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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Uncertainty Quantification in CO2 Trapping Mechanisms: A Case Study of PUNQ-S3 Reservoir Model Using Representative Geological Realizations and Unsupervised Machine Learning

Evaluating uncertainty in CO2 injection projections often requires numerous high-resolution geological realizations (GRs) which, although effective, are computationally demanding. This study proposes the use of representative geological realizations (RGRs) as an efficient approach to capture the uncertainty range of the full set while reducing computational costs. A predetermined number of RGRs is selected using an integrated unsupervised machine learning (UML) framework, which includes Euclidean distance measurement, multidimensional scaling (MDS), and a deterministic K-means (DK-means) clustering algorithm. In the context of the intricate 3D aquifer CO2 storage model, PUNQ-S3, these algorithms are utilized. The UML methodology selects five RGRs from a pool of 25 possibilities (20% of the total), taking into account the reservoir quality index (RQI) as a static parameter of the reservoir. To determine the credibility of these RGRs, their simulation results are scrutinized through the application of the Kolmogorov–Smirnov (KS) test, which analyzes the distribution of the output. In this assessment, 40 CO2 injection wells cover the entire reservoir alongside the full set. The end-point simulation results indicate that the CO2 structural, residual, and solubility trapping within the RGRs and full set follow the same distribution. Simulating five RGRs alongside the full set of 25 GRs over 200 years, involving 10 years of CO2 injection, reveals consistently similar trapping distribution patterns, with an average value of Dmax of 0.21 remaining lower than Dcritical (0.66). Using this methodology, computational expenses related to scenario testing and development planning for CO2 storage reservoirs in the presence of geological uncertainties can be substantially reduced.

Mahjour, Seyed Kourosh↗
DOE OSTI2023

Energy Model to Evaluate Thermal Energy Storage Integrated with Air Source Heat Pumps: Preprint

Full decarbonization in buildings requires the replacement of combustion appliances with electric ones, and air source heat pumps (ASHP) are a candidate alternative. However, technical limitations, such as the efficiency decrease when operating in cold weather, limit their adoption in the global heating market. Among several options to improve ASHP efficiency operating in colder climates, thermal energy storage (TES) has been considered, as it may provide heating when it is cold and shift ASHP operation to times when the weather is warmer. It may also take advantage of time of use electricity rates and support defrosting when necessary. The evaluation of ASHP-TES systems, however, is still limited because traditional metrics do not capture their full economic and environmental benefits. In this work, a python framework is presented to model the ASHP with and without the presence of TES. Metrics are proposed to analyze the system performance in terms of costs, equivalent CO2 emission, and efficiency metrics to evaluate and compare alternative systems. Model validation against experimental data obtained for a commercial heat pump is provided, as well as an application example using Denver, Colorado, to highlight the model capabilities.

cold climate↗
DOE OSTI2021

A simulation study of carbon storage with active reservoir management

As part of the Integrated Midcontinent Stacked Carbon Storage Hub (IMSCS-Hub) project led by Battelle Memorial Institute, a study was conducted to determine the feasibility of storing carbon dioxide (CO 2 ) in the stacked saline rock formations of the Sleepy Hollow Field (SHF), located in Red Willow County, southern Nebraska. A series of CO 2 injection simulation scenarios, with and without active reservoir management (ARM; brine extraction), were evaluated to investigate the feasibility of storing 50+ million tonnes (Mt) of CO 2 . The results indicated CO 2 injection combined with ARM may enable permanent storage of 50+ Mt of CO 2 . The area of review (AOR), the area in which underground sources of drinking water (USDWs) might be endangered during CO 2 injection, was assessed for the simulation scenarios. In comparison to a case without ARM, brine extraction resulted in a much smaller AOR, covering an area of 42 square miles (108.8 km 2 ), roughly one-fourth the size of an AOR resulting from CO 2 injection without ARM. Our findings, presented in this paper, indicate that CO 2 injection with ARM can improve the CO 2 storage capacity of a geologic storage complex up to 100% while also reduce the rate of pressure buildup in the subsurface, resulting in a 75% reduction in AOR. This may help in lowering carbon capture and storage project costs, risks, and effort needed to meet monitoring requirements for a storage project.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Experimental Investigation of Vapor Formation in Liquid CO2 Flow Through a Converging-Diverging Nozzle

