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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Synthesis of Carbohydrates from Methanol Using Electrochemical Partial Oxidation over Palladium with the Integrated Formose Reaction

Electrochemically derived multicarbon products are a golden target for valorization of captured carbon dioxide due to the potential of turning a waste product into useful commodity chemicals with renewable energy sources. As a tantalizing approach toward their synthesis, the formose reaction utilizes catalytic condensation of formaldehyde to generate carbohydrates. Furthermore, while a sustainable approach to artificial carbohydrate production through electrochemical generation of formaldehyde is desirable, to date, it has not been fully realized. Here, we study the electrocatalytic conversion of methanol to formaldehyde on palladium with faradaic efficiency of over 90% at 0.9 V vs Ag/AgCl and with the partial current density of nearly 3 mA cm -2 at 1.6 V vs Ag/AgCl. We observe the concurrent generation of palladium oxides as a consequence of the high overpotentials employed, which may partially explain the higher selectivity toward the partial oxidation product. Moreover, we demonstrate that formaldehyde produced electrochemically from methanol is feasible for formose reactions without the need for further purification, achieving 21-28% carbon conversion to carbohydrates. This process, therefore, represents a potential avenue for the electrochemical generation of formaldehyde and its utilization in generating multicarbon products inaccessible by other electrocatalytic means.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Ba 1−x Sr x FeO 3−δ as an improved oxygen storage material for chemical looping air separation: a computational and experimental study

Chemical looping air separation (CLAS) is a promising technology to generate oxygen-rich gas streams to enable efficient carbon dioxide capture during fossil fuel combustion or gasification. CLAS relies on the capture and release of oxygen from the atmosphere using the redox properties of an oxygen-selective solid oxide carrier. This study investigates the redox characteristics of Ba 1−x Sr x FeO 3−δ (0.0 ≤ x ≤ 0.417, 0.0 ≤ δ ≤ 0.5) using a combination of density functional theory (DFT) calculations and experimental verification using X-ray diffraction, thermogravimetric analysis, and oxygen-temperature-programmed desorption. The DFT computed energies of the Ba 1−x Sr x FeO 3−δ perovskites reveal a composition-dependent transition from hexagonal to cubic phases as the Sr-concentration or oxygen vacancy concentration increases. Oxygen vacancy formation energies of the cubic perovskites are found to be lower than those of their hexagonal counterparts. A low oxygen diffusion barrier of ∼1 eV combined with the thermodynamic preference of Ba 1−x Sr x FeO 3−δ compositions that form in a cubic phase suggests them as promising candidates for oxygen storage applications. The experimental results corroborate this finding by identifying Ba 0.75 Sr 0.25 FeO 3−δ in the cubic phase as an optimal composition offering low-temperature oxygen storage capacities comparable to that of the state-of-the-art Sr 0.75 Ca 0.25 FeO 3−δ perovskite oxygen storage material at 325 °C and 350 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Time-lapse seismic data inversion for estimating reservoir parameters using deep learning

Geologic carbon sequestration involves the injection of captured carbon dioxide ([Formula: see text]) into subsurface formations for long-term storage. The movement and fate of the injected [Formula: see text] plume is of great concern to regulators because monitoring helps to identify potential leakage zones and determines the possibility of safe long-term storage. To address this concern, we design a deep-learning framework for [Formula: see text] saturation monitoring to determine the geologic controls on the storage of the injected [Formula: see text]. We use different combinations of porosities and permeabilities for a given reservoir to generate saturation and velocity models. We train the deep-learning model with a few time-lapse seismic images and their corresponding changes in saturation values for a particular [Formula: see text] injection site. The deep-learning model learns the mapping from the change in the time-lapse seismic response to the change in [Formula: see text] saturation during the training phase. We then apply the trained model to data sets comprising different time-lapse seismic image slices (corresponding to different time instances) generated using different porosity and permeability distributions that are not part of the training to estimate the [Formula: see text] saturation values along with the plume extent. Our algorithm provides a deep-learning assisted framework for the direct estimation of [Formula: see text] saturation values and plume migration in heterogeneous formations using the time-lapse seismic data. Our method improves the efficiency of time-lapse inversion by streamlining the large number of intermediate steps in the conventional time-lapse inversion workflow. This method also helps to incorporate the geologic uncertainty for a given reservoir by accounting for the statistical distribution of porosity and permeability during the training phase. Tests on different examples verify the effectiveness of our approach.

