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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

From Subsurface to System: Offshore CCS Development for the Northeastern U.S. Atlantic Shelf

This study evaluated offshore carbon sequestration potential and infrastructure design along the mid-north Atlantic outer continental shelf, addressing the limited onshore storage options in the northeastern U.S. The objective was to define viable CCS pathways by integrating geological characterization, reservoir modeling, and system-level engineering for decarbonizing regional industrial sources. The work was conducted under US DOE grant FE0032407 for the Regional Initiatives and builds on a previous prospective resources assessment project by Battelle.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Biogenic Straw Aerogel Thermal Insulation Materials

Biogenic wheat straw is a carbon-storing building insulation material. However, the enzymatic hydrolysis ratio of its cellulose is relatively low due to the presence of hemicellulose and lignin hindering its thermal insulation performance. In this work, we report aerogel and straw composites with thermal conductivity of 35 mW m –1 K –1 , while high cellulose fiber conversion in straw is obtained by using a hybrid mechanical and chemical process. Furthermore, we show that the in-situ cellulose-reinforced silica aerogel nanocomposites exhibit an optimal thermal conductivity of 32 mW m –1 K –1 by using 50 wt% of aerogel. Moreover, the hydrophobic aerogel-cellulose composites show a low density, high porosity (90 %), high compression modulus (1.9 MPa), superhydrophobicity, and superior reusability. This work provides a cost-effective and facile method to manufacture biogenic composites from agriculture waste materials, promising for carbon-sequestration building insulation applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Superhydrophobic Phosphonium Modified Robust 3D Covalent Organic Framework for Preferential Trapping of Charge Dispersed Oxoanionic Pollutants

Abstract Charge dispersed and less hydrophilic anionic pollutants are often difficult to be preferentially captured by common cationic framework materials. A gamma radiation modification approach is employed to anchor a superhydrophobic phosphonium‐containing coating on a robust crystalline 3D covalent organic framework (COF). By regulating the surface hydrophobicity, the prepared 3DCOF‐ g ‐VBPPh 3 Cl is endowed with a strong affinity for charge dispersed and less hydrophilic oxoanions, such as MnO 4 − , TcO 4 − and ReO 4 − , to surmount the Hofmeister bias, which much favors remediation of oxoanionic pollutants in complex aqueous systems. Batch and column experiments with 3DCOF‐g‐VBPPh 3 Cl in both tap water and simulated groundwater are performed, and rapid sequestration is achieved with removal efficacy up to 99.995%, record‐high distribution coefficient of 1.0 × 10 8 mL g −1 , and desirable priority over competing anions such as Cl − , SO 4 2− , HCO 3 − , and NO 3 − , confirming promise for remediation of charge dispersed anionic pollutants. Theoretical calculations reveal a mechanism of preferential capture based on electrostatic and dispersion interaction between charge dispersed anions and 3DCOF‐g‐VBPPh 3 Cl that effectively competes with solvation of the aqueous anions.

Wang, Yue↗
DOE OSTI2020

Alley cropping affects perennial bioenergy crop root distribution, carbon, and nutrient stocks

This study quantified root biomass distribution; root accrual of C, N, P, and K; and changes in soil organic carbon (SOC) associated with alley-cropped switchgrass (Panicum virgatum L.), prairie cordgrass (Spartina pectinata Bosc ex Link), intermediate wheatgrass [Thinopyrum intermedium (Host) Barkworth and Dewey ‘Rush’], and a native polyculture planted between rows of ‘NM6’ poplar (Populus maximowiczii × P. nigra) and ‘Fish Creek’ willow (Salix purpurea) at two Minnesota sites (Empire and Granada). After 4 yr since establishment, SOC declined at each site but was not influenced by species selection. NM6 poplar–prairie cordgrass systems had among the highest root biomass, C, and nutrient accrual, with up to 16.3 Mg root biomass, 7.0 Mg C, 175 kg N, 31 kg P, and 97 kg K ha -1 . Fine roots were the largest fraction of belowground biomass, although course roots were also a large fraction for poplar and prairie cordgrass. Tree roots extended to 6 m into the crop alley, although 85–89% were within 1 m of tree rows, depending on tree species. Crop fine root biomass was reduced up to 67% at 1 m from tree rows and 20% at 3.5 m and was up to 142% greater in willow than in poplar alleys. Total root C was predominated by poplars at Empire regardless of herbaceous crop type, whereas the proportions of tree and crop root C varied by crop at Granada. These results suggest that prairie cordgrass is well suited to alley cropping and that, due to the competitive ability of poplars, productivity, C sequestration, and nutrient accrual may be greater in willow systems in the long term.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Science–based maize stover removal can be sustainable

