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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
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 OSTI2025

CO 2 Transport Infrastructure Outlook in the United States

Carbon capture and storage (CCS) represents one of the most important methods to mitigate anthropogenic carbon emissions at a large scale, playing a key role in meeting climate change targets (Bui et al., 2018) and for net-zero CO 2 by 2050 scenarios in the United States (Browning et al., 2023). This technology involves capturing CO 2 emissions from industrial processes, transporting them via pipelines, trucks, rails, or ships, and ultimately storing them in underground geological sites, such as saline aquifers or depleted oil reservoirs. Thus, to encourage carbon reduction initiatives, the U.S. Congress enacted the Bipartisan Budget Act in 2018, reforming the 45Q tax credit to benefit operators storing CO 2 in geologic formations (Jones and Sherlock, 2021). Additionally, the 2022 Inflation Reduction Act further expanded these incentives, providing additional support for CCS initiatives (Hackett and Kuehn, 2023). Although numerous studies describe the importance of optimal CO 2 transportation to support the decision-making of CCS projects aligned with the objective of net-zero emissions by 2050 (Abramson and Christensen, 2021; Chen and Pawar, 2023; Greig and Pascale, 2021), further efforts are required to optimize the transport infrastructure for national-scale CCS deployment. Therefore, in this study, we examine three nationwide scenarios with the SimCCS 3.0 tool (Ma et al., 2022, 2023, 2024) along with a novel geospatial splitting approach developed by Velasco-Lozano et al. (Velasco- Lozano et al., 2024a, 2024b). We present optimized pipeline networks that meet the dynamic evolution of annual capture amounts, describing the required total pipeline lengths at each stage as a function of the pipeline diameters. Thus, the cases presented demonstrate the feasibility of CO 2 pipeline infrastructure for large-scale CCS projects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Net-Zero Ethylene: On the Sustainability, Economics, and Scalability of Synthetic and Fossil Production Pathways

The ethylene industry has contributed over 260 million tons of CO 2 annually, warranting a more sustainable approach. The conversion of CO 2 and H 2 O into ethylene is an appealing technology capable of decoupling chemical production from fossil fuels. However, the large energy demand from this process can potentially lead to adverse environmental impacts. Here, in this article, we critically analyze the economic viability, environmental impact, and scalability of the conversion of CO 2 to ethylene via electrochemical reduction (CO 2 R) and compare this with those of CO 2 -neutral fossil routes utilizing carbon capture and direct air capture. Ethylene derived from CO 2 may be economically competitive under optimistic conditions; however, its large energy requirements pose environmental and scalability challenges. Meeting forecast 2050 ethylene demand using CO 2 R would require half of all electricity produced globally today, and, if powered by solar PV, may have greater CO 2 emissions than current petrochemical ethylene production, negating the purpose of this technology. Using Carbon Capture and Storage and Direct Air Capture to decarbonize petrochemical pathways would require roughly an order of magnitude less energy but would have disproportionate health and climate impacts. Lastly, the analysis highlights the importance of low-carbon energy sources to ensure sustainable CO 2 R ethylene production.

CO2R↗
DOE OSTI2020

Geophysical monitoring using active seismic techniques at the Citronelle Alabama CO 2 storage demonstration site