Geochemistry & Geophysics↗
DOE OSTI2022

Low-Cost Recyclable Oxygen Carrier and Novel Process for Chemical Looping Combustion

The University of North Dakota, through its Institute for Energy Studies and Energy & Environmental Research Center, partnered with Envergex LLC, Barr Engineering and Microbeam Technologies to develop a transformational enabling technology for advancement of Chemical Looping Combustion technology. Industrial support was provided by Carbontec Energy Corporation. The project targeted the two biggest challenges to chemical looping combustion: (1) High costs of oxygen carrier replacement/loss due to expensive manufacturing and high replacement rates from physical attrition and/or decrease in reactivity, and (2) Inherently slow fuel char conversion which represents the rate-limiting step for chemical looping combustion and results in very large equipment sizes, and overall lower carbon dioxide capture efficiency. The project activities were addressed in a series of seven tasks. Task 1 extended throughout the entire project and oversaw project management and execution. Task 2 and 3 focused on development and evaluation of the novel oxygen carrier. Task 4 to 7 focused on design of the novel reactor, testing with the novel oxygen carrier and a techno-economic assessment of the process. The list of tasks are: Task 1 – Project management and planning, Task 2 – Laboratory scale oxygen carrier manufacturing and assessment, Task 3 – Modeling and laboratory-scale evaluation of oxygen carrier performance with coal, Task 4 – 10-kilowatt thermal integrated system installation, Task 5 – Scaled-up oxygen carrier manufacturing, Task 6 – 10-kilowatt testing, and Task 7 – Process design and techno-economic analysis.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

CalTestBed - Opus 12 - Study of Diffusion Media and Polymer Electrolyte Materials in Devices for CO2 to Fuels (CRADA Final Report)

Capturing carbon dioxide is one of the great ways to reduce the CO2 in the atmosphere while providing valuable renewable energy. Opus 12 is a Cyclotron Road startup using a membrane-electrode assembly (MEA) design. LBNL helped Opus 12 optimize its MEA design in this project through materials characterization and in situ studies. The finding of this project was used to develop a set of ideas for their MEA improvement under different operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Cost of Capturing CO 2 from Industrial Sources

The objective of this study is to provide an estimate of the cost to capture carbon dioxide (CO 2 ) from select industrial processes (ammonia, ethylene oxide, ethanol, natural gas processing, coal-to-liquids, gas-to-liquids, refinery hydrogen, cement, iron/steel, and pulp/paper). Each of the ten processes were chosen for analysis due to either the high purity of the CO 2 emission source (99–100 mole percent CO 2 ) or the large quantity of CO 2 potentially available. For each industrial process considered, available plant information, such as existing average plant size, projected new development plant size, or existing plant operations data was used to develop a reference plant for this study.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

NETL’s Perspective on Storage Efficiency and CO2-SCREEN

Carbon capture and storage (CCS) is a process that captures carbon dioxide (CO2) by separating it from anthropogenic emissions sources before atmospheric release and storing that CO2 in deep geologic reservoirs. CCS is a powerful method for reducing anthropogenic CO2 which can ultimately diminish the effects of climate change. Prospective CO2 storage resource is the amount of carbon dioxide that can be stored in a given geologic formation typically given as a mass (e.g., metric tons). Obtaining accurate estimates of CO2 storage resources is necessary for governments and industries to make energy-related policy decisions. Researchers at the National Energy Technology Laboratory (NETL) under the Department of Energy (DOE) developed a methods and a tool [CO2-SCREEN (Storage prospeCtive Resource Estimation Excel aNalysis) to estimate prospective carbon storage resources for saline formations, unconventional shale formations, and residual oil zones. The methods and tool provide CO2 storage and efficiency outputs in the form of probability estimates (i.e. P10 and P90) as well as partitioning storage and efficiency estimates based on storage mechanism (total, free phase, sorbed phase, and dissolution phase). This presentation will focus on how storage efficiency is calculated based on numerical modeling efforts, how it’s applied in the storage methods and tool, and then highlighting needs for future development.

