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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Towards Next Generation Lithium-Sulfur Batteries: Non-Conventional Carbon Compartments/Sulfur Electrodes and Multi-Scale Analysis

In this work, a novel heterofunctional, bimodal-porous carbon morphology, termed the carbon compartment (CC), is utilized as a sulfur host as a lithium-sulfur battery cathode. A multi-scale model explores the physics and chemistry of the lithium-sulfur battery cathode. The CCs are synthesized by a rapid, low cost process to improve electrode-electrolyte interfacial contact and accommodate volumetric expansion associated with sulfide formation. The CCs demonstrate high sulfur loading (47 %-wt. S) and ca. 700 mAh g -1 reversible capacity with high coulombic efficiency due to their unique structures. Density functional theory and ab initio Molecular Dynamics characterize the interface between the C/S composite and electrolyte during the sulfur reduction mechanism. Stochastic realizations of 3D electrode microstructures are reconstructed based on representative SEM images to study the influence of solid sulfur loading and lithium sulfide precipitation on microstructural and electrochemical properties. A macroscale electrochemical performance model is developed to analyze the performance of lithium-sulfur batteries. The combined multi-scale simulation studies explain key fundamentals of sulfur reduction and its relation to the polysulfide shuttle mechanism: how the process is affected due to the presence of carbon substrate, thermodynamics of lithium sulfide formation and deposition on carbon, and microstructural effects on the overall cell performance.

25 ENERGY STORAGE↗
DOE OSTI2018

Metabolomics Collision Cross Section Database and Server

This is a the code and data for a website created to display collision cross section data for metabolites and small molecules. This repository hosts two things. First is the source code (js) for a website created to display collision cross section data for metabolites and other small molecules. The second is the underlying CCS dataset. The growing interest in metabolomic and exposomic studies is also inciting a need for new techniques to analyze these diverse molecules. Mass spectrometry-based studies are often preferred for the confident identification of small molecules. Ion mobility spectrometry (IMS) is capable of separating molecules that have the same m/z but different conformational arrangements, which is very useful in metabolomic and exposomic analyses. As the desire for IMS measurements of metabolites continues to grow, so does the need for high quality collision cross section (CCS) values.

Payne, Sam↗
DOE OSTI2022

Induced seismicity potential based on probabilistic geomechanics for the San Juan Basin CarbonSAFE project

Although geologic carbon sequestration projects have yet to induce — or may never induce — a damaging earthquake, experiences from other deep injection industries such as hydraulic fracturing, enhanced geothermal systems, and saltwater disposal suggest that effective quantitative seismic risk assessment is necessary for deep saline carbon capture and sequestration (CCS) projects. One such imminent CCS project is the San Juan Basin CarbonSAFE Phase III program. We use Monte Carlo probabilistic geomechanical analyses combined with observations of the geologic and operational parameters of the San Juan Basin site and suggest that this project is of low-induced seismic risk. The primary analysis is split into four sections. First, we assess the literature for faults and past seismicity, and at least five faulting scenarios are directly relevant. Second, we develop and calibrate an integrated earth model for the project site. Third, we perform Monte Carlo simulations that consider reasonable uncertainties of the geomechanical parameters. Of five tested faulting scenarios, only one presents high Coulomb failure functions, but fourth, we determine the risk to be low based on the combined lack of historical seismicity, the geologic framework of the faulting scenario, and the presence of saltwater injection at the same depth as the proposed supercritical carbon dioxide injection. The most sensitive parameters in the geomechanical calculations are the fault dip and the coefficient of friction. The least sensitive are the fault strike and the orientation of the maximum horizontal principal stress.