Between August 2012 and September 2014, about 114,000 metric tonnes of CO 2 was captured from the coal-fired Plant Barry Power Station at Bucks Alabama and injected into the Paluxy Formation above the oil pool in the southeast unit of the Citronelle Oilfield. Various monitoring methods were deployed at land surface and in project wells to measure system performance, comply with permit requirements and test new and innovative monitoring tools. The monitoring program relied heavily on active seismic methods for subsurface imaging of geologic structure and time-lapse seismic techniques to track the CO 2 migration in the injection interval. Both conventional geophone/hydrophone and fiber-optic based Distributed Acoustic Sensing (DAS) arrays were deployed and tested, allowing a side by side comparison of the equipment and techniques. Geophysical imaging of the subsurface was successful using DAS in the offset vertical seismic profile (OVSP) survey configuration. A high resolution OVSP image of the subsurface was obtained in 2014 with DAS, which exceeded project expectations in comparison to a lower resolution image obtained in 2012 using a conventional 80-level geophone array. A time-lapse image of the redistribution of CO 2 after injection ended in September 2014 was obtained with two DAS OVSP surveys from June 2014 and December 2015, thus successfully demonstrating its proof-of-concept. Unfortunately, a pre-injection baseline survey with DAS, which was in its initial stage of technology development in 2012, did not have sufficient quality for use, making it difficult to interpret the acquired DAS time-lapse difference. Additional research in this area has since demonstrated the utility of time-lapse DAS OVSP. DAS data were also acquired during a cross-well seismic survey conducted in 2014. Unfortunately, the DAS technique was not success in the cross-well survey configuration because the system noise level was too high in the crosswell frequency output range (100–1200 Hz) of the piezoelectric source (increasing by a factor of ten compared to VSP frequency band). Additionally, the cross-well geometry causes sub-horizontal (broadside) incidence on the vertical DAS fiber cable, which is known to be problematic. Current research is focused on improving the DAS cable response to broadside acoustic energy. Time-lapse seismic surveys using commercially available conventional arrays were also acquired. In contrast to the DAS acquired data, the cross-well seismic results obtained with the conventional array was highly successful and clearly showed the CO 2 remained in zone at the end of injection. Time-lapse differencing of the OSVP surveys acquired with the conventional arrays proved to be inconclusive. Finally, changes in wellbore conditions between surveys and unavoidable changes in equipment (the array used for the baseline survey was retired) affected data quality, making it difficult to interpret the OVSP results.

58 GEOSCIENCES↗
DOE OSTI2024

Fluidized-Bed Gasification of Coal-Biomass-Plastics for Hydrogen Production

Coal is one of the most abundant fossil energy resources in the United States and in the world. The recoverable reserves in the United States are estimated to be about 252 billion tons – more than 350 years of supply at current rates of usage. However, the share of coal in total primary energy consumption in the US has been declining over the years. The decline of coal is mainly attributed to cheap natural gas and precipitous declines in the cost of electricity production from renewable technologies such as wind and solar. Coal can potentially be used if it is coupled with carbon-neutral feedstock such as biomass-agricultural residues, forest biomass, and forest residues. Co-gasification of coal and biomass can become a negative carbon emission technology if the carbon dioxide (CO 2 ) is captured and sequestered. Although the biomass gasification process has a lot of similarities to coal gasification, the large-scale adaptation of power production sourced from biomass has not come to fruition. The main reason is that the power production from biomass is still expensive when compared with natural gas or coal power technologies. To address the feedstock cost, one approach is to use low-cost feedstocks, such as municipal solid wastes (MSW) or plastics, for gasification. Gasification involves the partial oxidation of coal and/or biomass feedstocks to produce a combustible fuel called synthesis gas (syngas) which is composed of carbon monoxide (CO), hydrogen (H 2 ), CO 2 , methane (CH 4 ), nitrogen (N 2 ), water (H 2 O), and other compounds that might be considered as contaminants. Raw syngas from gasification must go through multiple steps to produce high-purity hydrogen. The specific steps depend upon the quality (gas composition, contaminants, and their concentration) and condition (pressure and temperature) of syngas. The long-term goal of the project was to utilize coal and plastics together with biomass to produce energy and fuels using a gasification platform while reducing greenhouse gas emissions. The main objective of this research was to examine gasification performance in a laboratory-scale fluidized-bed gasifier for hydrogen production. The specific objectives of the research were to: (i) study coal-plastic-biomass mixture flowability for consistent feeding in the gasifier; (ii) understand the gasification behavior of the mixture in steam and oxygen environments; (iii) perform thermal property characterization of ash and slag from the mixture feedstock and refractory-ash interface of the mixture under gasification conditions; and (iv) develop process models to determine the technology needed for syngas cleanup and contaminants. The study found that there was no apparent segregation when biomass, coal, and waste plastics were mixed together during feeding. Although there were differences in hydrogen production when individual feedstock were fed, the hydrogen concentration remained almost constant with various blends. Therefore, blending waste plastics with biomass and coal, which are all abundant, is a better approach for energy production. Results of the techno-economic analysis suggested that integration of advanced gasification (GTI’s R-GAS™) and syngas cleanup and conditioning technologies (RTI’s WDP and AFWGS) for clean hydrogen production resulted in substantial benefits, including significant capital cost and operating cost reductions. Advanced technologies resulted in 16% reduction in the hydrogen production cost (COH) from 2.94 $\$$/kg to 2.47 $\$$/g, with further scope for optimization and cost reduction. These advanced technologies also result in lower emissions, and improved energy efficiency.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Scaleup and Site-Specific Engineering Design for Global Thermostat Direct Air Capture Technology