Carbon dioxide is an attractive working fluid for many cycles, including for pumped thermal energy storage (PTES). A challenge with some proposed sCO2 PTES cycles is the operation of sCO2 machinery outside the typical bounds of experience, with local phase change from the liquid state being particularly unknown. Presently, there is insufficient data in the literature regarding multiphase CO2 to adequately design a multiphase-tolerant turbine, so generation of foundational data is required. This experimental study investigates the flow characteristics of sub-sonic liquid CO2 undergoing expansion and phase change in a converging-diverging nozzle. The nozzle is instrumented to measure static pressure, unsteady pressure, temperature, and density. The static pressure transducers are located at 27 axial locations to accurately characterize the pressure profile in the nozzle. High-accuracy RTDs are located at the entrance and exit of the nozzle, and three dynamic pressure transducers are strategically located to capture any unsteady phenomena. During testing, values of mass flow and nozzle inlet pressure are swept to vary the pressure drop and fluid properties. The measured total pressure drop in the nozzle is compared to a homogenous model and the Lockhart-Martinelli correlation method, with the latter predicting loss quite closely. The resulting data set is valuable for validating multiphase numerical models in a simple geometry before implementation of these models in turbomachinery design.

25 ENERGY STORAGE↗
DOE OSTI2023

Dynamic structural and microstructural responses of a metal–organic framework type material to carbon dioxide under dual gas flow and supercritical conditions

The structural and microstructural responses of a model metal–organic framework material, Ni(3-methyl-4,4'-bipyridine)[Ni(CN) 4 ] (Ni-BpyMe or PICNIC-21), to CO 2 adsorption and desorption are reported for in situ small-angle X-ray scattering and X-ray diffraction measurements under different gas pressure conditions for two technologically important cases. These conditions are single or dual gas flow (CO 2 with N 2 , CH 4 or H 2 at sub-critical CO 2 partial pressures and ambient temperatures) and supercritical CO 2 (with static pressures and temperatures adjusted to explore the gas, liquid and supercritical fluid regimes on the CO 2 phase diagram). The experimental results are compared with density functional theory calculations that seek to predict where CO 2 and other gas molecules are accommodated within the sorbent structure as a function of gas pressure conditions, and hence the degree of swelling and contraction in the associated structure spacings and void spaces. Furthermore, these predictions illustrate the insights that can be gained concerning how such sorbents can be designed or modified to optimize the desired gas sorption properties relevant to enhanced gas recovery or to addressing carbon dioxide reduction through carbon mitigation, or even direct air capture of CO 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Benefit Analysis of CO 2 Delivery Options for Offshore Storage or Enhanced Oil Recovery

The analysis presented in this report evaluates the benefits of CO₂ offshore transport via pipeline or ship within the GOM. It takes a top-down framework to estimate the costs. First, this analysis designed a reduced-order model (ROM) based on the cash flows in the FECM/NETL CO₂ Transport Cost Model (also known as CO2_T_COM). The ROM takes capital expenses (CAPEX) and operating expenses (OPEX) to calculate the CO₂ breakeven price based on the cash flows. Second, this analysis developed regression models utilizing published data from other analyses to estimate CAPEX and OPEX. Since the ROM is a simplified cash flow calculation, it is easy to exchange the core regression models to estimate various costs. The ROM and regression models provided a framework that can be easily used by other researchers, decision-makers, operators, and regulators. The objective of this analysis is to assess the CO₂ breakeven cost range for pipeline and ship transport of captured CO₂ given the CO₂ source and storage reservoir located in the GOM.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Permitting A Coal-Fired 4-MMt/yr CCS Project in North Dakota, USA

Paper presented at 16th International Conference on Greenhouse Gas Control Technologies (GHGT-16), October 23–27, 2022, Lyon, France. As part of the U.S. Department of Energy’s CarbonSAFE Program, the Energy & Environmental Research Center (EERC), in partnership with Minnkota Power Cooperative, Inc. (Minnkota), conducted commercial-scale site characterization and permitting of two deep saline formations for the geologic storage of anthropogenic CO 2 emissions. Captured as part of Minnkota’s Tundra SGS (secure geologic storage) project, these storage horizons would collectively and permanently store an annual average of 4 million metric tons (MMt) of CO 2 .