Maize (Zea mays L.) stover can be harvested for multiple uses or left in the field to sustain soil organic carbon (SOC), cycle essential plant nutrients, and protect soil health. This 13-yr field study quantified effects of no (0 Mg ha –1 yr –1 ), low (1.0–1.4 Mg ha –1 yr –1 ), moderate (3.5–4.0 Mg ha –1 yr –1 ), or high rates (4.7–5.4 Mg ha –1 yr –1 ) of stover harvest from either continuous maize or maize–soybean [Glycine max (L.) Merr.] rotation on grain yield, plant nutrient concentrations, and multiple soil properties at two sites in Iowa. Stover harvest increased plant macro- and micro-nutrient removal, but did not affect average grain yields of either crops. Soil inorganic carbon (IC), SOC, bulk density, pH, and cation exchange capacity (CEC) showed no significant differences due to stover harvest. Plant tissue and soil-test nutrient concentration effects were also minor and site-specific. Stover harvest significantly (p < .05) decreased exchangeable K and Ca concentrations by 8.3–23.8% and 0.3–22.5% but overall soil health indicator effects were minimal. Overall, based on crop yields, plant nutrient and soil-test concentrations, soil health indicators, and carbon sequestration estimates, maize stover harvest can be sustainable provided: (a) grain yields consistently exceed 11 Mg ha –1 , (b) stover removal does not exceed 40% of the aboveground biomass (i.e., 3.5–4.0 Mg ha –1 yr –1 ), and (c) plant nutrients (especially K) are closely monitored.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Directional Bonding in Decaniobate Inorganic Frameworks

Abstract Metal–oxo clusters offer an opportunity to assemble inorganic and metal–organic frameworks (MOFs) by a controlled building‐block approach, which led to the revolutionary discoveries of zeolites and MOFs. Polyoxometalate clusters are soluble in water, but more challenging to link into frameworks; the inert oxo‐caps that provide solubility are resistant to replacement or further connectivity. We demonstrate how the unique directional bonding and varying basicity of the decaniobate ([Nb 10 ]) oxo‐caps can be exploited to build 1D, 2D, and 3D inorganic frameworks. In nine structures, A + (A=Li, Na, K, Rb and Cs), AE 2+ (AE=Ca, Sr, Ba) and Mn 2+ demonstrate that the dimensionality of the obtained material is controlled by cation charge and size. Increased cation charge decreases selectivity for oxo‐site bonding, leading to higher dimensional linking. Larger cation radii also decreases bonding selectivity, yielding higher dimensional materials. Ion‐exchange studies of the A + ‐Nb 10 family shows exclusive selectivity for Cs + over other alkalis, which is important for radioactive Cs removal and sequestration.

