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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Method for attaching nanomaterials comprising hexagonal lattices to polymer surfaces

The invention is directed to a method for attaching nanomaterials containing hexagonal lattices to polymer surfaces. For example, carbon nanotubes (CNTs) can be attached to polycarbonate, polyethylene, or epoxy surfaces by amination of the polymer surface, functionalization of the surfaces of CNTs with ester groups, and reacting the aminated surface of the polymer with the ester groups of the functionalized surfaces of the CNTs in an organic solvent to chemically bind the CNTs to the polymer surface.

Redline, Erica Marie↗
DOE OSTI2023

Adsorption cooling system using metal organic frameworks

A highly adsorptive structure includes: a substrate; and a metal-organic framework (MOF) comprising a plurality of metal atoms coordinated to a plurality of organic spacer molecules; wherein the MOF is coupled to at least one surface of the substrate, wherein the MOF is configured to adsorb and desorb a refrigerant under predetermined thermodynamic conditions. The refrigerant includes one or more materials selected from the group consisting of: acid halides, alcohols, aldehydes, amines, chlorofluorocarbons, esters, ethers, fluorocarbons, perfluorocarbons, halocarbons, halogenated aldehydes, halogenated amines, halogenated hydrocarbons, halomethanes, hydrocarbons, hydrochlorofluorocarbons, hydrofluoroethers, hydrofluoroolefins, inorganic gases, ketones, nitrocarbon compounds, noble gases, organochlorine compounds, organofluorine compounds, organophosphorous compounds, organosilicon compounds, oxide gases, refrigerant blends and thiols.

Baumann, Theodore F.↗
DOE OSTI2023

Support-free adsorbents for CO 2 capture from air

A resin includes a functionalized aminopolymer having amine sites for capturing carbon dioxide molecules, where each aminopolymer molecule has at least one functional group amenable to crosslinking, a porogen, and a crosslinking initiator. A product includes an aminopolymer material formed into a self-supporting structure, the aminopolymer material including crosslinked aminopolymers having amine sites for the capture of carbon dioxide molecules.

Pang, Simon Hoching↗
DOE OSTI2023

Non-isocyanate polyurethane products and methods of making the same

The present disclosure relates to a method for making a non-isocyanate polyurethane (NIPU) foam, where the method includes decomposing a blowing agent having at least one of an amine carbamate salt and/or an amine bicarbonate salt to form a diamine and CO 2 in the presence of a molecule comprising a plurality of cyclic carbonate functional groups and reacting the diamine with at least a portion of the cyclic carbonate functional groups to form the NIPU foam. In some embodiments of the present disclosure, the reacting and the decomposing may occur at substantially the same rate.

Dong, Tao↗
DOE OSTI2024

Converting Poly(ethylene terephthalate) to Rigid Thermosets: Performance and Recycling Considerations

Poly(ethylene terephthalate) (PET) is one of today's most ubiquitous plastics finding predominant uses in textiles and food applications. Due to its prolific implementation, PET already possesses a robust mechanical recycling infrastructure; however, current requirements for mechanical recycling still leads to an underutilization of PET. Thus, to keep carbon in the economy and further encourage decarbonization efforts it is paramount to find other applications for PET. In the present work, PET is converted to thermoset applications, specifically those relevant to fiber reinforced plastics. In one case, bioderived monomers are utilized to convert glycolyzed PET into unsaturated polyesters resins which can possess better thermomechanical performance than their petrochemical counterpart while also emitting less GHG emissions in their manufacture. In the second case, the constituent monomers from PET are converted into epoxies and reacted with either amines or anhydrides to form thermoset networks. When anhydrides are implemented alongside carboxylate-based epoxies, 100% monomer recyclability is obtainable. Meanwhile, when amines are used, performance of the materials can be enhanced at the sacrifice of some recyclability. Overall, this work demonstrates the potential to further incentivize the reclamation of materials through multiple second life applications in pursuance of maintaining carbon in today's material economy.