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Effect of K + Force Fields on Ionic Conductivity and Charge Dynamics of KOH in Ethylene Glycol

Predicting ionic conductivity is crucial for developing efficient electrolytes for energy storage and conversion and other electrochemical applications. An accurate estimate of ionic conductivity requires understanding complex ion–ion and ion–solvent interactions governing the charge transport at the molecular level. Molecular simulations can provide key insights into the spatial and temporal behavior of electrolyte constituents. However, such insights depend on the ability of force fields to describe the underlying phenomena. In this work, molecular dynamics simulations were leveraged to delineate the impact of force field parameters on ionic conductivity predictions of potassium hydroxide (KOH) in ethylene glycol (EG). Four different force fields were used to represent the K + ion. Diffusion-based Nernst–Einstein and correlation-based Einstein approaches were implemented to estimate the ionic conductivity, and the predicted values were compared with experimental measurements. The physical aspects, including ion-aggregation, charge distribution, cluster correlation, and cluster dynamics, were also examined. A force field was identified that provides reasonably accurate Einstein conductivity values and a physically coherent representation of the electrolyte at the molecular level.

25 ENERGY STORAGE↗
DOE OSTI2022

Initial Risk Inventory for Commercial Scale Storage Sites

The “Southeast Regional CO 2 Utilization and Storage Acceleration Partnership” (SECARB-USA) project supports the U.S. Department of Energy (DOE) Office of Fossil Energy's (FE) mission to help the United States meet its need for secure, affordable, and environmentally sound fossil energy supplies by utilizing the advancements made since 2003 by the Regional Carbon Sequestration Partnership (RCSP) Initiative to continue to identify and address knowledge gaps. The SECARB-USA regional initiative encompasses the states of Alabama, Arkansas, Florida, Georgia, Louisiana, Mississippi, North Carolina, South Carolina, Tennessee, Virginia, and portions of Kentucky, Missouri, Oklahoma, Texas, and West Virginia. The primary objective of the project is to identify and address regional onshore storage and transport challenges facing commercial deployment of carbon dioxide (CO 2 ) capture, utilization, and storage (CCUS) technologies. This document provides an overview of risks relevant to commercial CCUS projects.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Design of an AIM Network for Monitoring Carbon Storage Projects

Conference poster presented at Carbon Capture, Utilization, and Storage (CCUS) Conference 2024, Houston, Texas, March 11–13, 2024. The Energy & Environmental Research Center (EERC) is researching novel carbon storage-monitoring techniques at an approved North Dakota geologic carbon storage site. One of the research objectives is to design an autonomous, integrated, and modular (AIM) monitoring network that is compliant with monitoring requirements across multiple carbon capture and storage (CCS) policy frameworks, such as the U.S. Environmental Protection Agency’s (EPA) underground injection control (UIC) Class VI permitting program.

02 PETROLEUM↗
NASA NTRS2012

Microwave Extraction of Volatiles for Mars Science and ISRU

The greatest advantage of microwave heating for volatiles extraction is that excavation can be greatly reduced. Surface support operations would be simple consisting of rovers with drilling capability for insertion of microwaves down bore holes to heat at desired depths. The rovers would also provide support to scientific instruments for volatiles analysis and for volatiles collection and storage. The process has the potential for a much lower mass and a less complex system than other in-situ processes. Microwave energy penetrates the surface heating within with subsequent sublimation of water or decomposition of volatile containing minerals. On Mars the volatiles should migrate to the surface to be captured with a cold trap. The water extraction and transport process coupled with atmospheric CO2 collection could readily lead to a propellant production process, H2O + CO2 yields CH4 + O2.

Ethridge, Edwin C.↗
DOE OSTI2023

Gasification of Coal and Biomass: The Route to Net-Negative-Carbon Power and Hydrogen