58 GEOSCIENCES↗
DOE OSTI2014

Molecular Simulation-Based Structural Prediction of Protein Complexes in Mass Spectrometry: The Human Insulin Dimer

Protein electrospray ionization (ESI) mass spectrometry (MS)-based techniques are widely used to provide insight into structural proteomics under the assumption that non-covalent protein complexes being transferred into the gas phase preserve basically the same intermolecular interactions as in solution. Here we investigate the applicability of this assumption by extending our previous structural prediction protocol for single proteins in ESI-MS to protein complexes. We apply our protocol to the human insulin dimer (hIns2) as a test case. Our calculations reproduce the main charge and the collision cross section (CCS) measured in ESI-MS experiments. Molecular dynamics simulations for 0.075 ms show that the complex maximizes intermolecular non-bonded interactions relative to the structure in water, without affecting the cross section. The overall gas-phase structure of hIns2 does exhibit differences with the one in aqueous solution, not inferable from a comparison with calculated CCS. Hence, care should be exerted when interpreting ESI-MS proteomics data based solely on NMR and/or X-ray structural information.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Potential for Combined Heat and Power with Carbon Capture and Storage at U.S. Ethanol Facilities

Conference paper presented at 17th International Conference on Greenhouse Gas Control Technologies (GHGT-17), Calgary, Alberta, Canada, October 20–24, 2024. Economic conditions in the United States have positioned ethanol producers as early adopters of industrial CO 2 capture and storage (CCS) from fermentation processes, creating an opportunity to further reduce emissions. Replacing fossil fired energy with biogenic combined heat and power (CHP) coupled with CCS could enable ethanol production to achieve net negative CO 2 emissions, with gasification based CHP better matching ethanol facilities’ heat and power needs than combustion based systems. Pilot scale testing showed that while 100% biomass gasification increased tar formation, cofeeding corn stover with coal and optimizing gasifier configurations offered promising pathways to reduce tar and improve operational performance.

09 BIOMASS FUELS↗
DOE OSTI2013

CASL Institutional Computing Report, Calendar Year 2012

CASL, the Consortium for Advanced Simulation of Light water reactors (or LWRs) is a multi-institutional, $22-25M per year, 5-year project lead by Oak Ridge National Laboratory. This project is one of DOE’s Energy Innovation Hubs and started late in the last quarter of FY10. As part of this joint work with 10 different institutions, senior LANL management agreed to provide 10% of all Institutional Computing resources at Los Alamos to the project for the life of the project. This is part of an in-kind institutional contribution LANL is making to the CASL effort. Similar contributions have been made by all national laboratory partners in CASL (ORNL, LANL, INL, and SNL)1. CASL is a highly visible and extremely valuable project for Los Alamos, with line of sight visibility and attention from the Secretary of Energy and high-impact results delivered to the nuclear energy industry. It is considered to be a model for such large programs with multiple partners, as well as a model for future simulation hubs defined by DOE. At the time of this writing, LANL leads three areas in the project. Thermal Hydraulics Methods (THM, Mark Christon, CCS-2), Materials Optimization and Performance (MPO, Chris Stanek, MST-8), and Validation and Uncertainty Quantification (VUQ, Brian Williams, CCS-6). This report summarizes the use of Institutional Computing (IC) resources by the CASL project, for calendar year 2013.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Development of a Software Framework for System-Level Carbon Sequestration Risk Assessment

The overall purpose of this project was to identify, evaluate, select, develop, and test a suite of enhancements to the GoldSim software program, in order to make it a better tool for use in support of Carbon Capture and Sequestration (CCS) projects. The GoldSim software is a foundational tool used by scientists at NETL and at other laboratories and research institutions to evaluate system-level risks of proposed CCS projects. The primary product of the project was a series of successively improved versions of the GoldSim software, supported by an extensive User’s Guide. All of the enhancements were tested by scientists at Los Alamos National Laboratory, and several of the enhancements have already been incorporated into the CO 2 -PENS sequestration model.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Report on all ARRA Funded Technical Work

The main focus of this American Recovery and Reinvestment Act of 2009 (ARRA) funded project was to design an energy efficient carbon capture and storage (CCS) process using the Recipients membrane system for H 2 separation and CO 2 capture. In the ARRA-funded project, the Recipient accelerated development and scale-up of ongoing hydrogen membrane technology research and development (R&D). Specifically, this project focused on accelerating the current R&D work scope of the base program-funded project, involving lab scale tests, detail design of a 250 lb/day H 2 process development unit (PDU), and scale-up of membrane tube and coating manufacturing. This project scope included the site selection and a Front End Engineering Design (FEED) study of a nominally 4 to 10 ton-per-day (TPD) Pre-Commercial Module (PCM) hydrogen separation membrane system. Process models and techno-economic analysis were updated to include studies on integration of this technology into an Integrated Gasification Combined Cycle (IGCC) power generation system with CCS.

