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DOE OSTI2016

Gas adsorption capacity of wood pellets

In this paper, temperature-programmed desorption (TPD) analysis was used to measure and analyze the adsorption of off-gases and oxygen by wood pellets during storage. Such information on how these gases interact with the material helps in the understanding of the purging/stripping behavior of off-gases to develop effective ventilation strategies for wood pellets. Steam-exploded pellets showed the lowest carbon dioxide (CO 2 ) uptake compared to the regular and torrefied pellets. The high CO 2 adsorption capacity of the torrefied pellets could be attributed to their porous structure and therefore greater available surface area. Quantifying the uptake of carbon monoxide by pellets was challenging due to chemical adsorption, which formed a strong bond between the material and carbon monoxide. The estimated energy of desorption for CO (97.8 kJ/mol) was very high relative to that for CO 2 (7.24 kJ/mol), demonstrating the mechanism of chemical adsorption and physical adsorption for CO and CO 2 , respectively. As for oxygen, the strong bonds that formed between the material and oxygen verified the existence of chemical adsorption and formation of an intermediate material.

09 BIOMASS FUELS↗

DOE OSTI2017

Numerical investigation of a joint approach to thermal energy storage and compressed air energy storage in aquifers

Different from conventional compressed air energy storage (CAES) systems, the advanced adiabatic compressed air energy storage (AA-CAES) system can store the compression heat which can be used to reheat air during the electricity generation stage. Thus, AA-CAES system can achieve a higher energy storage efficiency. Similar to the AA-CAES system, a compressed air energy storage in aquifers (CAESA) system, which is integrated with an aquifer thermal energy storage (ATES) could possibly achieve the same objective. In order to investigate the impact of ATES on the performance of CAESA, different injection air temperature schemes are designed and analyzed by using numerical simulations. Key parameters relative to energy recovery efficiencies of the different injection schemes, such as pressure distribution and temperature variation within the aquifers as well as energy flow rate in the injection well, are also investigated in this study. The simulations show that, although different injection schemes have a similar overall energy recovery efficiency (~97%) as well as a thermal energy recovery efficiency (~79.2%), the higher injection air temperature has a higher energy storage capability. Our results show the total energy storage for the injection air temperature at 80 °C is about 10% greater than the base model scheme at 40 °C. Sensitivity analysis reveal that permeability of the reservoir boundary could have significant impact on the system performance. However, other hydrodynamic and thermodynamic properties, such as the storage reservoir permeability, thermal conductivity, rock grain specific heat and rock grain density, have little impact on storage capability and the energy flow rate. Our study suggests that the combination of ATES and CAESA can help keep the high efficiency of energy storage so as to make CAESA system more efficiency.

25 ENERGY STORAGE↗

DOE OSTI2016

Superhydrophobic and superhydrophilic surface-enhanced separation performance of porous inorganic membranes for biomass-to-biofuel conversion applications

A new class of inorganic-based membranes, i.e., High-Performance Architectured Surface Selective (HiPAS) membranes, is introduced to provide high perm-selective flux by exploiting unique separation mechanisms induced by superhydrophobic or superhydrophilic surface interactions and confined capillary condensation in enlarged membrane pores (~8 nm). The super-hydro-tunable HiPAS membranes were originally developed for the purpose of bio-oil/biofuel processing to achieve selective separations at higher flux relative to size selective porous membranes (e.g., inorganic zeolite-based membranes) and better high-temperature tolerance than polymer membranes (>250 C) for hot vapor processing. Due to surface-enhanced separation selectivity, HiPAS membranes can thus possibly enable larger pores to facilitate large-flux separations by increasing from sub-nanometer pores to mesopores (2-50 nm) for vapor phase or micron-scale pores for liquid phase separations. In this paper, we describe an innovative membrane concept and a materials synthesis strategy to fabricate HiPAS membranes, and demonstrate selective permeation in both vapor- and liquid-phase applications. High permeability and selectivity were demonstrated using surrogate mixtures, such as ethanol-water, toluene-water, and toluene-phenol-water. The overall membrane evaluation results show promise for the future processing of biomass pyrolysis and upgraded product vapors and condensed liquid bio-oil intermediates.