Hanson, Angela Goodman↗
DOE OSTI2024

Abstract for CRADA between National Energy Technology Laboratory and Elysia LLC

The National Energy Technology Laboratory (NETL) and Elysia Labs LLC are embarking on a collaborative project to develop and evaluate a low-cost, high-performance carbon dioxide capture process for the burgeoning Direct Air Capture (DAC) industry. The partnership will focus on developing an electrospun fiber based air contactor that promises higher efficiency and lower costs to set a new standard in the DAC field. The expected outcomes of this collaboration include the creation of a DAC contactor that significantly outperforms existing technologies in cost, capacity, cycle time, regeneration energy, and durability. This project is a result of an awarded project from the Department of Energy’s Direct Air Capture Pre-Commercialization Technology Prize.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

CO2 hydrate crystal thickening, morphology, and Raman spectroscopy in a microfluidic device

Gas hydrates are a solid, crystalline form of water that often form at low temperatures and high pressures. Carbon dioxide (CO2) hydrates may form during carbon dioxide capture and storage (CCS) processes. These solid compounds may form in CO2 pipelines, potentially leading to a full blockage and process shutdown for plug removal. On the other hand, formation of CO2 hydrates may be desired for CO2 capture and separation. In either case, understanding the growth behavior and nature of the hydrates is vital to managing these CCS processes. Using a high-pressure, transparent microfluidic reactor, the crystalline film thickening of CO2 hydrates was observed and measured through visual microscopy and Raman spectroscopy. The impact of subcooling, pressure, and CO2 flow rate was investigated, and only CO2 flow rate was found to have a significant impact on the overall thickness of the film. Visual observations and Raman spectroscopy measurements confirmed that two distinct hydrate layers formed during thickening, one which was more porous than the other. The capillary-like channels in the porous layer indicated a mechanism for mass transfer of water through the hydrate layer. A model was developed based on this observation, and it was fit to the thickening data in order to obtain mass transfer coefficients. Results of this study can be applied to CO2 hydrate formation in pipelines and near porous media used for CO2 capture.

Wadsworth, Lindsey [Colorado School of Mines, Gold↗
DOE OSTI2022

Conceptual Design of Pulverized Coal Electricity Generating Units for Flexible Operation

This presentation was given by Marc Turner, NETL Support Contractor, at the International Center for Sustainable Carbon's "The Energy Transition - the Role for Sustainable Carbon" workshop held in Sardinia, Italy on November 16-18, 2022. The presentation addresses the NETL report titled "Conceptual Design of Pulverized Coal Electricity Generating Units for Flexible Operation" published on September 6, 2022. This study presents an independent conceptual assessment of the features, cost, and performance of pulverized coal power plants (without carbon dioxide capture) intended for flexible, rather than baseload, operation. The objective was to leverage the already substantial knowledge base about flexible operation and develop state-of-the-art pulverized coal power plant cases that are designed to accommodate flexible operation within an electric grid having a high level of renewable generation. This is of significant importance in coal-dependent regions of the world as variable renewable energy becomes more prevalent.

Turner, Marc↗
DOE OSTI2022

Techno-economic Analysis for a Low Cost and Recyclable Oxygen Carrier

The novelty of a chemical looping combustion (CLC) process is its ability to oxidize solid or gaseous fuels in a nitrogen-free environment eliminating the need for post combustion carbon dioxide capture. The technology is based on the oxygen carrier (OC); a metal oxide that at high temperatures can undergo a reduction reaction with a fuel, followed by an oxidation reaction with air. Successful development of CLC processes is dependent on the OC having: low cost, high attrition resistance under CLC conditions, and high reactivity for coal. In this paper, we discuss the development of a novel iron-based OC formulation produced from low cost and abundant raw materials. The active OC components are recyclable, with reformulated material performance comparable to the virgin OC, even when reformulated with ash contents of up to 10%. Furthermore, we discuss a techno-economic analysis for a centrally located OC facility for the novel OC, with a production capacity of 1 million metric tonnes per year. The facility serves a hypothetical market comprising 25 chemical looping combustion facilities, averaging 5 tonnes per hour OC replacement per facility. Estimates for the cost of the OC are around $150/tonne, and include an energy-to-power option to improve process economics.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Predicting Geologic Behavior in Carbon Storage Projects Using Graph Neural Network

This study was invited to presented at NVIDIA's GTC conference to highlight the potential of Graph Neural Network as a novel and promising methodology for predicting pressure and saturation evolution in carbon storage projects. Carbon capture and storage (CCS) technology plays a pivotal role in mitigating greenhouse gas emissions, facilitating the transition to a low-carbon future. Effective management of subsurface reservoirs is essential to ensure the safe and efficient storage of captured carbon dioxide (CO₂). Accurate predictions of pressure and saturation over time are critical for evaluating the long-term performance and integrity of CCS projects. In recent years, Graph Neural Network (GNN) has emerged as a powerful framework for analyzing complex data in graph-structured domains. This abstract explores the application of GNN to forecast pressure and saturation evolution in carbon storage projects. Traditional numerical simulations of subsurface reservoirs have proven successful in providing pressure and saturation forecasts. However, these simulations involve massive amounts of computational effort and require extensive domain expertise for proper model calibration and validation. Graph Neural Operator offers an alternative approach that harnesses the inherent graph structure of reservoirs, where nodes represent reservoir grid cells and edges represent the geological connectivity between them.