08 HYDROGEN↗
DOE OSTI2013

FutureGen Project Report

This report summarizes the comprehensive siting, permitting, engineering, design, and costing activities completed by the FutureGen Industrial Alliance, the Department of Energy, and associated supporting subcontractors to develop a first of a kind near zero emissions integrated gasification combined cycle power plant and carbon capture and storage project (IGCC-CCS). With the goal to design, build, and reliably operate the first IGCC-CCS facility, FutureGen would have been the lowest emitting pulverized coal power plant in the world, while providing a timely and relevant basis for coal combustion power plants deploying carbon capture in the future.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2014

Basin-Scale Leakage Risks from Geologic Carbon Sequestration: Impact on Carbon Capture and Storage Energy Market Competitiveness

This three-year project, performed by Princeton University in partnership with the University of Minnesota and Brookhaven National Laboratory, examined geologic carbon sequestration in regard to CO 2 leakage and potential subsurface liabilities. The research resulted in basin-scale analyses of CO 2 and brine leakage in light of uncertainties in the characteristics of leakage processes, and generated frameworks to monetize the risks of leakage interference with competing subsurface resources. The geographic focus was the Michigan sedimentary basin, for which a 3D topographical model was constructed to represent the hydrostratigraphy. Specifically for Ottawa County, a statistical analysis of the hydraulic properties of underlying sedimentary formations was conducted. For plausible scenarios of injection into the Mt. Simon sandstone, leakage rates were estimated and fluxes into shallow drinking-water aquifers were found to be less than natural analogs of CO 2 fluxes. We developed the Leakage Impact Valuation (LIV) model in which we identified stakeholders and estimated costs associated with leakage events. It was found that costs could be incurred even in the absence of legal action or other subsurface interference because there are substantial costs of finding and fixing the leak and from injection interruption. We developed a model framework called RISCS, which can be used to predict monetized risk of interference with subsurface resources by combining basin-scale leakage predictions with the LIV method. The project has also developed a cost calculator called the Economic and Policy Drivers Module (EPDM), which comprehensively calculates the costs of carbon sequestration and leakage, and can be used to examine major drivers for subsurface leakage liabilities in relation to specific injection scenarios and leakage events. Finally, we examined the competiveness of CCS in the energy market. This analysis, though qualitative, shows that financial incentives, such as a carbon tax, are needed for coal combustion with CCS to gain market share. In another part of the project we studied the role of geochemical reactions in affecting the probability of CO 2 leakage. A basin-scale simulation tool was modified to account for changes in leakage rates due to permeability alterations, based on simplified mathematical rules for the important geochemical reactions between acidified brines and caprock minerals. In studies of reactive flows in fractured caprocks, we examined the potential for permeability increases, and the extent to which existing reactive transport models would or would not be able to predict it. Using caprock specimens from the Eau Claire and Amherstburg, we found that substantial increases in permeability are possible for caprocks that have significant carbonate content, but minimal alteration is expected otherwise. We also found that while the permeability increase may be substantial, it is much less than what would be predicted from hydrodynamic models based on mechanical aperture alone because the roughness that is generated tends to inhibit flow.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Subtask 2.17 - CO 2 Storage Efficiency in Deep Saline Formations

