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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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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Effects of natural zeolites on field-scale geologic noble gas transport

Improving predictive models for noble gas transport through natural materials at the field-scale is an essential component of improving US nuclear monitoring capabilities. Several field-scale experiments with a gas transport component have been conducted at the Nevada National Security Site (Non-Proliferation Experiment, Underground Nuclear Explosion Signatures Experiment). However, the models associated with these experiments have not treated zeolite minerals as gas adsorbing phases. This is significant as zeolites are a common alteration mineral with a high abundance at these field sites and are shown here to significantly fractionate noble gases during field-scale transport. This fractionation and associated retardation can complicate gas transport predictions by reducing the signal-to-noise ratio to the detector (e.g. mass spectrometers or radiation detectors) enough to mask the signal or make the data difficult to interpret. Omitting adsorption-related retardation data of noble gases in predictive gas transport models therefore results in systematic errors in model predictions where zeolites are present.Herein is presented noble gas adsorption data collected on zeolitized and non-zeolitized tuff. Experimental results were obtained using a unique piezometric adsorption system designed and built for this study. Data collected were then related to pure-phase mineral analyses conducted on clinoptilolite, mordenite, and quartz. These results quantify the adsorption capacity of materials present in field-scale systems, enabling the modeling of low-permeability rocks as significant sorption reservoirs vital to bulk transport predictions.

58 GEOSCIENCES↗
DOE OSTI2023

Facile Metal Release from Pore-Lining Phases Enables Unique Carbonate Zonation in a Basalt Carbon Mineralization Demonstration

Carbon-negative strategies such as geologic carbon sequestration in continental flood basalts offers a promising route to the removal of greenhouse gases, such as CO 2 , via safe and permanent storage as stable carbonates. This potential has been successfully demonstrated at a field scale at the Wallula Basalt Carbon Storage Pilot Project where supercritical CO 2 was injected into the Columbia River Basalt Group (CRBG). Here, we analyze recovered post-injection sidewall core cross-sections containing carbonate nodules using μ-XRF chemical mapping techniques that revealed compositional zonation within the nodules. The unique nature of the subsurface anthropogenic carbonates is highlighted by the near absence of Mg in an ankerite-like composition. Furthermore, a comparison between pre- and post-injection sidewall cores along with an in-depth chemical mapping of basalt pore lining cements provides a better understanding into the source and fate of critical cationic species involved in the precipitation of carbon mineralization products. Collectively, these results provide crucial insights into carbonate growth mechanisms under a time-dependent pore fluid composition. Finally, as such, these findings will enable parameterization of predictive models for future CO 2 sequestration efforts in reactive reservoirs around the world.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Coordination-Induced Weakening of N–H Bonds Driven by Bimetallic Cooperativity in Zr/Co Compounds

The bond dissociation free energy (BDFE) of the element-hydrogen bonds of protic substrates have been found to decrease upon metal coordination. Herein, an early/late heterobimetallic complex is used to examine the impact on the BDFE N−H when the substrate binding site and the redox-active site are two different metals that are spatially separated. A tris- (phosphinoamide) framework is used to link a d 0 ZrIV center with an accessible substrate binding site to a coordinatively saturated redox-active Co center, which serves as an appended electron reservoir. A series of aniline, amido, and imido Zr/Co model compounds were synthesized starting from the Zr IV /Co −I aniline adduct PhH 2 N−Zr(MesNP i Pr 2 ) 3 CoCN t Bu (2). 2,4,6-tristert- butylphenoxyl radical ( t Bu 3 ArO • ) was used to abstract one or two H atoms and produce the amido and imido complexes PhHNZr( MesNP i Pr 2 ) 3 CoCN t Bu (3) and PhN≡Zr(MesNP i Pr 2 ) 3 CoCNtBu (4), respectively. Using open-circuit potential measurements, the BDFE N−H within 2 and 3 were determined to be 37 kcal/mol (2) and 55 kcal/mol (3). Cyclic voltammetry measurements were conducted to determine the Co I/0 and Co 0/−I redox potentials. The pK a s were then estimated using the Bordwell equation to provide further insight into the thermochemical aspects of the observed proton coupled electron transfer (PCET) reactions.