09 BIOMASS FUELS↗

NASA NTRS2010

Carbon Dioxide Control System for a Mars Space Suit Life Support System

Carbon dioxide (CO2) control during Extravehicular Activities (EVAs) on Mars will be challenging. Lithium hydroxide (LiOH) canisters have impractical logistics penalties, and regenerable metal oxide (MetOx) canisters weigh too much. Cycling bed systems and permeable membranes that are regenerable in space vacuum cannot vent on Mars due to the high partial pressure of CO2 in the atmosphere. Although sweep gas regeneration is under investigation, the feasibility, logistics penalties, and failure modes associated with this technique have not been fully determined. TDA Research, Inc. is developing a durable, high-capacity regenerable adsorbent that can remove CO2 from the space suit ventilation loop. The system design allows sorbent regeneration at or above 6 torr, eliminating the potential for Martian atmosphere to leak into the regeneration bed and into the ventilation loop. Regeneration during EVA eliminates the consumable requirement related to the use of LiOH canisters and the mission duration limitations imposed by MetOx system. The concept minimizes the amount of consumable to be brought from Earth and makes the mission more affordable, while providing great operational flexibility during EVA. The feasibility of the concept has been demonstrated in a series of bench-scale experiments and a preliminary system analysis. Results indicate that sorbent regeneration can be accomplished by applying a 14 C temperature swing, while regenerating at 13 torr (well above the Martian atmospheric pressure), withstanding over 1,000 adsorption/regeneration cycles. This paper presents the latest results from these sorbent and system development efforts.

Alptekin, Gokhan↗

NASA NTRSDate not supplied

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

Introduction The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗

NASA NTRSDate not supplied

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗

NASA NTRSDate not supplied

Multiplanar Synthetic Arrays and Their Application to Full-Scale Landing Gear Noise Source Identification

Identification and quantification of noise sources generated by the landing gears of large civil transports are critical for the development of viable abatement technologies that can be applied locally to affect solely the source regions. Leveraging validated computational data sets obtained from airframe noise simulations of a full-scale B777-300ER aircraft, a frame-work based on multiplanar synthetic arrays was developed to examine landing gear sources. The position of the arrays relative to the aircraft nose or main landing gears, the number of microphones in each array, and their distribution pattern were judiciously selected to provide adequate spatial resolution of the sources in the primary flyover, sideline, and upstream directions while maintaining reasonable signal-to-noise ratio and beamwidth over a wide frequency range. Overall, seven synthetic arrays with 800 microphones each, for a total of 5,600 microphones, were used in the framework. Fully synchronous synthetic pressure records at each microphone location were obtained from the simulated data sets via a Ffowcs-Williams and Hawkings integral approach, with flow quantities on a permeable data surface enclosing the source regions used as input. Various applications of synthetic multiplanar arrays to acoustic data analysis are presented; the advantages of the framework in properly resolving and identifying the B777 landing gear sources is demonstrated by comparing three-dimensional source distribution maps with those obtained from a synthetic version of the ground-based microphone array used during flight tests of the same aircraft.

airframe noise↗

DOE OSTI2021

Combination therapy with lenvatinib and radiation significantly inhibits thyroid cancer growth by uptake of tyrosine kinase inhibitor

Highlights: • Lenvatinib combined with radiation significantly inhibits thyroid cancer growth. • Combined therapy induced apoptosis and G2/M phase cell cycle arrest. • Irradiation increased cellular uptake of lenvatinib into cancer cells. • Combined therapy suggests a new therapeutic strategy for advanced thyroid cancer. Although surgical treatment cures >90% of differentiated thyroid cancer (DTC) patients, the remaining patients, including advanced DTC cases, have poor clinical outcomes. These patients with inoperable disease have only two choices of radioactive iodine therapy and tyrosine kinase inhibitors such as lenvatinib, which have a high incidence of treatment-related adverse events and can only prolong progression free survival by approximately 5–15 months. In this study, we investigated the antitumor effects of combination therapy with lenvatinib and radiation (CTLR) for DTC. CTLR synergistically inhibited cell replication and colony formation in vitro and tumor growth in nude mice without apparent toxicities and suppressed the expression of proliferation marker (Ki-67). CTLR also induced apoptosis and G2/M phase cell cycle arrest. Moreover, quantitative analysis of the intracellular uptake of lenvatinib using liquid chromatography and mass spectrometry demonstrated that intracellular uptake of lenvatinib was significantly increased 48 h following irradiation. These data suggest that increased membrane permeability caused by irradiation increases the intracellular concentration of levatinib, contributing to the synergistic effect. This mechanism-based potential of combination therapy suggests a powerful new therapeutic strategy for advanced thyroid cancer with fewer side effects and might be a milestone for developing a regimen in clinical practice.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2018