One promising process that is a candidate for meeting the goals of the US Department of Energy’s 21st Century Power Plant initiative is to gasify a mixture of coal and biomass to yield a syngas, which can have CO2 removed and then be used to produce hydrogen as well as an off-gas that can be used to flexibly produce power. This concept would overall be carbon net-negative and readily meet the 21st Century Power Plant initiative targets of smaller scale MW generation, high ramp rates and turndown, feedstock flexibility, and high efficiency—at a reasonable cost. Moreover, adding the large-scale production of “ultra-green” hydrogen yields a system tailored for the coming hydrogen economy, providing long-term energy storage and an attractive co-product for sale. The objective of the work being led by the Electric Power Research Institute, Inc. (EPRI), with support by Bechtel Corporation (Bechtel), Gas Technology Institute (GTI), Hamilton Mauer International, Inc. (HMI), Nebraska Public Power District (NPPD), NexantECA, Inc. (Nexant), and Wärtsilä, is to perform a front-end design and engineering (FEED) study on an oxygen-blown gasification system coupled with water-gas shift, pre-combustion CO2 capture, and pressure-swing adsorption working off a coal/biomass mix to yield high-purity hydrogen and a fuel off-gas that can generate power. Several designs are being considered that will be capable of producing 50 MW net from a flexible generator, over 8500 kg/hr of hydrogen, and net-negative CO2 emissions, at an efficiency of 50% net HHV. The plant would be hosted at an NPPD site, where opportunities for enhanced oil recovery and sequestration have been investigated and the need for low-carbon power and hydrogen is imminent. The principal biomass to be used is corn stover—prevalent in Nebraska where the plant will be located—mixed with Powder River Basin (PRB) coal, necessitating a gasifier that can use this feedstock and be flexible to allow other types. Waste plastics will also be reviewed for use. Two oxygen-blown gasifiers have been identified as candidates that have done testing with biomass including corn stover: the GTI gasifier—a high-pressure, fluidized-bed type—and HMI’s, a lower pressure moving-bed type. Both have relative advantages that were investigated in the Phase I design study, with a resultant down select of one system for which the FEED will be performed in Phase II. The technical tasks for the project are: • Design Development: Completion of design activities necessary to provide inputs for the FEED study. Multiple design cases will be assessed with the selection of the optimal one for the FEED. • Investment Case Preparation: Development of the draft investment case for the proposed process with business cases performed for the proposed host site and two other locations. • Host Site Selection: Evaluation of the two potential host sites within NPPD’s portfolio to select the preferred candidate based on technical, economic, and environmental considerations. • Environmental Information Volume (EIV) Development: Completion of the EIV for the host site. • FEED Study: Completion of a FEED study based on the design selected in Phase I. A Greenhouse Gas Life Cycle Analysis will also be performed for the process. • Update Investment Case: Finalization of the investment case based on findings from the FEED. The advantages of the proposed project are significant. Having an engaged U.S. power utility willing to provide a host site that will produce energy from coal plus a deep and experienced team is critical; the process meets all the goals of DOE’s 21st Century Power Plant initiative at an estimated total plant cost of ~$880M and a production cost of hydrogen of ~$2/kg-H2 while producing net-negative carbon power. If developed, this process has real commercial potential in the United States—supported by EPRI’s initial review of the considerable interest from selected U.S. utilities—and elsewhere around the globe. The process has fewer environmental hurdles compared to other concepts, lowering regulatory and protest risks—providing a pathway to preserving the viability of a critical indigenous energy source by transforming its use to match a changing world. This presentation outlines the motivation for the effort, summarizes project plans, work completed to date, results of the Phase I effort and, and detailed work scope for the remainder of the project in the Phase II FEED effort.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

A coupled thermo-hydro-mechanical model for simulating leakoff-dominated hydraulic fracturing with application to geologic carbon storage

A potential risk of injecting CO2 into storage reservoirs with marginal permeability (≲ 10 mD (1 mD = 10 –15 m 2 )) is that commercial injection rates could induce fracturing of the reservoir and/or the caprock. Such fracturing is essentially fluid-driven fracturing in the leakoff-dominated regime. Recent studies suggested that fracturing, if contained within the lower portion of the caprock complex, could substantially improve the injectivity without compromising the overall seal integrity. Modeling this phenomenon entails complex coupled interactions among the fluids, the fracture, the reservoir, and the caprock. Here, we develop a simple method to capture all these interplays in high fidelity by sequentially coupling a hydraulic fracturing module with a coupled thermal-hydrological-mechanical (THM) model for nonisothermal multiphase flow. The model was made numerically tractable by taking advantage of self-stabilizing features of leakoff-dominated fracturing. The model is validated against the PKN solution in the leakoff-dominated regime. Moreover, we employ the model to study thermo-poromechanical responses of a fluid-driven fracture in a field-scale carbon storage reservoir that is loosely based on the In Salah project's Krechba reservoir. The model reveals complex yet intriguing behaviors of the reservoir-caprock-fluid system with fracturing induced by cold CO 2 injection. We also study the effects of the in situ stress contrast between the reservoir and caprock and thermal contraction on the vertical containment of the fracture. The proposed model proves effective in simulating practical problems on length and time scales relevant to geological carbon storage.