Bond dissociation free energy↗
DOE OSTI2020

Global Heat Uptake by Inland Waters

Heat uptake is a key variable for understanding the Earth system response to greenhouse gas forcing. Despite the importance of this heat budget, heat uptake by inland waters has so far not been quantified. Here we use a unique combination of global-scale lake models, global hydrological models and Earth system models to quantify global heat uptake by natural lakes, reservoirs and rivers. The total net heat uptake by inland waters amounts to 2.6+/-3.2x10 20 J over the period 1900-2020, corresponding to 3.6% of the energy stored on land. The overall uptake is dominated by natural lakes (111.7%), followed by reservoir warming (2.3%). Rivers contribute negatively (-14%) due to a decreasing water volume. The thermal energy of water trapped on land due to reservoir construction exceeds inland water heat uptake by a factor ~10.4. This first quantification underlines that the heat uptake by inland waters is small, but not negligible.

58 GEOSCIENCES↗
DOE OSTI2021

Orbitally selective resonant photodoping to enhance superconductivity

Signatures of superconductivity at elevated temperatures above T c in high-temperature superconductors have been observed near 1/8 hole doping for photoexcitation with infrared or optical light polarized either in the CuO 2 plane or along the c axis. While the use of in-plane polarization has been effective for incident energies aligned to specific phonons, c-axis laser excitation in a broad range between 5 μm and 400 nm was found to affect the superconducting dynamics in striped La 1.88 5Ba 0.115 CuO 4 , with a maximum enhancement in the 1/ω dependence to the conductivity observed at 800 nm. This broad energy range, specifically 800 nm, is not resonant with any phonon modes, yet induced electronic excitations appear to be connected to superconductivity at energy scales well above the typical gap energies in the cuprates. A critical question is, What can be responsible for such an effect at 800 nm? Using time-dependent exact diagonalization, we demonstrate that the holes in the CuO 2 plane can be photoexcited into the charge reservoir layers at resonant wavelengths within a multiband Hubbard model. This orbitally selective photoinduced charge transfer effectively changes the in-plane doping level, which can lead to an enhancement of T c near the 1/8 anomaly.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Alabama Carbon Storage: Bringing Data to the People

The Gulf Coastal Plain of Alabama has proven potential for geologic carbon storage and current interest in the area for large carbon capture and storage (CCS) projects is high. Extensive CCS relevant data exist in the records of the Geological Survey of Alabama and State Oil and Gas Board of Alabama, however, most of this data is not publicly available or is scattered in separate databases, file cabinets, and tables in publications. The “Alabama Carbon Storage: Data Sharing and Engagement” (ACS-DSE) project seeks to accelerate the responsible development of large CCS projects in the Gulf Coastal Plain of Alabama and offshore in state waters through a publicly accessible database of geologic carbon storage models and data across the region. The ACS-DSE draws on the over 150 years of geologic research and over 20 years of experience in CCS research to place relevant geologic, geophysical, and infrastructure data on a single web platform. Datasets available will include formation depths and elevations, geologic structures, reservoir properties, digital well logs (LAS files), existing penetrations, and geologic models. In addition to downloadable datasets, links to CCS related regulatory agencies and other sources of information will be included (for example, Class VI UIC permitting regulations and pipeline regulations). By making these datasets and models available in commonly used formats on a public website, the project will increase transparency in decision making and decrease the data acquisition time for industry.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Sand Migration Simulation during Gas Production from Gas Hydrate Reservoir at Kuparuk 7–11–12 site in the Prodhoe Bay Unit, Alaska