Shih, Chung Yan↗
DOE OSTI2022

Advances in Carbon Capture and Use (CCU) Technologies: A Comprehensive Review and CO2 Mitigation Potential Analysis

One of society’s major current challenges is carbon dioxide emissions and their consequences. In this context, new technologies for carbon dioxide (CO2) capture have attracted much attention. One of these is carbon capture and utilization (CCU). This work focuses on the latest trends in a holistic approach to carbon dioxide capture and utilization. Absorption, adsorption, membranes, and chemical looping are considered for CO2 capture. Each CO2 capture technology is described, and its benefits and drawbacks are discussed. For the use of carbon dioxide, various possible applications of CCU are described, starting with the utilization of carbon dioxide in agriculture and proceeding to the conversion of CO2 into fuels (catalytic processes), chemicals (photocatalytic processes), polymers, and building supplies. For decades, carbon dioxide has been used in industrial processes, such as CO2-enhanced oil recovery, the food industry, organic compound production (such as urea), water treatment, and, therefore, the production of flame retardants and coolants. There also are several new CO2-utilization technologies at various stages of development and exploitation, such as electrochemical conversion to fuels, CO2-enhanced oil recovery, and supercritical CO2. At the end of this review, future opportunities are discussed regarding machine learning (ML) and life cycle assessment (LCA).

Peres, Christiano B.↗
DOE OSTI2021

Tailoring Cementitious Materials Towards Value-Added Use of Large CO 2 Volumes

Hydraulic cements with alternative chemistries were developed for large-volume and value-added use of carbon dioxide. The hydraulic cements were processed using the energy-efficient mechanochemical technique at room temperature and atmospheric pressure. Carbon dioxide was captured directly from combustion emissions during processing. For this purpose, mechanochemical processing of hydraulic cements was accomplished under a flow of combustion emissions prior to the release of emissions to the atmosphere. The process removed a significant fraction of carbon dioxide from combustion emissions. The hydraulic cements captured carbon dioxide at about 10% of their weight. Two hydraulic cement chemistries were developed, and their mechanochemical processing was successfully scaled-up. The characteristic feature of one chemistry was its relatively low (near-neutral) pH where the integration of carbon dioxide yielded clear value. The second cement chemistry was based on alkali activation of industrial wastes. This chemistry could make value-added use of carbon dioxide, but it had to be refined to control the pH drop caused by CO 2 integration. These two cements render binding effects upon hydration by forming a combination of stable carbonates and aluminosilicates or phosphates. Efforts to develop cement chemistries based solely on carbonates were not successful. The mechanochemical process was found to integrate carbon dioxide into the alternative cement chemistries in the form of disordered and metastable carbonates. During hydration reactions, the disordered/metastable carbonates are either transformed into stable carbonate phases with desired binding efforts, or carbonates get integrated into the primary inorganic binders (hydrates). When compared with mechanochemical processing in pure carbon dioxide, mechanochemical processing in combustion emissions produced hydraulic cements with improved engineering properties. The mechanochemical process was scaled-up, and its variables as well as the raw materials formulations were optimized for implementation at pilot scale. Scale-up was found to enhance the carbon capture potential and the engineering qualities of the resulting hydraulic cements. This was because scale-up raises the intensity of mechanical energy input to raw materials. Certain mechanochemical phenomena cannot be induced, irrespective of the cumulative mechanical energy input, unless the intensity of impact is raised above a minimum level that cannot be achieved in laboratory-scale implementation of the process. Due to this effect, the duration of the mechanochemical process as well as its energy demand could be reduced significantly (by an order of magnitude) upon transition from laboratory to pilot scale, with the hydraulic cements produced at pilot scale offering engineering properties that were superior to those realized in laboratory-scale mechanochemical processing. The hydraulic cements produced at pilot scale via mechanochemical processing under a flow of combustion emissions were thoroughly characterized. They were found to meet standard requirements for ‘General Use’ hydraulic cements. They were compatible with the industrial-scale concrete production and construction practices that are used with the currently prevalent hydraulic cements. The new hydraulic cements with integrated carbon dioxide were found to offer distinct advantages over the currently prevalent Portland cement in terms of net carbon footprint and energy content. The combined raw materials and energy costs of the new hydraulic cements are competitive, and major cost savings can be realized because of the simplified production process that significantly lowers the capital investment in cement production plants. Mechanochemical processing of the new hydraulic cements under a flow of combustion emissions can be implemented using some existing components of cement manufacturing plants; this facilitates adoption of the technology by the cement industry.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Porous Organic Cages CC3 and CC2 as Adsorbents for the Separation of Carbon Dioxide from Nitrogen and Hydrogen