As the field of carbon capture and storage (CCS) continues to advance, and large-scale implementation of geologic carbon dioxide (CO 2 ) storage progresses, it will be important to understand the potential of geologic formations to store meaningful amounts of CO 2 . Geologic CO 2 storage in deep saline formations (DSFs) has been suggested as one of the best potential methods for reducing anthropogenic CO 2 emission to the atmosphere, and as such, updated storage resource estimation methods will continue to be an important component for the widespread deployment of CCS around the world. While there have been several methodologies suggested in the literature, most of these methods are based on a volumetric calculation of the pore volume of the DSF multiplied by a storage efficiency term and do not consider the effect of site-specific dynamic factors such as injection rate, injection pattern, timing of injection, pressure interference between injection locations, and overall formation pressure buildup. These volumetric methods may be excellent for comparing the potential between particular formations or basins, but they have not been validated through real-world experience or full-formation injection simulations. Several studies have also suggested that the dynamic components of geologic storage may play the most important role in storing CO 2 in DSFs but until now have not directly compared CO 2 storage resource estimates made with volumetric methodologies to estimates made using dynamic CO 2 storage methodologies. In this study, two DSFs, in geographically separate areas with geologically diverse properties, were evaluated with both volumetric and dynamic CO 2 storage resource estimation methodologies to compare the results and determine the applicability of both approaches. In the end, it was determined that the dynamic CO 2 storage resource potential is timedependent and it asymptotically approaches the volumetric CO 2 storage resource potential over very long periods of time in the two systems that were evaluated. These results indicate that the volumetric assessments can be used as long as the appropriate storage efficiency terms are used and it is understood that it will take many wells over very long periods of time to fully realize the storage potential of a target formation. This subtask was funded through the Energy & Environmental Research Center (EERC)– U.S. Department of Energy (DOE) Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FC26-08NT43291. Nonfederal funding was provided by the IEA Greenhouse Gas R&D Programme.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

U.S. China Carbon Capture and Storage Development Project at West Virginia University

The original overall objective of this activity was to undertake resource evaluation and planning for CCS projects and to describe and quantify the geologic, environmental, and economic challenges to successful development of large-scale CCS in China’s coal sector. Several project execution barriers were encountered in the course of this project, most notably a project stop/delay due to funds availability/costing restrictions from the US State Department to the US Department of Energy at the end of CY2012, which halted project execution from January 2, 2013 to April 1, 2013. At the resolution of this project delay, it was communicated to the project team that the overall project period would also be reduced, from a completion date of February 28, 2014 to December 31, 2013. The net impact of all these changes was a reduction in the project period from 24 months (3/1/2012-2/28/2014) to 22 months (3/1/2012-12/31/2013), with a 3 month stop from 1/1/2013-3/31/2013. The project team endeavored to overcome these project time impacts, focusing heavily on technoeconomic modeling that would be deliverable under Task 3 (Ordos Basin Feasibility Study), and choosing to abandon the full investigation into the Demonstration Site (Task 4) due to the reduced project time. The ultimate focus of this project changed to work with the Chinese on a carbon atlas/geologic characterization, and on mechanisms for CO2 storage options from high-quality streams within China.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2014

Bench-Scale Silicone Process for Low-Cost CO 2 Capture (Final Scientific/Technical Report)

A bench-scale system was designed and built to test an aminosilicone-based solvent. A model was built of the bench-scale system and this model was scaled up to model the performance of a carbon capture unit, using aminosilicones, for CO 2 capture and sequestration (CCS) for a pulverized coal (PC) boiler at 550 MW. System and economic analysis for the carbon capture unit demonstrates that the aminosilicone solvent has significant advantages relative to a monoethanol amine (MEA)-based system. The CCS energy penalty for MEA is 35.9% and the energy penalty for aminosilicone solvent is 30.4% using a steam temperature of 395 °C (743 °F). If the steam temperature is lowered to 204 °C (400 °F), the energy penalty for the aminosilicone solvent is reduced to 29%. The increase in cost of electricity (COE) over the non-capture case for MEA is ~109% and increase in COE for aminosilicone solvent is ~98 to 103% depending on the solvent cost at a steam temperature of 395 °C (743 °F). If the steam temperature is lowered to 204 °C (400 °F), the increase in COE for the aminosilicone solvent is reduced to ~95-100%.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2014

Space Geodesy and Geochemistry Applied to the Monitoring, Verification of Carbon Capture and Storage

This award was a training grant awarded by the U.S. Department of Energy (DOE). The purpose of this award was solely to provide training for two PhD graduate students for three years in the general area of carbon capture and storage (CCS). The training consisted of course work and conducting research in the area of CCS. Attendance at conferences was also encouraged as an activity and positive experience for students to learn the process of sharing research findings with the scientific community, and the peer review process. At the time of this report, both students have approximately two years remaining of their studies, so have not fully completed their scientific research projects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Bench-Scale Silicone Process for Low-Cost CO 2 Capture

