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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Plastic waste gasification for low-carbon hydrogen production: a comprehensive review

Hydrogen is one of the most important feedstocks for the chemical industry, power production, and the decarbonization of other sectors that rely on natural gas. The production of hydrogen from plastics enables sustainable use of plastic waste and offers significant environmental benefits. Gasification emerges as a promising route for chemical recycling, converting plastic into hydrogen and other valuable chemicals. Although the gasification of plastic waste has recently gained attention, the number of studies regarding low-carbon hydrogen production is still limited. The effective integration of carbon capture, utilization, and storage (CCUS) is essential for achieving low-carbon hydrogen production via gasification, which enables the efficient capture and storage of CO 2 emissions. Incorporating coal waste and biomass into plastic gasification can synergistically enhance reforming reactions for hydrogen production, reduce tar content, and resolve feeding issues caused by plastic stickiness. Based on the previous studies, this paper briefly reviews the mechanisms of plastic gasification including plastic depolymerization, reforming, tar and char formation, and gasification; the discussions on feedstocks and effects of operating conditions on H 2 production including plastic-type, temperature, steam/carbon ratio, equivalence ratio, and catalysts; and the integration of CCUS and alternative recovery processes in plastic gasification for low-carbon hydrogen.

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

Complex carbonate phases drive geologic CO2 mineralization

Abstract Geologic carbon sequestration in mafic and ultramafic reservoirs is a scalable strategy for carbon dioxide removal, offering permanent storage via mineralization as stable carbonates. However, there is limited information on the structure and composition of key mineralization endpoints during sequestration. Here, we unravel the atomic structure, composition, and nanoscale morphology of carbonates recovered from a field-scale demonstration of CO 2 mineralization in basalt. Using transmission electron microscopy, we mapped mineralogical variations from the initial to later stages of subsurface carbonate growth and identified a previously unknown cation-ordered ankerite phase that exerts a primary control over carbonation processes. This study has provided a new understanding of subsurface carbonation pathways which will impact the parameterization of predictive geochemical models for future sequestration efforts in basalt formations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Trends and limits of CO 2 capture in solid and liquid sorbents at standard conditions

Carbon capture and storage (CCS) plays a critical role in achieving climate change mitigation targets, offering a pathway to decarbonize power generation, industrial processes, and heat production while addressing atmospheric CO 2 removal. While CCS technologies are technically advanced, the widespread adoption of 100 % CO 2 capture capacities such as 1 mol of CO 2 /mol of material and 1 g CO 2 /g storage (targeted by the DARPA, Defense Sciences Office, USA Govt.) has raised questions about the feasibility of achieving higher capture capacities. In the context of limiting global warming to 1.5°C, reaching 100 % CO 2 capture capacity is increasingly necessary, with residual emissions requiring complementary carbon dioxide removal (CDR) technologies. This review exclusively focuses on the CO 2 capture capacities of various sorbents under standard conditions, using different evaluation metrics. This study explores the performance of solid and liquid sorbents under standard conditions, analyzing factors including surface area, pore structure, solvent type, and functionalization to identify materials optimized for industrial-scale CCS applications. Emerging sorbents, including ILs, MOFs, COFs, POPs, DES, RCC, hybrid materials, and reactive sorbents, offer significant potential for enhanced selectivity and energy-efficient regeneration. Through a systematic assessment of gravimetric, volumetric, and molar capacities, the study provides insights into material efficiencies and trade-offs, offering guidance on optimizing sorbent selection for specific applications. The research advances understanding of scalable CCS technologies, contributing to global efforts to achieve net-zero emissions and address the pressing challenge of climate change.

Absorption↗
DOE OSTI2021

Coordinatively and Spatially Coconfining High-Loading Atomic Sb in Sulfur-Rich 2D Carbon Matrix for Fast K + Diffusion and Storage

The atomically dispersed materials promise ultrafast redox kinetics for alkali-ion storage. However, their relatively low mass loading limits their application. In this work, well-dispersed Sb atoms with high-loading of 23.3 wt % anchored in sulfur-rich amorphous carbon-coated reduced graphene oxide matrix (SbSA/C) are prepared by a coordinative and spatial coconfinement methodology including freeze-casting the well-dissolved Sb-chelates (Sb-thioglycolate) within graphene oxide suspension and post heating-treatment. The reduced graphene oxide substrate features open two-dimensional spatial framework for loading atomically dispersive Sb species, and the pyrolyzed Sb-chelates would provide not only massive desirable heteroatoms (S, O) for coordinating the Sb atoms but also in situ pyrolytic carbon for further spatially separating those dispersive atoms. The coordinative and spatial coconfinement engineering also endows the SbSA/C composite with atomic-level Sb atoms against migration and agglomeration during electrochemical K-storage cycling. In situ TEM reveals the uniform potassiation behavior of the SbSA/C without obvious volume change; DFT calculation and electrochemical characterization suggest the significantly lower K-ion diffusion energy barrier. Therefore, on the basis of both the active Sb center and the coordinative heteroatom, the SbSA/C electrode delivers high fast-charging capacity, outstanding rate capability and long-lifespan performance in half/full K-ion batteries (e.g., a stable capacity of 331.3 mA h g –1 is maintained over 1100 cycles at 1.0 A g –1 for half-cell).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Resolving the Chemical Formula of Nesquehonite via NMR Crystallography, DFT Computation, and Complementary Neutron Diffraction