58 GEOSCIENCES↗
DOE OSTI2020

Carbon Utilization: Electrochemical Approach Using Novel Catalyst and System Integration

The environmental footprint from power generation can be mitigated by capturing emitted carbon dioxide (CO2) and converting it to value-added fuel sources. A multitude of different fuels can be produced from CO2 depending on the chemical reaction catalysts. Typically, these pathways can be developed electrochemically, or through hydrogenation. In recent years the electrochemical reduction of CO2 has grown exponentially, as it has shown potential to decrease atmospheric pollution and provide an additional means of on-demand electricity storage. Formic acid (FA) in particular has industrial applications such as in fuel cells or as a hydrogen storage medium, and requires a lower thermodynamic energy input than any other fuel produced for electrochemical CO2 reduction. However, product selectivity remains a challenge for conventional electrocatalysts, making FA production efficiencies above 50% difficult. To address the challenge of catalytic selectivity, UK CAER employs enzymatic catalysts to facilitate the FA production and minimize unwanted byproducts. Our process couples the catalyst with a charge mediator which is necessary to shuttle electrons, and an electrolyte pH buffer to prevent the catalyst from degrading. Presently, production efficiencies have approached 60% at a rate of over 10 mM FA/hour. System design considerations (flow rate, bulk volume) will also be discussed.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Deep Learning-based Parameterization of Complex 3D CO2 Saturation Data in Large-scale Geological Carbon Storage

In deep learning (DL), dimension reduction plays a pivotal role in improving training efficiency and minimizing overfitting, especially when working with complex datasets like three-dimensional (3D) saturation data. In the context of geological carbon storage (GCS), 3D saturation data introduces unique challenges due to its sparse nature and sharp transitions at plume boundaries, known as shock fronts. To tackle these challenges, we developed a novel DL framework that combines dimension reduction with advanced 3D reconstruction techniques. Our approach utilizes latent variables derived from 2D average saturation fields to efficiently capture the essential features of high-dimensional data while reducing the number of variables. This enhances both the robustness and accuracy of DL models, making the framework more practical for real-world applications. By offering a tailored solution for modeling complex 3D saturation dynamics, this framework holds significant potential for environmental monitoring, energy storage, and other geological applications.

Wang, Hongsheng [University of Texas at Austin]↗
DOE OSTI2023

Leveraging the bioeconomy for carbon drawdown

Stringent climate change mitigation scenarios rely on large-scale drawdown of carbon dioxide from the atmosphere. Amongst drawdown technologies, bioenergy with carbon capture and sequestration (BECCS) has received considerable attention in the climate mitigation literature. Recently, attention has shifted further from a relatively narrow focus on BECCS to a broader focus on Biomass Carbon Removal and Storage (BiCRS). The concept of BiCRS has the potential to enable a future where the climate mitigation value of biomass resources is more valuable than the energy value, due to the potential to remove and sequester large quantities atmospheric CO2. This article provides a qualitative overview of prominent BiCRS technologies from which a set of the most promising technologies are assessed quantitively through life cycle assessment. There are numerous opportunities to incorporate carbon removal and management within the bioeconomy, but the majority of immediate carbon removal potential exists in four bioproducts: bioenergy, bioplastics, biochar, and wood products. We analyze the life cycle greenhouse gas emissions and disposition of sequestered carbon over 10 000 years for four bioproducts representative of each broader category: an advanced BECCS pathway, biopolyethylene, oriented strand board, and biochar soil amendment. We find that the BECCS pathway has the greatest magnitude and durability of CO2 storage over all time horizons. However, non-BECCS pathways achieve 34–64% of the drawdown magnitude relative to BECCS and retain 55–67% of their initial drawdown over 100 years (central estimate). We identify three engineering strategies for enhancing carbon drawdown: reducing biomass supply chain emissions, maximizing carbon stored in long-lived products, and extending the term of carbon storage. Finally, we highlight the need to characterize both the magnitude and permanence of carbon drawdown as a means for policymakers and technology developers to deploy limited biomass resources to maximize mitigation benefits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