The selective capture of carbon dioxide over nitrogen and hydrogen is of great industrial interest in flue gas and hydrogen purification respectively. Microporous adsorbents are highly suitable materials to preferentially adsorb gases. Here, in particular, Porous organic cages (POCs) with tunable hierarchically ordered micropores, high surface area, and thermodynamic affinity for CO 2 make them appealing candidates for these applications. Herein, we demonstrate that two prototypical POCs denoted as CC3, and CC2 with limiting pore aperture of 3.6 Å can selectively separate CO 2 from N 2 , and H 2 . For CC3 adsorption selectivities as high as ~ 8 and ~20 for CO 2 /N 2 and CO 2 /H 2 respectively were observed. For CC2 adsorption selectivities as high as ~ 9 and ~35 for CO 2 /N 2 and CO 2 /H 2 respectively were observed. Interestingly, the adsorption selectivity of the studied gases correlated linearly with polarizability selectivity.

Carbon Dioxide↗
DOE OSTI2020

Sorption Enhanced Mixed Matrix Membranes for Hydrogen (H 2 ) Purification and Carbon Dioxide (CO 2 ) Capture

The technical objective of this project was to develop sorption enhanced mixed matrix membranes with H 2 permeance of 500 gas permeance units (GPU) and H 2 /CO 2 selectivity of 30 at 150-200 °C. These membranes will be the central component in the design of membrane based systems for 90% capture of CO 2 from coal-derived syngas, with 95% CO 2 purity at a cost of electricity 30% less than baseline capture approaches. The unique approach in this proposal is to design crosslinked polymers containing Pd-based nanoparticles achieving strong H 2 sorption and size sieving ability and thus H 2 /CO 2 selectivity. The specific objectives for each budget period (BP) are described below. BP 1: Identify polymer matrix with strong size sieving ability and palladium (Pd)-containing nanomaterials to prepare freestanding mixed matrix films with H 2 permeability of 50 Barrer and H 2 /CO 2 selectivity of 30 at 150-200°C with simulated syngas. BP 2: Prepare and optimize thin film mixed matrix composite membranes materials with H 2 permeance of 500 GPU and H 2 /CO 2 selectivity of 30 at 150-200 °C, and complete the modification of the membrane test unit for the field test in the BP 3. BP 3: Conduct a 20-day field test of the membranes with real syngas at Center for Advanced Energy Research (CAER) of the University of Kentucky (UKy). During the BP2, we have successfully prepared thin-film composite (TFC) membranes based on mixed matrix materials (MMMs) containing Pd nanoparticles in polymers, and demonstrated their superior and robust performance for H 2 /CO 2 separation at 150 – 225 °C. (1) Production of the Pd based nanoparticles with a diameter of 4 nm has been scaled up to 200 mg/day. (2) We have prepared TFC membranes with H 2 permeance above 500 GPU and H 2 /CO 2 selectivity above 30 at temperatures up to 225 °C, which meet the targets for the BP2. (3) We have conducted parametric studies of TFC membranes with a mixed gas containing H 2 S and H 2 O and demonstrated the stability of the membranes. (4) We have established a new testing plan at the Center for Advanced Energy Studies (CAER) at the University of Kentucky because NCCC decided to shut down their gasifier. During this project, four Ph.D. students received the inter-disciplinary training and graduated, including Shailesh Konda, Maryam Omidvar, Deqiang Yin, and Lingxiang Zhu. One postdoctoral researcher (Dr. Liang Huang) and two Ph.D. students (Abhishek Kumar and Hien Nguyen) are involved in this project. The project leads to one provisional patent application, eight peer-reviewed articles, and one manuscript in preparation. The details are shown below.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

MCM (Marine Carbon Management) [SWR-24-122]

The marine carbon management software is an open-source Python based software that contains generic models for marine carbon capture, marine carbon dioxide removal, marine carbon capture and utilization, marine carbon capture and storage. The models include design parameters, operational conditions and scenarios and technology costs.

Niffenegger, James↗