Uncontrolled sand production impedes continuous gas production from a hydrate reservoir as observed in the past field-scale gas production tests. Sand mobilization is strongly linked with sediment deformation and high pressure gradient. Sand production occurs when the mobilized sands reach the well. Throughout gas production from a hydrate reservoir, because of hydrate dissociation, deformation and pressure gradient change both in time and space. Therefore, it is necessary to consider the entire process to identify where sand is likely mobilized and how much mobilized sand could reach the well. Here, this study utilizes a coupled thermal, hydrological, chemical, and mechanical (thermo-hydro-chemo-mechanical) sand migration model to simulate a year long gas production from the hydrate reservoir at the Kuparuk 7–11–12 site in the Prodhoe Bay Unit, Alaska. It is found that sand would mainly come from the lower portion of the production zone where faster hydrate dissociation occurs. The relatively faster hydrate dissociation coupled with the fact that hydrate-bearing sediments and hydrate-free sediments have similar stiffness but different strengths causes complex stress transfer, which results in excessive shear deformation when the upper portion of the production zone starts to dissociate. This is evident not only near the well but also away from the well, leading to a large amount of sand mobilization. Another focus of the modeling study is evaluation of the effect of sand migration on gas production. The comparison of two extreme cases–with sandscreen and without sandscreen–suggests that migrated and settled solids around a sand control device can prevent pressure drop across the near-wellbore zone and lead to reduction of the gas production rate.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

CO 2 zonal injection rate allocation and plume extent evaluation through wellbore temperature analysis

Temperature analysis during a pause in injection operations, known as warmback analysis, has been used in the petroleum industry for evaluating the injection conformance and estimating the location of the flooded front in applications, such as waterflooding oil reservoirs. Here in this work, methods are introduced to extend the application of temperature warmback analysis to estimate the zonal CO 2 injection rate and zonal CO 2 plume extent during geologic CO 2 storage in a saline aquifer. First, novel analytical solutions are developed to model transient temperature in the aquifer during the injection and subsequent shut-in periods considering two-phase flow (gaseous CO 2 and aqueous brine) conditions in the aquifer. The solution involves a discretization of the aquifer into regions; the energy and mass conservation equations for the regions are solved simultaneously considering appropriate boundary conditions at the interfaces. Two solutions techniques are presented: multi-region and three-region solutions. Inverse models are developed accordingly to evaluate the injection profile and estimate the extent of the plume front in the reservoir during the injection period. The multi-region solution results in an inversion approach that requires regression analysis. However, the three-region formulation results in a simple graphical technique for inverse modeling. The analytical solutions are validated against a thermally coupled reservoir simulation tool using different synthetic cases for CO 2 injection in deep saline aquifers. The results of the developed solutions provide a good match with numerical results during forward and inverse modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

mosartwmpy sample input data; 1980 - 1985

Sample input data spanning the years 1980-1985 for running the `mosartwmpy` water routing and management model: https://github.com/IMMM-SFA/mosartwmpy. More information is available in the README.md. Changelog: v0.0.6: updates reservoir parameters to indicate which reservoirs should follow generic operating rules and which should follow ISTARF data-driven operating rules. v0.0.5: adds supporting files for running the Farmer Agent Based Model of adaptive water demand.

Rexer, Emily↗
DOE OSTI2023

mosartwmpy sample input data; 1980 - 1985

Sample input data spanning the years 1980-1985 for running the `mosartwmpy` water routing and management model: https://github.com/IMMM-SFA/mosartwmpy. More information is available in the README.md. Changelog: v0.0.7: new reservoir files with corrected locations based on an exhaustive review by Dan Broman for the 9505 project; corresponding long term mean demand and flow files updated based on VIC4 simulations using Daymet forcing. v0.0.6: updates reservoir parameters to indicate which reservoirs should follow generic operating rules and which should follow ISTARF data-driven operating rules. v0.0.5: adds supporting files for running the Farmer Agent Based Model of adaptive water demand.