Martin, Nicolas P.↗
DOE OSTI2022

Carbon Dioxide Capture at Nucleophilic Hydroxide Sites in Oxidation‐Resistant Cyclodextrin‐Based Metal–Organic Frameworks**

Abstract Carbon capture and sequestration (CCS) from industrial point sources and direct air capture are necessary to combat global climate change. A particular challenge faced by amine‐based sorbents—the current leading technology—is poor stability towards O 2 . Here, we demonstrate that CO 2 chemisorption in γ‐cylodextrin‐based metal–organic frameworks (CD‐MOFs) occurs via HCO 3 − formation at nucleophilic OH − sites within the framework pores, rather than via previously proposed pathways. The new framework KHCO 3 CD‐MOF possesses rapid and high‐capacity CO 2 uptake, good thermal, oxidative, and cycling stabilities, and selective CO 2 capture under mixed gas conditions. Because of its low cost and performance under realistic conditions, KHCO 3 CD‐MOF is a promising new platform for CCS. More broadly, our work demonstrates that the encapsulation of reactive OH − sites within a porous framework represents a potentially general strategy for the design of oxidation‐resistant adsorbents for CO 2 capture.

Zick, Mary E.↗
DOE OSTI2022

Carbon Dioxide Capture at Nucleophilic Hydroxide Sites in Oxidation–Resistant Cyclodextrin–Based Metal–Organic Frameworks

Carbon capture and sequestration (CCS) from industrial point sources and direct air capture are necessary to combat global climate change. A particular challenge faced by amine-based sorbents—the current leading technology—is poor stability towards O 2 . Here, we demonstrate that CO 2 chemisorption in γ-cylodextrin-based metal-organic frameworks (CD-MOFs) occurs via HCO 3 – formation at nucleophilic OH – sites within the framework pores, rather than via previously proposed pathways. Here, the new framework KHCO 3 CD-MOF possesses rapid and high-capacity CO 2 uptake, good thermal, oxidative, and cycling stabilities, and selective CO 2 capture under mixed gas conditions. Because of its low cost and performance under realistic conditions, KHCO 3 CD-MOF is a promising new platform for CCS. More broadly, our work demonstrates that the encapsulation of reactive OH – sites within a porous framework represents a potentially general strategy for the design of oxidation-resistant adsorbents for CO 2 capture.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Flame retardant biogenic building insulation materials from hemp fiber

Biogenic thermal insulation materials are in high demand because of its carbon-sequestration nature. However, high flammability, moisture condensation, and relatively high thermal conductivity of biogenic material are major concerns for sustainable building applications. In this study, we report the fire-retardant cellulose xerogel insulation nanocomposites derived from hemp fiber recycling and silica xerogel, in which the boric acid treatment improves its fire retardancy. The as-prepared materials show a low thermal conductivity of 31.3 mW/m K, high flexural modulus of 665 MPa, hydrophobicity with the water contact angle of 115°, and fire retardancy with 30% weight loss over a period of burning time 10 min. Overall, this work provides an effective method for the synthesis of fire-retardant biogenic thermal insulation materials and shows a promising way for next-generation bio-based insulation materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Supply chain system for a centralized biorefinery system based on switchgrass grown on marginal land in Michigan

The feedstock supply chain of a biorefinery is critical in determining the economic and environmental performance of biofuels. This study investigated various feedstock supply chains for a centralized biorefinery based on different objective functions and how the biorefinery responds to supply chain volatility. For the analysis, a hypothetical centralized biorefinery was supplied by switchgrass grown on marginal lands in Michigan. From an economic standpoint, the minimum biofuel selling price is an important metric of the objective function, and the greenhouse gas mitigation potential is a similarly important metric for global warming impact. A trade-off therefore exists between the economic and environmental performance of biofuels under this system configuration. However, when a carbon tax credit is applied to soil organic carbon sequestration in switchgrass production, the metric of the objective function may not be the key factor in establishing a supply chain as long as it is associated with biorefinery capacity as well as economic or environmental values. Year-to-year fluctuations in cellulosic biomass yield (supply chain volatility) might also prevent the biorefinery from operating at full capacity. Cellulosic biomass pellets can serve as an auxiliary feedstock for the centralized cellulosic biorefinery system to minimize the impacts of supply chain volatility.