Mechanical properties and durability performance of concretes with Limestone Calcined Clay Cement (LC3)

The adoption of any binder system for structural concrete depends on the performance characteristics desired for addressing the long-term deformation and durability concerns. The major properties influencing the performance includes the shrinkage characteristics governing the long-term deformation, and durability characteristics related to various transport mechanisms, governing the performance in different service conditions. This paper describes the potential of Limestone Calcined Clay Cement (LC{sup 3}) for use in structural concrete in comparison with Ordinary Portland Cement (OPC) and fly ash based blended cement (FA30). Three types of concrete mixtures were designed for the study, two based on achieving an equivalent strength grade (M30 and M50 concrete grade) with each binder, and the third with equal binder content and w/b ratio. Mechanical properties such as compressive strength and elastic modulus, and autogenous and drying shrinkage, along with various durability parameters of the different concretes were assessed. Oxygen permeability, rapid chloride penetration, chloride migration, resistivity development and water sorptivity were the various parameters considered for evaluation of durability performance. The results indicate the superiority of LC{sup 3} binder over other binders in producing durable concrete, especially in a chloride laden environment. The major reason for the better performance was attributed to the more compact and dense microstructure of the system with the LC{sup 3} binder against OPC and FA30. The drying shrinkage performance was seen to be similar for concrete with all three binders.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Optimal well placement and brine extraction for pressure management during CO 2 sequestration

Large-scale pressure increases resulting from carbon dioxide (CO 2 ) injection in the subsurface can potentially impact caprock integrity, induce reactivation of critically stressed faults, and drive CO 2 or brine through conductive features into shallow groundwater. Pressure management involving the extraction of native fluids from storage formations can be used to reduce such pressure increases. However, dealing with large volumes of extracted brine can be technically challenging and expensive. Selection of optimal well locations and pumping rates are critical for maximizing CO 2 storage and minimizing brine extraction during geologic CO 2 sequestration (GCS). Robust and efficient computerized algorithms combining reservoir models and optimization methods are needed to make proper decisions on well placement and pumping rates. This work presents a constrained differential evolution (CDE) algorithm for solving global optimization problems involving pressure management of GCS projects. Application of the CDE optimization methodology was demonstrated for a hypothetical CO 2 storage scenario in a deep sandstone reservoir in the Southern San Joaquin Basin in California, USA. Industrial-scale storage of CO 2 would generate significant pressure buildup in this formation, which in turn would raise concerns about induced seismicity due to presence of multiple faults surrounding the injection site. Through the CDE optimization algorithm coupled to a vertically-averaged reservoir simulator, we successfully estimated optimal solutions for brine extraction wells in the reservoir that would limit the local pressure along the faults to a prescribed threshold. Multiple realizations of the reservoir permeability field were created to understand the impact of reservoir heterogeneity on optimization results. Our results indicate that the reservoir slope and heterogeneity have significant impact on optimum extraction rates. Reservoir heterogeneity is also a significant factor for extraction well locations, suggesting that in practice decisions about extraction well placement through optimization should be made at later project stages when data from a few years of CO 2 injection have allowed iterative updating and refining of the reservoir forward models. Although the study focused on optimization of brine extraction, the CDE optimization methodology presented in this paper has also potential to solve other complex optimization problems related to GCS, such as increasing storage efficiency by enhancing injectivity and capillary and dissolution trapping.