Rexer, Emily↗
DOE OSTI2021

A forecast-driven decision-making model for long-term operation of a hydro-wind-photovoltaic hybrid system

Hydro-wind-photovoltaic (PV) hybrid system has the potential to increase the integration of renewable energy sources into an existing grid. For the long-term operation of the system, due to the non-storable nature of wind and PV power, it is essentially to decide the optimal long-term carryover storage of cascade reservoirs. However, it remains a challenge due to high uncertainties of long-term forecasts and complicated hydraulic/electrical relationships between cascade reservoirs. Here in this study, a forecast-driven decision-making model is proposed for the hybrid system, which converts the multi-stage long-term operation process into a two-stage operation problem (including current stage and carryover stage) to avoid using longer-horizon forecast information with lower accuracy. First, the carryover stage energy surfaces (CESs) considering the forecast uncertainties of wind, solar and hydro resources are proposed to characterize carryover stage benefit quantitatively. Then a CESs-based forward decision-making optimization model is developed to guide the long-term operation of a hydro-wind-photovoltaic hybrid system. The applications in a hydro-wind-PV hybrid system of Yalong River basin results show that: compared with conventional operation, 1) power generation increases 9.03%; 2) in terms of the carryover storages control, the reservoir impounding and drawdown timing are delayed, and the drawdown depth is increased, which can be used to formulate better reservoir operation rules.

13 HYDRO ENERGY↗
DOE OSTI2021

ROP model for PDC bits in Geothermal drilling

Geothermal energy is a renewable source of energy, where heat extraction is preferentially balanced with the reservoir's natural heat recharge rate. The objective of this paper is to present and validate a novel rate of penetration (ROP) model for drilling hard and abrasive formations including granite formations for polycrystalline diamond compact (PDC) bits. The ROP model was developed based on a derived relationship of a threshold weight on cutter (WOC) and its corresponding depth of cut (DOC) for a single cutter. Laboratory data was used to scale the derived single cutter relationship to a full-hole ROP model for PDC bits. The ROP model includes a non-linear correlation for Phase I (inefficient drilling due to low WOB values) and a linear Phase II (efficient drilling) ROP response to WOB. The ROP model was verified using measured drilling parameter data from Utah FORGE well# 58-32 and data from Chocolate Mountains well # 17-8 in Southern California. When compared to oil and gas well drilling, geothermal drilling in granitic formations can be more difficult and complicated due to rock hardness and high temperatures. PDC bits can increase ROP and optimize drilling for these types of hard formations. This paper provides novel insight into the ROP response of PDC bits to drilling operational parameters.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Optimal pumping schedule with high-viscosity gel for uniform distribution of proppant in unconventional reservoirs

Hydrocarbon recovery from a hydraulic-fractured unconventional reservoir can be enhanced by replacing slickwater with non-Newtonian high-viscosity gel as a fracturing fluid. However, in the literature, the role of gel rheology on hydrocarbon production from a fractured reservoir is not very well understood. This lack of understanding makes it difficult for the industry to choose appropriate viscosity parameters of fracturing gels. Motivated by these limitations, first, we have developed a high-fidelity model of non-Newtonian fluid flow to simulate fracture propagation, fluid leak-off, and gel flowback processes to predict the oil production from a hydraulic fractured reservoir. Simulation results of the high-fidelity model show how fracture geometry, formation damage, and gel cleanup process varies with the fracturing fluid rheology. Therefore, the developed model is used to understand the effect of gel rheology on hydrocarbon production via a sensitivity analysis, which provides a set of rheological parameters that maximize the cumulative amount of oil production. Finally, utilizing this optimal high-viscosity gel, a model predictive controller is designed to obtain an optimal pumping schedule necessary for producing a target fracture geometry and proppant concentration. The closed-loop simulation results demonstrate that the obtained pumping schedule successfully achieved the desired fracture geometry and proppant concentration at the end of pumping, leading to the maximum oil production from an unconventional reservoir.

