrophobic deep eutectic solvents

Abstract Recently, membrane technology has gained significant traction as an energy-efficient alternative to traditional thermal processes for solvent recovery. Deep eutectic solvents (DESs) have emerged as sustainable alternatives to conventional organic solvents, yet a systematic methodology for selecting compatible membrane materials for their recovery remains underdeveloped. This study established a predictive framework for membrane material selection in hydrophobic DES applications using Hansen Solubility Parameters (HSP) with inverted criteria targeting materials with relative energy difference (RED) values greater than 1.0. Flat sheet membranes were fabricated via the non-solvent induced phase separation (NIPS) technique. Four NIPS fabricated polymer membranes were evaluated: polysulfone, cellulose acetate, polyvinylidene fluoride (PVDF) fabricated with polyethylene glycol (PEG) as a pore-forming agent, and polybenzimidazole (PBI). The HSP approach successfully predicted membrane-solvent compatibility, with polysulfone (RED = 0.6) and cellulose acetate (RED = 0.9) dissolving completely within 24 h, while PVDF (RED = 1.9) and PBI (RED = 1.1) maintained structural integrity throughout a 7-day exposure period. Furthermore, PVDF demonstrated superior performance with minimal weight gain (3.0%), hydrophobic surface characteristics (122° water contact angle), and enhanced mechanical properties following DES exposure. Comprehensive chemical and morphological characterization confirmed PVDF’s chemical stability and revealed a surface-selective interaction mechanism involving simultaneous PEG (pore-forming agent) extraction and DES component adsorption. Adsorption kinetics followed pseudo-first-order behavior with reversible characteristics, best described by the Temkin isotherm model (R² = 0.9987). PVDF membranes-maintained separation functionality with average lignin rejection (75.2 ± 7.69%) and demonstrated filtration permeability of 2.0 ± 0.34 LMH/bar. This methodology provides a rational approach for membrane selection in emerging solvent systems, contributing to the advancement of sustainable separation technologies for DES-based biomass processing applications.

Science & Technology - Other Topics↗
DOE OSTI2017

Experimental investigation of injection-induced fracturing during supercritical CO 2 sequestration

Leakage risk assessment is an inevitable procedure in permanent sequestration and storage of CO 2 in deep saline aquifers and depleted oil and gas reservoirs, where the integrity of caprock is most critical. Here, low porosity and low permeability concrete cubes were employed as caprock analogs to investigate the supercritical CO 2 injection-induced fracturing processes under true tri-axial stress conditions. A systematic experimental procedure, consisting of active acoustic emission measurement, pressure decay, injection pressure and temperature monitoring, fracture coloring, and gas fracturing, is formulated to qualitatively and quantitatively characterize the injection-induced fracturing processes and fracture morphology. Occurrence of injection-induced fracturing can be directly identified from peaks of borehole pressure profiles as well as sharp drops on temperature profiles due to CO 2 expansion, but generally there was no fracture propagation plateau appearing for the 20 cm rock cubes with zero pore pressure. Acoustic wave signatures, including both waveform change and arrival time delay, can effectively capture the extension of induced fractures inside the opaque rock. Initiation and propagation of supercritical CO 2 injection-induced fractures are highly dominated by the tri-axial stresses, following the general trend of continuum mechanics at high stress levels with large stress difference. As the stress difference decreases, induced fractures branch off in relatively arbitrary directions. For these supercritical CO 2 injection-induced fracturing experiments, poroelastic mechanics model makes a decent fit with the measured breakdown pressure of the caprock analogs. Findings in this study are valuable for risk analysis and operation optimization of geological CO 2 sequestration and storage as well as for CO 2 fracturing design and implementation in shale and tight reservoirs.

42 ENGINEERING↗
DOE OSTI2026

Synthesis, Characterization, and Testing of High-Lithium-Density Composite Breeders