58 GEOSCIENCES↗

DOE OSTI2017

Numerical analysis of downhole heat exchanger designed for geothermal energy production

A traditional way of geothermal energy production implies hot brine extraction from the reservoir to a surface facility. This method is economically profitable only for high enthalpy reservoirs associated with shallow depths and high temperatures. The low enthalpy geothermal (LEG) projects are out of consideration due to the high cost of produced electric power related to expensive drilling, cost of the binary cycle system, and long term installation cost. This paper presents a new zero mass extraction method utilizing downhole heat exchanger (DHE) with no geo-fluid production to the surface. The well design stays as a single horizontal well with coupled production and injection sections. The brine pump is located between the sections providing hot brine circulation through the DHE. The coupled fluid flow and heat transfer mathematical model was developed and simulated using nodal analysis method. The LEG reservoir prototype located in South Louisiana was used to study several cases of the DHE lengths, inclination angles, reservoir permeabilities, and flow rates optimization. According to the analysis, the power unit is able to provide 160 kW of net electric power with CO2 working fluid circulating inside a single lateral well. Increasing the reservoir temperature and the number of laterals, the available power production rises up to 600 kW with an attractive electricity cost of $21.84/MWh at 7000 m well depth. This methods opens a new prospective for the depleted petroleum wells converting them to the electricity production units.

15 GEOTHERMAL ENERGY↗

DOE OSTI2015

Multiphase Modeling of Geologic Carbon Sequestration in Saline Aquifers

Abstract Geologic carbon sequestration ( GCS ) is being considered as a climate change mitigation option in many future energy scenarios. Mathematical modeling is routinely used to predict subsurface CO 2 and resident brine migration for the design of injection operations, to demonstrate the permanence of CO 2 storage, and to show that other subsurface resources will not be degraded. Many processes impact the migration of CO 2 and brine, including multiphase flow dynamics, geochemistry, and geomechanics, along with the spatial distribution of parameters such as porosity and permeability. In this article, we review a set of multiphase modeling approaches with different levels of conceptual complexity that have been used to model GCS . Model complexity ranges from coupled multiprocess models to simplified vertical equilibrium (VE) models and macroscopic invasion percolation models. The goal of this article is to give a framework of conceptual model complexity, and to show the types of modeling approaches that have been used to address specific GCS questions. Application of the modeling approaches is shown using five ongoing or proposed CO 2 injection sites. For the selected sites, the majority of GCS models follow a simplified multiphase approach, especially for questions related to injection and local‐scale heterogeneity. Coupled multiprocess models are only applied in one case where geomechanics have a strong impact on the flow. Owing to their computational efficiency, VE models tend to be applied at large scales. A macroscopic invasion percolation approach was used to predict the CO 2 migration at one site to examine details of CO 2 migration under the caprock.

Bandilla, Karl W.↗

DOE OSTI2025

Long-term hydro-economic analysis tool for evaluating global groundwater cost and supply: Superwell v1.1

Abstract. Groundwater plays a key role in meeting water demands, supplying over 40 % of irrigation water globally, with this role likely to grow as water demands and surface water variability increase. A better understanding of the future role of groundwater in meeting sectoral demands requires an integrated hydro-economic evaluation of its cost and availability. Yet substantial gaps remain in our knowledge and modeling capabilities related to groundwater availability, recharge, feasible locations for extraction, extractable volumes, and associated extraction costs, which are essential for large-scale analyses of integrated human–water system scenarios, particularly at the global scale. To address these needs, we developed Superwell, a physics-based groundwater extraction and cost accounting model that operates at sub-annual temporal and at the coarsest 0.5° (≈50 km × 50 km) gridded spatial resolution with global coverage. The model produces location-specific groundwater supply–cost curves that provide the levelized cost to access different quantities of available groundwater. The inputs to Superwell include recent high-resolution hydrogeologic datasets of permeability, porosity, aquifer thickness, depth to water table, recharge, and hydrogeological complexity zones. It also accounts for well capital and maintenance costs, as well as the energy costs required to lift water to the surface. The model employs a Theis-based scheme coupled with an amortization-based cost accounting formulation to simulate groundwater extraction and quantify the cost of groundwater pumping. The result is a spatiotemporally flexible, physically realistic, economics-based model that produces groundwater supply–cost curves. We show examples of these supply–cost curves and the insights that can be derived from them across a set of scenarios designed to explore model outcomes. The supply–cost curves produced by the model show that most (90 %) nonrenewable groundwater in storage globally is extractable at costs lower than USD 0.57 m−3, while half of the volume remains extractable at under USD 0.108 m−3. The global unit cost is estimated to range from a minimum of USD 0.004 m−3 to a maximum of USD 3.971 m−3. We also demonstrate and discuss examples of how these cost curves could be used by linking Superwell's outputs with other models to explore coupled human–environmental system challenges, such as water resources planning and management, or broader analyses of multisectoral feedbacks.