The overall goal of the project is completion of an initial design of a commercial-scale, Carbon Capture, Utilization, and Storage Direct Air Capture (CCUS-DAC) plant design at three different sites that captures a net of at least 100,000 tonnes per year (TPY) carbon dioxide (CO 2 ) from the atmosphere and considers compression and conditioning of the captured CO 2 for purpose of pipeline transportation to different geological formation sites for deep well injection and underground storage. In addition to the leading system consisting of a scaled-up Global Thermostat DAC unit, overall plant design includes a combined Heat and Power (CHP) unit integrated with a conventional liquid amine-based carbon capture system (90% capture) and compression facilities. These are considered balance of plant (BOP) systems and are required to provide low carbon-intensity steam and power to the DAC process. A second approach involving provision of DAC units modified to directly capture emissions from the CHP unit was initially assessed as an alternative and it was determined to be less mature than considered approach and not included in the scaled-up plant design efforts. Three geographically diverse continental United States locations were selected to better understand the effect of local/regional ambient conditions on scaled-up DAC system performance and project costs: Bucks, Alabama (hot wet climate), Odessa, Texas (dry hot climate), and Goose Creek, Illinois (mid continental climate). The team focused on initial engineering design activities, including the development of project design criteria, initiation of site-specific studies and investigations, completion of DAC system process and equipment design, and definition of balance of plant (BOP) engineering. The purpose of the activities were to develop Technoeconomic Analysis (TEA), Life-Cycle Analysis (LCA), and Environmental, Health, and Safety (EH&S) analysis, and Business Case Analysis (BCA) to validate that the project engineering and scale-up plans of the DAC systems, at each of the three distinct case studies considered, are technically, economically, and environmentally feasible for commercial-scale operation.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

The Role of Alkalis in Orchestrating Uranyl-Peroxide Reactivity Leading to Direct Air Capture of Carbon Dioxide

Spectator ions have known and emerging roles in aqueous metal-cation chemistry, respectively directing solubility, speciation, and reactivity. Here, in this work, we isolate and structurally characterize the last two metastable members of the alkali uranyl triperoxide series, the Rb + and Cs + salts (Cs-U 1 and Rb-U 1 ). We document their rapid solution polymerization via small-angle X-ray scattering, which is compared to the more stable Li + , Na + and K + analogues. To understand the role of the alkalis, we also quantify alkali-hydroxide promoted peroxide deprotonation and decomposition, which generally exhibits increasing reactivity with increasing alkali size. Cs-U 1 , the most unstable of the uranyl triperoxide monomers, undergoes ambient direct air capture of CO 2 in the solid-state, converting to Cs 4 [U VI O 2 (CO 3 ) 3 ], evidenced by single-crystal X-ray diffraction, transmission electron microscopy, and Raman spectroscopy. We have attempted to benchmark the evolution of Cs-U 1 to uranyl tricarbonate, which involves a transient, unstable hygroscopic solid that contains predominantly pentavalent uranium, quantified by X-ray photoelectron spectroscopy. Powder X-ray diffraction suggests this intermediate state contains a hydrous derivative of CsU V O 3 , where the parent phase has been computationally predicted, but not yet synthesized.