13 HYDRO ENERGY↗
DOE OSTI2020

Impacts of urbanization, antecedent rainfall event, and cyclone tracks on extreme floods at Houston reservoirs during Hurricane Harvey

The objective of this study is to evaluate the effects of urbanization, antecedent rainfall event (ARE), and varying cyclone tracks on the streamflow—and thus the subsequent reservoir status—during the floods caused by Hurricane Harvey in August-September 2017. Through a hydrological modeling approach, we examined how these factors influenced the inflows, peak pool elevations and outflows of the two most important detention reservoirs in the Houston region, the Addicks and Barker Reservoirs. A high-resolution rainfall reanalysis dataset for extreme storm events, along with a suite of synthetic rainfall values from a variety of storm tracks, were adopted to represent both the truth and the maximum possible rainfall during the Hurricane Harvey period. Results showed the following: Urbanization only led to slight increases in peak inflows, not necessarily leading to an increase in peak pool elevations. ARE contributed to the peak inflow and pool elevation slightly. In contrast, if the cyclone had followed the most adverse track consistent with earlier forecasts (all else being equal), the total volumetric flow into the two reservoirs could have been significantly larger (37.00% and 48.70% respectively), thus increasing the peak pool elevations by 1.06 and 1.37 meters respectively. These results suggest that large uncertainties exist for flood management at a watershed scale during hurricanes, because of the uncertainties with regard to the cyclone track. This is true even if storm-relative precipitation rates could be predicted perfectly.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Trends and meteorological drivers of extreme daily reservoir evaporation events in the western United States

Extreme daily evaporation from reservoir surfaces can lead to significant short-term water losses, affecting water quality, water supply, and reservoir operation strategies. Historical trends in daily reservoir evaporation events have eluded the scientific and operational communities, largely due to a lack of long-term, consistent data record. This study quantifies trends in extreme daily reservoir evaporation events at 165 major reservoirs located in the western U.S. Here, we use the place-based energy balance and aerodynamic Daily Lake Evaporation Model (DLEM) driven by multiple meteorological data products (RTMA, gridMET, Daymet) to estimate daily evaporation rates at these reservoirs from 1981 to 2022. The results—while are based on different meteorological forcing datasets—consistently indicate that the California, Lower Colorado, and Rio Grande hydrologic regions are more prone to higher daily evaporation extremes. Compared to the rest of western U.S, these three regions also experience a more pronounced increasing trend in the annual maximum daily evaporation rate, at about 0.3 mm day -1 decade -1 during 1981-2022. The results show that heat and dryness are the main drivers to the increasing trend of extreme evaporation, while extreme wind speed is the primary contributor to exceptionally high daily evaporation events across all regions. This phenomenon is particularly prominent in the arid Lower Colorado region, but less significant in the cold and humid Pacific Northwest region. We also find that the correlation between extreme wind speed and extreme evaporation degrades as the time scale increases from daily, to monthly and seasonal. Our findings have strong implications for the pattern and distribution of extreme evaporation events at the western U.S. reservoirs, and illustrate how various drivers influence extreme evaporation across different time scales.

13 HYDRO ENERGY↗
DOE OSTI2025

Modeling hydraulic fracture opening and closure with proppant transport and settlement

Hydraulic fracturing is a widely used reservoir stimulation technique for improving fluid circulation in rock formations with extremely low permeability, particularly in enhanced geothermal systems (EGS). To better understand the complex processes involved and improve hydraulic stimulation performance, we have developed ELK (ELectrical fracKing), a MOOSE-based 3D finite element application designed to model the behavior of proppant-fluid mixtures in propagating fractures. ELK integrates both the fluid and proppant components, incorporating particle-driven processes such as gravity settling, particle-particle interactions, and strong density and viscosity contracts, in addition to conventional fluid-driven fracture propagation. In this contribution, we extend ELK to model propped fracture closure, which occurs after the injection phase due to a dramatic drop in the effective stress on the fracture plane. During the shut-in, flowback, and production periods, the fracture width decreases, with the closure behavior depending on proppant concentration.. At low concentrations, closure follows a nonlinear joint law linked to the stiffness of asperities in the fracture walls. While at high concentrations, it is controlled by the properties of packed proppant bed. The extended ELK application is validated against several benchmark examples, including the propagation of an inclined frictional crack, fracture opening and sliding in response to fluid injection, and flowback analysis. We believe that ELK’s enhanced capabilities can serve as a valuable tool for the design and optimization of EGS deployment.