This report presents system and economic analysis for a carbon capture unit which uses an amino-silicone solvent for CO 2 capture and sequestration (CCS) in a pulverized coal (PC) boiler. The amino-silicone solvent is based on GAP-1 with Tri-Ethylene Glycol (TEG) as a co-solvent. The report also shows results for a CCS unit based on a conventional approach using mono-ethanol amine (MEA). Models were developed for both processes and used to calculate mass and energy balances. Capital costs and energy penalty were calculated for both systems, as well as the increase in cost of electricity. The amino-silicone solvent based system demonstrates significant advantages compared to the MEA system.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2013

Reservoir Engineering Optimization Strategies for Subsurface CO 2 Storage

The purpose of this report is to outline a methodology for calculating the optimum number of injection wells for geologic CCS. The methodology is intended primarily for reservoir pressure management, and factors in cost as well. Efficiency may come in many forms depending on project goals; therefore, various results are presented simultaneously. The developed methodology is illustrated via application in a case study of the Rocky Mountain Carbon Capture and Storage (RMCCS) project, including a CCS candidate site near Craig, Colorado, USA. The forecasting method provided reasonable estimates of cost and injection volume when compared to simulated results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

CO 2 Sequestration Capacity and Associated Aspects of the Most Promising Geologic Formations in the Rocky Mountain Region: Local-Scale Analyses

The purpose of this report is to provide a summary of individual local-­scale CCS site characterization studies conducted in Colorado, New Mexico and Utah. These site-­ specific characterization analyses were performed as part of the “Characterization of Most Promising Sequestration Formations in the Rocky Mountain Region” (RMCCS) project. The primary objective of these local-­scale analyses is to provide a basis for regional-­scale characterization efforts within each state. Specifically, limits on time and funding will typically inhibit CCS projects from conducting high-­ resolution characterization of a state-­sized region, but smaller (< 10,000 km 2 ) site analyses are usually possible, and such can provide insight regarding limiting factors for the regional-­scale geology. For the RMCCS project, the outcomes of these local-­scale studies provide a starting point for future local-­scale site characterization efforts in the Rocky Mountain region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Quantification of Wellbore Leakage Risk Using Non-destructive Borehole Logging Techniques

Well integrity is important at all potential CCS locations and may play a crucial role establishing leakage risk in areas where there is a high density of existing wells that could be impacted by the storage operations including depleted petroleum fields where EOR or CCS will occur. To address a need for risk quantification methods that can be directly applied to individual wells using borehole logging tools a study was conducted using data from five wells in Wyoming. The objectives of the study were: Objective 1: Develop methods to establish the baseline flow parameters (porosity and permeability or mobility) from individual measurements of the material properties and defects in a well. Objective 2: Develop a correlation between field flow-property data and cement logs that can be used to establish the flow-properties of well materials and well features using cement mapping tools. Objective 3: Establish a method that uses the flow-property model (Objective 2) to analyze the statistical uncertainties associated with individual well leakage that can provide basis for uncertainty in risk calculations. The project objectives were met through the logging of five wells in Carbon and Natrona County Wyoming to collect data that was used to estimate individual and average well flow properties and model the results using ultrasonic data collected during the logging. Three of the five wells provided data on point and average flow properties for well annuli. Data from the other two wells were used to create models of cement permeability and test whether information collected in one well could be used to characterize another well. The results of the in-situ point measurements were confirmed by the lab measurements sidewall cores collected near the same depths Objective 1 was met using the data collected through logging, testing, and sampling. The methods were developed that can establish baseline flow parameters of wells by both point and average test methods. The methods to estimate the flow properties modeling of point pressure tests, modeling of vertical interference tests, and laboratory measurement of cased-hole sidewall cores The wells were in sufficiently good shape to allow the development of the characterization methods while still having enough defects to study differences in results as they relate to well integrity. Samples and tests analyzed from three of five wells studied in showed the cements were largely intact and had not degraded from exposure native brines. Log results taken in conjunction with the core measurements indicate that interfaces and/or problems with cement placement due to eccentering provide preferential flow paths for fluids, which can increase the effective permeability of the barrier several orders of magnitude above the permeability of intact cement. The results of the maps created using logging tools indicating that the cement condition and bond are generally good identify a need for more research to understand how logs can be used to predicteffective well permeabilities such as those measured by the VITs in this study.

42 ENGINEERING↗