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

Inexpensive and Sustainable Anti-Corrosion Coating for Power Generation Applications

The goal of the project was to achieve lab-scale demonstration of a corrosion prevention technology, which will facilitate the capture of CO 2 from coal and natural gas fired power generation by reducing the cost of construction materials and maintenance. The project built on technology previously developed by LumiShield to address more broad-based corrosion issues and the results shown will be applicable to a wide range of markets requiring cost effective corrosion resistant coatings. That technology developed is a base layer to improve the performance and reduce the cost of organic anti-corrosion coatings. The impact of those changes on overall plant economics were demonstrated with the help of engineers at AECOM through an initial cost-benefit-analysis at the end of BP1 which will be updated at the end of BP2.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Solution and Active Site Speciation Drive Selectivity for Electrocatalytic Reactive Carbon Capture in Diethanolamine over Ni–N–C Catalysts

Direct conversion of captured forms of carbon, or reactive carbon capture (RCC), presents an opportunity to reduce the energy intensity and cost of direct CO 2 utilization from dilute sources. While amine-based sorbents effectively capture CO 2 , their use for RCC presents numerous challenges with typical pure metal catalysts used for electrochemical CO 2 reduction (CO 2 R). Here, using both theory and experiments, we find that Ni–N–C single atom catalysts are effective for RCC conversion to CO using a diethanolamine sorbent, in contrast to pure metal catalysts. Computational analysis reveals that RCC can proceed directly through direct reduction of the sorbent-CO 2 adduct or indirectly by C–N bond breaking facilitating CO 2 adsorption and subsequent reduction. We find that the latter mechanism is most prevalent at low overpotentials where we experimentally observe RCC selectivity. We also find experimentally that the rate of CO production for RCC with Ni–N–C catalysts can exceed pure bicarbonate solutions at intermediate sorbent concentration (0.1–0.5 M DEA) under dilute (10–25%) streams of CO 2 at low overpotentials. The coordination environment of Ni sites and the solution speciation influence their RCC activity, with changes in protonation to coordinating N/C atoms resulting in changing the RCC mechanism and consequent activity. In situ X-ray absorption spectroscopy and computational analysis reveal restructuring under RCC conditions due to hydrogen coadsorption with DEA that limits the stability of Ni–N–C catalysts. This work highlights the importance of carefully controlling the catalyst and solution environment to achieve active and stable RCC electrocatalysis.

Chemistry↗
DOE OSTI2022

Catalytic Processes to Accelerate Decarbonization in a Net-Zero Carbon World

Reducing carbon dioxide emissions is one of the critical challenges to mitigate global climate change, which is having detrimental impacts on society and the environment. Fossil fuel combustion in transportation, power generation, and industrial processes is the dominant contributor to carbon emissions. Over the past decades, sustainable solutions and strategies have been investigated and developed to enable decarbonization. Catalysis plays an essential role to address this global challenge by increasing energy efficiency, reducing carbon emissions, capturing carbon dioxide, and utilizing clean energy sources to displace fossil fuels. In this Review, the role of catalysis in reducing energy demand was discussed, enhancing process efficiency, displacing carbon-intensive feedstocks and products, and therefore, reducing carbon emissions. Here, recent advances in catalyst development were summarized, focusing on applications to enhance industrial processes efficiency and enable utilization of clean energy sources. Emerging approaches in catalysis were reviewed, including the manufacture of iron and steel, direct air capture of CO 2 , production of ethylene, ammonia, and sustainable aviation fuels, plastic recycling, and the synthesis of biobased plastics. The Review was concluded with suggested research directions to achieve a carbon net-zero world.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Probing the Kinetic Origin of Varying Oxidative Stability of Ethyl- vs. Propyl-spaced Amines for Direct Air Capture