Nesquehonite is a magnesium carbonate mineral relevant to carbon sequestration envisioned for carbon capture and storage of CO 2 . Its chemical formula remains controversial today, assigned as either a hydrated magnesium carbonate [MgCO 3 · 3H 2 O], or a hydroxy- hydrated- magnesium bicarbonate [Mg(HCO 3 )OH · 2H 2 O]. Here, the resolution of this controversy is central to understanding this material‘s thermodynamic, phase, and chemical behavior. In an NMR crystallography study, using rotational-echo double-resonance 13 C{ 1 H} (REDOR), 13 C- 1 H distances are determined with precision, and the combination of 13 C static NMR lineshapes and density functional theory (DFT) calculations are used to model different H atomic coordinates. [MgCO 3 · 3H 2 O] is found to be accurate, and evidence from neutron powder diffraction bolsters these assignments. Refined H positions can help understand how H-bonding stabilizes this structure against dehydration to MgCO 3 . More broadly, these results illustrate the power of NMR crystallography as a technique for resolving questions where X-ray diffraction is inconclusive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Data-driven design of metal–organic frameworks for wet flue gas CO 2 capture

Limiting the increase of CO 2 in the atmosphere is one of the largest challenges of our generation. Because carbon capture and storage is one of the few viable technologies that can mitigate current CO 2 emissions, much effort is focused on developing solid adsorbents that can efficiently capture CO 2 from flue gases emitted from anthropogenic sources. One class of materials that has attracted considerable interest in this context is metal-organic frameworks (MOFs), in which the careful combination of organic ligands with metal-ion nodes can, in principle, give rise to innumerable structurally and chemically distinct nanoporous MOFs. However, many MOFs that are optimized for the separation of CO 2 from nitrogen do not perform well when using realistic flue gas that contains water, because water competes with CO 2 for the same adsorption sites and thereby causes the materials to lose their selectivity. Although flue gases can be dried, this renders the capture process prohibitively expensive. Here we show that data mining of a computational screening library of over 300,000 MOFs can identify different classes of strong CO 2 -binding sites-which we term 'adsorbaphores'-that endow MOFs with CO 2 /N 2 selectivity that persists in wet flue gases. We subsequently synthesized two water-stable MOFs containing the most hydrophobic adsorbaphore, and found that their carbon-capture performance is not affected by water and outperforms that of some commercial materials. Testing the performance of these MOFs in an industrial setting and consideration of the full capture process-including the targeted CO 2 sink, such as geological storage or serving as a carbon source for the chemical industry-will be necessary to identify the optimal separation material.

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

Reversal of carbonate-silicate cation exchange in cold slabs in Earth’s lower mantle

The stable forms of carbon in Earth’s deep interior control storage and fluxes of carbon through the planet over geologic time, impacting the surface climate as well as carrying records of geologic processes in the form of diamond inclusions. However, current estimates of the distribution of carbon in Earth’s mantle are uncertain, due in part to limited understanding of the fate of carbonates through subduction, the main mechanism that transports carbon from Earth’s surface to its interior. Oxidized carbon carried by subduction has been found to reside in MgCO 3 throughout much of the mantle. Experiments in this study demonstrate that at deep mantle conditions MgCO 3 reacts with silicates to form CaCO 3 . In combination with previous work indicating that CaCO 3 is more stable than MgCO 3 under reducing conditions of Earth’s lowermost mantle, these observations allow us to predict that the signature of surface carbon reaching Earth’s lowermost mantle may include CaCO 3 .