09 BIOMASS FUELS↗
DOE OSTI2025

Carbon‐negative hydrogen from ethanol via catalytic oxidative reforming

Abstract This study evaluated a commercial technology for producing low‐ or negative‐carbon hydrogen through ethanol catalytic oxidative reforming, focusing on the life cycle greenhouse gas emissions, or carbon intensity (CI). Various scenarios were analyzed: (a) comparing corn ethanol (first‐generation or Gen1 ethanol) and cellulosic ethanol (second‐generation or Gen2 ethanol) as feedstocks; (b) assessing carbon capture and sequestration (CCS) for CO 2 from upstream fermentation; and (c) evaluating oxygen sourcing via air separation units vs. on‐site or off‐site water electrolysis using a proton exchange membrane. Findings indicate that the CI for hydrogen production using Gen2 ethanol from corn stover is lower than that of Gen1 corn ethanol. Additionally, using proton exchange membrane‐generated oxygen results in a lower CI than air separation unit‐generated oxygen, regardless of the sourcing method. Implementing CCS for the hydrogen production plant's evolved CO 2 is essential for achieving a net‐negative CI for hydrogen from Gen1 ethanol. All examined scenarios, including both ethanol generations, oxygen sources, and CCS applications, demonstrated a net‐negative carbon intensity, surpassing the life cycle greenhouse gas emissions threshold of 0.45 kg CO 2 e/kg to enable policy credits as outlined in the Inflation Reduction Act §45V. In comparison, the CI for hydrogen from steam methane reforming stands at 3.4 kg CO 2 e/kg with CCS and 9.4 kg CO 2 e/kg without CCS.

08 HYDROGEN↗
DOE OSTI2025

Mobilizing mine lands for biobased decarbonization strategies

Over 163 000 ha of mine lands in Pennsylvania (PA) have the potential to produce willow as a feedstock for renewable energy generation. Each year these lands could produce between 454 000 and 907 000 dry Mg of willow, which can be a feedstock for bioenergy (i.e., biopower) with carbon capture and sequestration (BECCS) or sustainable aviation fuel (SAF) production. We used a spatially explicit model to explore cost-minimized allocation of willow biomass from abandoned mine lands (AML) to be used for BECCS or SAF production and to abate carbon dioxide. The results suggest that between 454 000 and 907 000 dry Mg of biomass can be produced on AML in PA at costs from $94 to $250 per dry Mg. This AML willow biomass could be combined with other available biomass and aggregated to ten facilities to produce 17.9 TWh of power; alternatively, it could produce 958 million liters of jet fuel, 638 million liters of renewable diesel, and 1.289 billion liters of naphtha, along with 0.735 TWh of electricity. From this analysis, in PA, under the BECCS pathway, up to 36 million Mg per year of CO2 could be abated at costs of up to $134 per Mg; under the SAF pathway, up to 17.5 million Mg per year of CO2 could be abated at costs up to $150 per Mg of CO2. The use of mine land willow as a supplemental feedstock for SAF and BECCS would need strong incentive programs if costs of production are to be comparable with production on agricultural land.

Wahlstrom, Mallory [Pennsylvania State University]↗
DOE OSTI2020

Expansion of the Na 3 M III (Ln/An) 6 F 30 Series: Incorporation of Plutonium into a Highly Robust and Stable Framework

Abstract Na n MAn 6 F 30 is an extremely versatile framework structure for incorporating tetravalent actinides (An) and cerium along with divalent or trivalent d‐metals (M); moreover, the structure exhibits a high resistance to harsh chemical conditions. This extreme robustness can potentially be exploited for the sequestration of plutonium in a stable matrix; however, no Na n MPu 6 F 30 compounds have been reported so far. Herein, we present four new plutonium fluorides that have been prepared as single crystals by mild hydrothermal synthesis methods. Structural characterizations revealed their compositions to be Na 3 AlPu 6 F 30 , Na 3 FePu 6 F 30 , Na 3 CoPu 6 F 30 , and Na 2.4 Mn 1.6 Pu 6 F 30 . Surprisingly, in the plutonium series, it was found that Co 2+ and Mn 2+ precursors oxidized to form Na 3 Co III Pu 6 F 30 and Na 2.4 Mn II/III 1.6 Pu 6 F 30 , whereas the analogous reactions for cerium result in reduction of the transition metal, even when beginning with a M 3+ precursor. While cerium is often used as a surrogate for plutonium, this work serves as an example that deviations between their chemistries do occur.