Amine-based adsorbents are promising for direct air capture of CO 2 , yet oxidative degradation remains a key unmitigated risk hindering wide-scale deployment. Borrowing wisdom from the basic auto-oxidation scheme, insights are gained into the underlying degradation mechanisms of polyamines by quantum chemical, advanced sampling simulations, adsorbent synthesis, and accelerated degradation experiments. The reaction kinetics of polyamines are contrasted with that of typical aliphatic polymers and they elucidate for the first time the critical role of aminoalkyl hydroperoxide decomposition in the oxidative degradation of amino-oligomers. The experimentally observed variation in oxidative stability of polyamines with different backbone structures is explained by the relationship between the local chemical structure and the free energy barrier of aminoalkyl hydroperoxide decomposition, suggesting that its energetics can be used as a descriptor to screen and design new polyamines with improved stability. In conclusion, the developed computational capability sheds light on radical-induced degradation chemistry of other organic functional materials.

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

Bioelectrocatalytic conversion of CO₂ to PHA bioplastics using engineered methylotrophs

The sustainable generation of biodegradable plastics represents an opportunity to capture atmospheric CO 2 while reducing plastic waste accumulation in the environment. This study implements an integrated platform for bioelectrocatalytic CO 2 conversion to medium-chain-length polyhydroxyalkanoates (mcl-PHAs). Immobilizing cobalt phthalocyanine electrocatalysts on a covalent-organic framework in a gas recirculation electrolyzer enabled CO 2 -to-methanol conversion with a carbon conversion efficiency of 98%. Integration of polymer biosynthesis pathways enabled Methylotuvimicrobium alcaliphilum 20Z R to produce ~20% mcl-PHA of the dry cell weight with a CO 2 -to-bioproducts carbon conversion efficiency of 50%. This cell line was adapted to high sodium bicarbonate media, eliminating costly intermediate separation steps while improving economic potential. Transcriptomic analysis revealed sulfate transporters and peptidoglycan biosynthesis as key pathways involved in sodium bicarbonate halotolerance. Altogether, this research presents a foundation for integrating divergent chemical and biological processes into a transformative electrobiomanufacturing platform, addressing the need for alternative pipelines for generating valuable plastics and chemicals.

CO2 utilization↗
DOE OSTI2024

Influence of Dissolved Iron in Solution on MgO Hydroxylation and Carbonation

MgO (periclase) is a promising material for direct air capture of CO 2 using a mineral looping process, but it is unknown how impurities in the environment will affect the CO 2 uptake and hence process economics. Here, we investigated the effects of dissolved iron on the extents of MgO hydroxylation and subsequent carbonation reactions to determine if this has a beneficial or detrimental effect. On single-crystal MgO, dissolved iron prevented hydration of MgO to Mg(OH) 2 (brucite) and instead formed a shell of lepidocrocite (γ-FeOOH). This did not passivate the MgO as dissolution below the shell was observed. During hydroxylation of MgO powders in the presence of dissolved iron, formation of brucite containing Fe(II) was observed. In addition, formation of nanoscale iron oxides containing Fe(III) was observed using magnetometry and Mössbauer spectroscopy. Subsequent carbonation experiments showed increased carbonation of MgO hydroxylated in the presence of iron. Our results indicate that the presence of dissolved solute impurities during hydroxylation may be beneficial for carbonation of hydroxylated MgO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Assessment of Long-Term Degradation of Adsorbents for Direct Air Capture by Ozonolysis

Porous adsorbents are a promising class of materials for the direct air capture of CO 2 (DAC). Practical implementation of adsorption-based DAC requires adsorbents that can be used for thousands of adsorption–desorption cycles without significant degradation. We examined the potential degradation of adsorbents by a mechanism that appears to have not been considered previously, namely, ozonolysis by trace levels of ozone from ambient air. We focused on amine-appended metal–organic frameworks, specifically amine-functionalized Mg 2 (dobpdc), as a representative DAC adsorbent. Estimates based on the number of amine sites in these adsorbents and the ozone concentration in air suggest that degradation by ozone may be relevant over thousands of adsorption–desorption cycles if reactions with adsorbed ozone are fast. We used density functional theory calculations to estimate reaction rates for amine groups and carbon–carbon double bonds in amine-functionalized Mg 2 (dobpdc).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