58 GEOSCIENCES↗
DOE OSTI2021

Unraveling the Ion Adsorption Kinetics in Microporous Carbon Electrodes: A Multiscale Quantum-Continuum Simulation and Experimental Approach

With the understanding that sorption in porous carbon electrodes is crucial to many environmental and energy technologies, such as capacitive deionization (CDI), supercapacitor energy storage, and activated carbon filters. In each of these examples, a practical model that can describe ion electrosorption kinetics is highly desirable for accelerating material design. Here, we proposed a multiscale model to study the ion electrosorption kinetics in porous carbon electrodes by combining quantum mechanical simulations with continuum approaches. Our model integrates the Butler-Volmer (BV) equation for sorption kinetics and a continuously stirred tank reactor (CSTR) formulation with atomistic calculations of ion hydration and ion-pore interactions based on density functional theory (DFT). We validated our model experimentally by using ion mixtures in a flow-through electrode CDI device and developed an in-line UV absorption system to provide unprecedented resolution of individual ions in the separation process. We showed that the multiscale model captures unexpected experimental phenomena that cannot be explained by the traditional ion electrosorption theory. The proposed multiscale framework provides a viable approach for modeling separation processes in systems where pore sizes and ion hydration effects strongly influence the sorption kinetics, which can be leveraged to explore possible strategies for improving carbon-based and, more broadly, pore-based technologies

36 MATERIALS SCIENCE↗
DOE OSTI2024

Abstract for CRADA between NETL and Louisiana State University

The National Energy Technology Laboratory (NETL) and Louisiana State University (PARTICIPANT) will collaborate in developing and testing distributed optical fiber CO 2 sensors for CO 2 storage site monitoring. Safe and reliable monitoring of CO 2 storage sites and transport infrastructure is critical for ensuring the long-term effectiveness and integrity of carbon capture and storage (CCS). In this project, the objective is to develop a novel optical fiber-based distributed CO 2 sensor for long-term monitoring of CCS sites and CO 2 pipelines and also implement machine learning to automate leak and structural anomaly detection. This effort aligns with NETL’s mission in reliable and sustainable energy and decarbonization.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Quantifying atmospheric carbon removal at pulp and paper mills: a life cycle assessment across system boundaries

The pulp and paper industry is a promising yet underexplored platform for large-scale carbon dioxide removal (CDR) due to its use of biogenic feedstocks and production of concentrated CO 2 emissions from point sources. This study presents the first comprehensive life cycle assessment (LCA) of retrofitting an amine-based carbon capture and storage (CCS) system into a representative virgin kraft pulp and paper mill in the Southeastern U.S. We evaluate carbon removal across five system configurations, applying both static and dynamic LCA methods under multiple functional units: CO 2 captured, biomass input, and paper output. Results show that CCS retrofits can convert a conventional mill from a net emitter into a net carbon sink, with total removal efficiencies from 17% to 92% (metric tonnes of CO 2 removed per metric tonne of CO 2 available for removal under selected boundary conditions). When carbon removal is normalized to the quantity of biogenic CO 2 captured—a narrow, gate-to-gate system boundary that considers only CCS facility emissions—removal efficiencies reached as high as 92%. The use of such narrow boundaries aligns with precedents in traditional LCA methodology, where gate-to-gate assessments are commonly applied to isolate process-level performance and allocate emissions accordingly, providing a consistent basis for comparison across technologies. Under broader cradle-to-grave boundaries—which begin tracking carbon at the point of its physical removal from the atmosphere via photosynthesis in the forest, and extend to include upstream forest operations, mill-wide emissions, and downstream product decomposition—efficiencies declined, ranging from 17% to 46% under static assumptions and dropping to 12% when accounting for dynamic biogenic carbon fluxes over time. These results underscore how system boundary definitions influence reported outcomes, while also illustrating the complementary roles of narrow and broad perspectives for different decision-making contexts.

09 BIOMASS FUELS↗
DOE OSTI2021

A Rechargeable Carbon-Oxygen Battery for Efficient, Low-Cost Energy Storage

As part of the Cyclotron Road program, Noon Energy Inc investigated the feasibility of a new class of rechargeable flow battery for long-duration energy storage at the 100+ hour storage capacities needed to make intermittent solar/wind power available 24/7 year-round. Whereas conventional batteries store energy in relatively expensive metals like cobalt, lithium, and vanadium, the new battery stores energy in abundant, ultra-low-cost carbon and oxygen, storage media that cost well below $1 per kWh capacity (less than the cost of their containers). It also can operate with a high roundtrip energy efficiency of ~80% and has 10x higher energy density than conventional aqueous flow batteries, even higher than lithium ion batteries at system level. These properties make it suitable for a variety of potential stationary energy storage applications as well as for electric transportation vehicles (long-haul marine shipping and trucking), so determining the best product-market fit and market entry was a key outcome of Noon’s Cyclotron Road fellowship. Noon had demonstrated initial materials development and proof-of-principle testing before the fellowship. Overall, within the fellowship Noon carried out key initial technology development in market applications, system design, risk assessment and prototyping.