Solid tritium breeder materials must first and foremost have sufficiently high concentrations of lithium to enable a plant-scale tritium breeding ratio greater than 1:1. However, in addition to lithium content, such breeder materials must also meet other performance metrics including high tritium release rates, thermal conductivities, and irradiation damage tolerance. Perhaps most importantly, tritium breeders must maintain their mechanical integrity during reactor operation so as to avoid degradation which can jeopardize the functionality of the tritium breeder blanket module, which in most designs takes the form of a pebble bed geometry. Unfortunately, the mechanical robustness of most lithium-bearing ceramics under investigation for fusion applications is often inversely related to the lithium atom density. For example, a material such as lithium oxide (Li2O), which has one of the highest lithium atom densities, has a much lower mechanical splitting strength than lithium metatitanate (Li2TiO3), though Li2TiO3 has less than half the lithium atom density of Li2O. This work seeks to provide an alternative to monolithic ceramic tritium breeders, in the form of metal-reinforced composite tritium breeders. Specifically, composite tritium breeders have been synthesized combining Li2O with various ferrous metal reinforcements via electric field assisted sintering (EFAS), also known as spark plasma sintering (SPS). As the metal reinforcement content is increased, metallic networks are observed, via electron microscopy and X-ray computed tomography, to form throughout the composite material. Through destructive mechanical testing, even dilute metal reinforcement loading enables drastic mechanical strength improvements over pure Li2O while higher loadings give rise to quasi-ductile behavior and higher ultimate strengths than Li2TiO3 – while still maintaining a higher density of lithium atoms than Li2TiO3 and many other breeder candidates. In addition to microstructural characterization and mechanical testing, thermal property measurements and hydrogen permeability testing are underway to further assess the suitability of such composites for fusion reactor applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Hydromechanical modelling to evaluate impact of fault structure on CO 2 migration in stacked storage system

Faulting processes produce a complex fault damage zone (FDZ) having permeability variations over several orders of magnitude within a very short distance. In this study we use an example normal fault system from a depleted oil field in southern Louisiana with multiple stacked sand beds along the fault structure. Geostatistical techniques are used to introduce heterogeneities of several orders of magnitude over very short distances that honor the across- and along-fault architecture of the system. A total of 15 cases are simulated to account for the impact of a fragmented core, an intact core and a naturally fractured core on inter-sand leakage rates. The presented results show the complex nature of CO 2 migration within the fault structure, where an interplay between overcoming the fault core’s high capillary entry pressure and stress propagation in the vertical direction dictates the leakage direction and rates. It is observed that hydromechanical evolution of fracture flow properties may result in significant leakage from the storage zone. In one case with small caprock thickness, a loss of 18% of the total injected mass is observed. The results presented highlight some unique features of representative fault related leakage in stacked sand systems and thus will be beneficial for storage integrity analysis in these systems.

58 GEOSCIENCES↗
DOE OSTI2014

Generation, characterization and in vivo biological activity of two distinct monoclonal anti-PEG IgMs

PEGylation, the attachment of polyethylene glycol (PEG) to nanocarriers and proteins, is a widely accepted approach to improving the in vivo efficacy of the non-PEGylated products. However, both PEGylated liposomes and PEGylated proteins reportedly trigger the production of specific antibodies, mainly IgM, against the PEG moiety, which possibly leads to a reduction in safety and therapeutic efficacy of the PEGylated products. In the present study, two monoclonal anti-PEG IgMs — HIK-M09 via immunization with an intravenous injection of PEGylated liposomes (SLs) and HIK-M11 via immunization with a subcutaneous administration of PEGylated ovalbumin (PEG-OVA) were successfully generated. The generated IgMs showed efficient reactivity to mPEG{sub 2000} conjugated to 1,2-distearoyl-sn-glycero-3-phospho-ethanolamine (DSPE), PEGylated liposome (SL) and PEG-OVA. It appears that HIK-M09 recognizes ethoxy (OCH{sub 2}CH{sub 2}) repeat units along with a terminal motif of PEG, while HIK-M11 recognizes only ethoxy repeat units of PEG. Such unique properties allow HIK-M09 to bind with dense PEG. In addition, their impact on the in vivo clearance of the PEGylated products was investigated. It was found that the generated ant-PEG IgMs induced a clearance of SL as they were intravenously administered with SL. Interestingly, the HIK-M11, generated by PEG-OVA, induced the clearance of both SL and PEG-OVA, while the HIK-M09, generated by SL, induced the clearance of SL only. We here revealed that the presence of serum anti-PEG IgM and the subsequent binding of anti-PEG IgM to the PEGylated products are not necessarily related to the enhanced clearance of the products. It appears that subsequent complement activation following anti-PEG IgM binding is the most important step in dictating the in vivo fate of PEGylated products. This study may have implications for the design, development and clinical application of PEGylated products and therapeutics. - Highlights: • Two monoclonal anti-PEG IgMs were generated against distinct PEGylated materials. • In vivo cross-reactivity to the immunized materials was limited. • Although in vitro cross-reactivity of generated monoclonal IgMs has been confirmed.

60 APPLIED LIFE SCIENCES↗