15 - GEOTHERMAL ENERGY↗
DOE OSTI2023

Chemistry and Dynamics of Supercritical Carbon Dioxide and Methane in the Slit Pores of Layered Silicates

In the mid 2010s, high-pressure diffraction and spectroscopic tools opened a window into the molecular-scale behavior of fluids at the conditions of many CO 2 sequestration and shale/tight gas reservoirs - conditions where CO 2 and CH 4 are present as variably wet supercritical fluids. Integrating high-pressure spectroscopy and diffraction with molecular modeling has revealed much about the ways that supercritical CO 2 and CH 4 behave in reservoir components, particularly in the slit-shaped micro- and meso-pores of layered silicates (phyllosilicates) abundant in caprocks and shales. This Account summarizes how supercritical CO 2 and CH 4 behave in the slit pores of swelling phyllosilicates as functions of the H 2 O activity, framework structural features, and charge-balancing cation properties at 90 bar and 323 K – conditions similar to a reservoir at ~1 km depth. Slit pores containing cations with large radii, low hydration energy, and large polarizability readily interact with CO 2 , allowing CO 2 and H 2 O to adsorb and co-exist in these interlayer pores over a wide range of fluid humidities. In contrast, cations with small radii, high hydration energy, and low polarizability weakly interact with CO 2 leading to reduced CO 2 uptake and a tendency to exclude CO 2 from interlayers when H 2 O is abundant. The reorientation dynamics of confined CO 2 depends on the interlayer pore height, which is strongly influenced by the cation properties, framework properties, and fluid humidity. The silicate structural framework also influences CO 2 uptake and behavior - for example, smectites with increasing F-for-OH substitution in the framework take up greater quantities of CO 2 . Reactions that trap CO 2 in carbonate phases have been observed in thin H 2 O films near smectite surfaces, including a dissolution-reprecipitation mechanism when the edge surface area is high and an ion exchange-precipitation mechanism when the interlayer cation can form a highly insoluble carbonate. In contrast, supercritical CH 4 does not readily associate with cations, does not react with smectites, and is only incorporated into interlayer slit mesopores when (i) the pore has a $z$-dimension large enough to accommodate CH 4 , (ii) the smectite has low charge and (iii) the H 2 O activity is low. In conclusion, the adsorption and displacement of CH 4 by CO 2 and vice-versa have been studied on the molecular scale in one shale, but opportunities remain to examine behavioral details in this more complicated, slit-pore inclusive system.

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

Modeling heat transport processes in enhanced geothermal systems: Validation study from EGS Collab Experiment 1

Heat recovery from enhanced geothermal systems (EGS) is a complex process involving heat transport in both fracture networks and rock formations. A comprehensive understanding of and the ability to model the underlying heat transport mechanisms is important for the success of EGS but remains challenging in practice due to the generally insufficient characterization of EGS reservoirs. In the present study, we analyze an extensively monitored intermediate-scale EGS field experiment performed in a well-characterized testbed. The high-resolution, high-quality measurements from the field experiment enable the development of a high-fidelity model incorporating a well-constrained fracture network. Based on the field experiment, we investigate the complex heat transport processes in an EGS-relevant environment and validate the capability of a numerical approach in simulating these inherently coupled heat transport processes. A series of numerical simulations were performed to study the effects of different heat transport mechanisms, including thermal convection with fracture flow, thermal conduction in rock formations, and the Joule-Thomson effect. The agreement of thermal responses between field measurements and simulation results indicates that our numerical approach can appropriately model the heat transport processes pertaining to heat recovery from EGS reservoirs.

Wu, Hui↗