Pace, Kristen A.↗
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 OSTI2025

Integrated Ammonia Capture and Exchange on Ion‐Exchanged 4A Zeolites

Ammonia poses a challenge in effluent gas streams due to its corrosive nature. However, in fusion settings tritiated ammonia can be formed, leading to both tritium loss in inventory and the generation of reactive species. Therefore, identifying pathways in which both tritium can be recovered, and the ammonia can be easily handled would be beneficial. One such way to do so would be to combine two useful techniques: ammonia sequestration and hydrogen exchange (ND 3 →NH 3 ). However, materials that can both adsorb ammonia and subsequently perform reactions on ammonia have not been well explored. Here, in this work, we present the development of ion-exchanged A-type zeolites to be utilized as a support material for platinum catalysts. In this way, the zeolite can adsorb ammonia and the platinum catalyst can facilitate hydrogen exchange allowing for bifunctional reactivity of the material to be achieved. A variety of elements were explored for their effect on A-type zeolites and resulted in an isotopic difference in the adsorption of ND 3 and NH 3 , noting the use of deuterium as a surrogate for tritium. Several platinum-impregnated zeolites were able to remove ND 3 from the gas stream, indicating that utilizing these materials in isotope recovery processes would improve accountability of these valuable hydrogen isotopes.

Koch, Christopher J. [Savannah River National Labo↗
DOE OSTI2022

Carbon Capture Beyond Amines: CO 2 Sorption at Nucleophilic Oxygen Sites in Materials

Carbon capture and utilization or sequestration and direct air capture will be needed to reduce atmospheric levels of greenhouse gases over the next century. Current amine-based technologies bind CO 2 with high selectivities but suffer from poor oxidative and thermal stabilities. Herein, we discuss understudied sorbents based on oxygen nucleophiles, including metal oxides and hydroxides, hydroxide-containing polymers, and hydroxide-based metal–organic frameworks. In general, these materials display improved oxidative stabilities compared to traditional amine-based sorbents. Here, we outline the challenges and opportunities offered by these alternative sorbents for carbon capture applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

In Silico Screening of CO 2 –Dipeptide Interactions for Bioinspired Carbon Capture

Carbon capture, sequestration and utilization offers a viable solution for reducing the total amount of atmospheric CO 2 concentrations. On an industrial scale, amine-based solvents are extensively employed for CO 2 capture through chemisorption. Nevertheless, this method is marked by the high cost associated with solvent regeneration, high vapor pressure, and the corrosive and toxic attributes of by-products, such as nitrosamines. An alternative approach is the biomimicry of sustainable materials that have strong affinity and selectivity for CO 2 . Bioinspired approaches, such as those based on naturally occurring amino acids, have been proposed for direct air capture methodologies. In this study, we present a database consisting of 960 dipeptide molecular structures, composed of the 20 naturally occurring amino acids. Furthermore, those structures were analyzed with a novel computational workflow presented in this work that considers certain interaction sites that determine CO 2 affinity. Density functional theory (DFT) and symmetry-adapted perturbation theory (SAPT) computations were performed for the calculation of CO 2 interaction energies, which allowed to limit our search space to 400 unique dipeptide structures. Using this computational workflow, we provide statistical insights into dipeptides and their affinity for CO 2 binding, as well as design principles that can further enhance CO 2 capture through cooperative binding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