Global Change Analysis Model (GCAM)↗

NASA NTRS1997

The Age of the Surface of Venus

Impact craters on Venus appear to be uniformly and randomly scattered over a once, but no longer, geologically active planet. To first approximation, the planet shows a single surface of a single age. Here we use Monte Carlo cratering simulations to estimate the age of the surface of Venus. The simulations are based on the present populations of Earth-approaching asteroids, Jupiter-family, Halley-family, and long period comets; they use standard Schmidt-Housen crater scalings in the gravity regime; and they describe interaction with the atmosphere using a semi-analytic 'pancake' model that is calibrated to detailed numerical simulations of impactors striking Venus. The lunar and terrestrial cratering records are also simulated. Both of these records suffer from poor statistics. The Moon has few young large craters and fewer still whose ages are known, and the record is biased because small craters tend to look old and large craters tend to look young. The craters of the Earth provide the only reliable ages, but these craters are few, eroded, of uncertain diameter, and statistically incomplete. Together the three cratering records can be inverted to constrain the flux of impacting bodies, crater diameters given impact parameters, and the calibration of atmospheric interactions. The surface age of Venus that results is relatively young. Alternatively, we can use our best estimates for these three input parameters to derive a best estimate for the age of the surface of Venus. Our tentative conclusions are that comets are unimportant, that the lunar and terrestrial crater records are both subject to strong biases, that there is no strong evidence for an increasing cratering flux in recent years, and that that the nominal age of the surface of Venus is about 600 Ma, although the uncertainty is about a factor of two. The chief difference between our estimate and earlier, somewhat younger estimates is that we find that the venusian atmosphere is less permeable to impacting bodies than supposed by earlier studies. An older surface increases the likelihood that Venus is dead.

Zahnle, K. J.↗

DOE OSTI2022

Subsurface stress criticality associated with fluid injection and determined using machine learning

Machine-learning methods and apparatus are disclosed to determine critical state or other parameters related to fluid-driven failure of a terrestrial locale impacted by anthropogenic activities such as hydraulic fracturing, hydrocarbon extraction, wastewater disposal, or geothermal harvesting. Acoustic emission, seismic waves, or other detectable indicators of microscopic processes are sensed. A classifier is trained using time series of microscopic data along with corresponding data of critical state or failure events. In disclosed examples, random forests and artificial neural networks are used, and grid-search or EGO procedures are used for hyperparameter tuning. Once trained, the classifier can be applied to live data from a fluid injection locale in order to assess a frictional state, assess seismic hazard, assess permeability, make predictions regarding a future fluid-driven failure event, or drive engineering solutions for mitigation or remediation. Variations are disclosed.

Johnson, Paul Allan↗

DOE OSTI2021

Understanding interfacial chemistry of positive bias high-voltage degradation in photovoltaic modules