25 ENERGY STORAGE↗
DOE OSTI2023

Carbon Mitigation Potential of Heat Pump Integrated with Thermal Storage for Grid-Interactive Residential Buildings

Residential buildings’ heating and cooling loads are associated with significant carbon emissions and peak electricity demand. Phase change material (PCM) based thermal energy storage (TES) can be used for space heating and cooling by embedding into the heat pump equipment. Past work on TES integrated with heat pumps (HP) has demonstrated significant load shifting and economic benefits. However, the potential for TES to reduce carbon emissions has not been widely explored. This study evaluates carbon mitigation potential of an ice-based TES coupled to HP (HP-TES) based on a simple rule-based control strategy accounting for electric grid emissions data. A vapor compression HP model using Engineering Equation Solver (EES). The modeled HP-TES system for single-family residential building demonstrates decreased carbon emissions with reduced peak utility cost.

Sultan, Sara↗
DOE OSTI2022

Integrated Hydrogen Energy Storage System (IHESS) for Power Generation (Final Report)

GTI Energy partnered with Praxair Inc., a subsidiary of Linde PLC (Praxair), the Center for Electromechanics at the University of Texas at Austin (CEM), Entergy Corporation (Entergy), Quanta Services (Quanta) and Mitsubishi Heavy Industries (MHI) to perform a feasibility study that determines the economic and technical feasibility of low-carbon hydrogen energy storage integrated with a site-specific fossil fuel asset to decarbonize electricity production using the Integrated Hydrogen Energy Storage System (IHESS). The proposed IHESS concept is novel, as it sought to leverage the existing natural gas infrastructure, hydrogen production and pipelines, existing underground hydrogen storage system and power plants in the Gulf Coast region to reduce carbon emissions and generate lowcarbon electricity. This study has shown that IHESS has a promising commercial outlook as the concept leverages existing natural gas infrastructure assets and hydrogen production and storage that are unique to the Texas gulf coast region. A key hurdle with hydrogen supply and transportation has been capital investment. By storing hydrogen in underground storage and delivering it as a fuel source during peak demand using the existing infrastructure minimizes the capital investment. Regional petrochemical producers who are actively seeking opportunities to reduce costs and lower emissions should find the IHESS concept very appealing.

03 NATURAL GAS↗
DOE OSTI2024

Analysis of carbon capture at cellulosic biorefineries

The large-scale production of cellulosic biofuels would involve spatially distributed systems including biomass fields, logistics networks and biorefineries. Better understanding of the interactions between landscape-related decisions and the design of biorefineries with carbon capture and storage (CCS) in a supply chain context is needed to enable efficient systems. Here we analyse the cost and greenhouse gas mitigation potential for cellulosic biofuel supply chains in the US Midwest using realistic spatially explicit land availability and crop productivity data and consider fuel conversion technologies with detailed CCS design for their associated CO2 streams.

carbon capture and storage (CCS)↗
DOE OSTI2023

Flexible Oxy-Fuel Combustion for High-Penetration Variable Renewables

A thermodynamic model was developed for the oxy-combustion Allam-Fetvedt cycle. This information was then used to develop an optimized dispatch strategy using price strips supplied by the modeling teams. The price strips represent future possible grid configurations that include a high penetration of variable renewables and a carbon tax. Multiple optimization strategies and tools were used to maximize the net present value (NPV) of the plant on these potential future grids. The optimization varied the size of the air separation unit, the size of oxygen storage tanks, the size of carbon dioxide storage tanks and the flow rate of the carbon dioxide pipeline. The team was able to determine a dispatch strategy that resulted in a positive NPV for all price strips. This indicates that an oxy-combustion plant with oxygen storage would be economically viable on a future grid with a high degree of variable renewables.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Robust paths to net greenhouse gas mitigation and negative emissions via advanced biofuels

Biofuel and bioenergy systems are integral to most climate stabilization scenarios for displacement of transport sector fossil fuel use and for producing negative emissions via carbon capture and storage (CCS). However, the net greenhouse gas mitigation benefit of such pathways is controversial due to concerns around ecosystem carbon losses from land use change and foregone sequestration benefits from alternative land uses. Here, we couple bottom-up ecosystem simulation with models of cellulosic biofuel production and CCS in order to track ecosystem and supply chain carbon flows for current and future biofuel systems, with comparison to competing land-based biological mitigation schemes. Analyzing three contrasting US case study sites, we show that on land transitioning out of crops or pasture, switchgrass cultivation for cellulosic ethanol production has per-hectare mitigation potential comparable to reforestation and severalfold greater than grassland restoration. In contrast, harvesting and converting existing secondary forest at those sites incurs large initial carbon debt requiring long payback periods. We also highlight how plausible future improvements in energy crop yields and biorefining technology together with CCS would achieve mitigation potential 4 and 15 times greater than forest and grassland restoration, respectively. Finally, we show that recent estimates of induced land use change are small relative to the opportunities for improving system performance that we quantify here. While climate and other ecosystem service benefits cannot be taken for granted from cellulosic biofuel deployment, our scenarios illustrate how conventional and carbon-negative biofuel systems could make a near-term, robust, and distinctive contribution to the climate challenge.

54 ENVIRONMENTAL SCIENCES↗