Photovoltaic module degradation from a high system voltage is a prevalent degradation mode in the field, where the enabling degradation mechanisms are inherently dependent on the voltage bias polarity of the installed system. In this study, the effects of positive bias on module performance are confirmed and the underlying chemical degradation processes are more thoroughly investigated to reveal different degradation pathways from those previously reported in negative bias studies. When cells are under +1000 V stress, crystalline silicon mini-modules with poly(ethylene-co-vinyl acetate) (EVA) encapsulant demonstrated a significant photocurrent loss due to EVA discoloration and delamination from increased chemical reactivity at the front-side EVA/cell metallization interface. Brown discoloration of the EVA encapsulant near the cell gridlines is linked to an electrochemical reaction at the Ag gridlines under hot and humid conditions (85 °C, 85% relative humidity). Chemical compositional analysis using X-ray photoelectron spectroscopy (XPS) confirmed that the discoloration is attributed to the formation of silver sulfide (Ag 2 S) and/or silver oxide (Ag 2 O) species at the EVA/Ag gridline interface. The subsequent migration of Ag ions from the cell gridlines into the bulk of the EVA was evident from XPS depth profiling and optical microscopy. However, the Ag signal was not detected at the EVA/glass interface, inferring limited ionic transport through the nominally 0.45 mm thick encapsulant. For the samples studied herein, the sulfur is believed by the process of elimination to come from the ambient air, diffusing into the module through the permeable polymer backsheet.

14 SOLAR ENERGY↗

DOE OSTI2018

Effects of intracellular iron overload on cell death and identification of potent cell death inhibitors

Highlights: • Ferric ammonium citrate induced intracellular iron overload causes ferroptosis. • Protein 3-phosphoinositide-dependent kinase 1 inhibitor GSK2334470 is a potent ferroptosis inhibitor. • Iron/8-hydroxyquinoline complex induced intracellular iron overload partially activates parthanatos. • Plenty of phenolic compounds prevent Fe-8HQ induced cell death by scavenging reactive oxygen species. Iron overload causes many diseases, while the underlying etiologies of these diseases are unclear. Cell death processes including apoptosis, necroptosis, cyclophilin D-(CypD)-dependent necrosis and a recently described additional form of regulated cell death called ferroptosis, are dependent on iron or iron-dependent reactive oxygen species (ROS). However, whether the accumulation of intracellular iron itself induces ferroptosis or other forms of cell death is largely elusive. In present study, we study the role of intracellular iron overload itself-induced cell death mechanisms by using ferric ammonium citrate (FAC) and a membrane-permeable Ferric 8-hydroxyquinoline complex (Fe-8HQ) respectively. We show that FAC-induced intracellular iron overload causes ferroptosis. We also identify 3-phosphoinositide-dependent kinase 1 (PDK1) inhibitor GSK2334470 as a potent ferroptosis inhibitor. Whereas, Fe-8HQ-induced intracellular iron overload causes unregulated necrosis, but partially activates PARP-1 dependent parthanatos. Interestingly, we identify many phenolic compounds as potent inhibitors of Fe-8HQ-induced cell death. In conclusion, intracellular iron overload-induced cell death form might be dependent on the intracellular iron accumulation rate, newly identified cell death inhibitors in our study that target ferroptosis and unregulated oxidative cell death represent potential therapeutic strategies against iron overload related diseases.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Integrated simulations of CO 2 spreading and pressure response in the multilayer saline aquifer of South Scania Site, Sweden

In this paper, an integrated modeling approach/workflow, in which a series of mathematical models of different levels of complexity are applied to evaluate the geological storage capacity of the Scania Site, southwest Sweden, is presented. The storage formation at the site is a layered formation limited by bounding fault zones, and injection is assumed to take place from one existing deep borehole into all layers. A semi-analytical model for two-phase flow is first used to evaluate the pressure response and related parameter sensitivity, as well as the first estimates of acceptable injection rates. These results are then used to guide the more detailed numerical simulations that address both pressure response and plume migration. The vertical equilibrium (VE) model is used to obtain a preliminary understanding of the plume migration with a larger number of simulations. Finally the full TOUGH2/ECO2N simulations are performed for the most detailed analyses of pressure responses and plume migration. Throughout, the results of the different modeling approaches are compared to each other. It is concluded that the key limiting factor for the storage capacity at the site in the injection scenario considered is the fast CO 2 migration within the high permeability layer. Finally, future studies can address alternative injection scenarios, including using horizontal injection wells and injection to other layers than the high permeability layer.

54 ENVIRONMENTAL SCIENCES↗