BIOMASS FUELS,ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Calcined Polyethyleneimine Coated Optical Fibers for Distributed pH Monitoring at High Pressures and Temperatures

In the oil and gas, CO2 sequestration, H2 subsurface storage, and geothermal energy sectors, subsurface pH measurements are critical for monitoring the geochemical conditions and estimating potential corrosion rates of wellbore systems. Real-time pH measurements in these conditions are vital for detecting and predicting corrosion deterioration of wellbore components that may jeopardize the safety and continued operation of wellbore systems. Building off of earlier TiO2 based pH sensors and the known pH sensitivity of amine-based polymers, a coating based on the secondary amine polymer polyethyleneimine (PEI) was developed. The sensor coating was treated with a high temperature (500 °C) calcination procedure in air to convert it into a more stable oxidized coating capable of withstanding hot aqueous solutions without dissolving while retaining linear pH sensitivity from pH values between 2 and 11. The sensor performance was measured using optical transmission measurements in solutions of various pHs and using optical backscatter reflectometry for distributed pH sensing demonstration in wellbore-relevant pressures (up to 1000 psi) and temperatures (80 °C). A calibration curve with strong differentiation between acidic and alkaline pH was developed for both transmission-based and distributed pH measurements, using fixed wavelength transmission and integrated linear amplitude of backscattered light for distributed measurements.

Shumski, Alexander↗
DOE OSTI2024

Calcined Polyethyleneimine-Coated Optical Fibers for Distributed pH Monitoring at High Pressures and Temperatures

In the oil and gas, CO2 sequestration, H2 subsurface storage, and geothermal energy sectors, subsurface pH measurements are critical for monitoring the geochemical conditions and estimating potential corrosion rates of wellbore systems. Real-time pH measurements in these conditions are vital for detecting and predicting corrosion deterioration of wellbore components that may jeopardize the safety and continued operation of wellbore systems. Previous tests using metal oxide-based coatings (TiO2) provided strong responses at elevated temperatures and moderate pressure stability but provided poor differentiation between acidic and alkaline solutions. Building off the pH responsiveness of the TiO2 surface and known pH sensitivity of amine-based polymers, a coating based on the secondary amine polymer polyethyleneimine (PEI) was developed. As the polymer itself is highly water soluble and easily removed by aqueous solutions, the sensor coating was treated with a high temperature (500 °C) calcination procedure in air to convert it into a more stable oxidized coating capable of withstanding hot aqueous solutions without dissolving while retaining linear pH sensitivity from pH values between 2 and 11. The sensor performance was measured using optical transmission measurements in solutions of various pHs and using optical backscatter reflectometry for distributed pH sensing demonstration in wellbore-relevant pressures (up to 1,000 psi) and temperatures (80 °C).

Shumski, Alexander↗
DOE OSTI2025

Understanding the Role of Hydroxyl Functionalization in Linear Poly(Ethylenimine) for Oxidation‐Resistant Direct Air Capture of CO 2

Aminopolymer-based adsorbents are a prominent class of materials being used for direct air capture of CO 2 at the industrial scale. However, improving their working lifetime, specifically by increasing their resilience to oxidative degradation, remains an ongoing challenge. Toward this end, functionalization of aminopolymers with non-amine functionalities such as hydroxyls has emerged in recent years as a promising strategy toward improving adsorbent lifetime. Although there is a growing body of work demonstrating the effectiveness of this approach and investigating the origin of this improved stability, studies to date have primarily focused on branched aminopolymer systems such as branched poly(ethylenimine). In this work, hydroxyl-functionalized linear poly(ethylenimine) is used to continue to probe the underlying protective mechanism of this strategy. A combination of thermogravimetric analysis, NMR relaxometry, differential scanning calorimetry, and computational simulations is used to better understand the relationship between the extent of chemical functionalization, physical properties, and adsorbent performance.

amine-based adsorbent↗
DOE OSTI2025

Selection of solvents for integrated CO 2 absorption and electrochemical reduction systems

Abstract Solvent‐based electrochemical CO 2 reduction (CO 2 R) enables the production of chemicals or fuels using CO 2 from a preceding absorption process. Employing previously tested CO 2 capture solvents does not ensure their suitability for either CO 2 R or integrated CO 2 absorption‐reduction. We propose solvent selection criteria that include the CO 2 solubility, kinetic constant, ionic conductivity, concentration of the bicarbonate, carbamate, and solvent cation in the CO 2 ‐loaded solution, and sustainability indicators. They are implemented for solvent selection (a) from novel, aqueous mixtures of N ‐methylcyclohexylamine (MCA) with piperazine (PZ), 2‐amino‐2‐methyl‐1‐propanol (AMP), potassium hydroxide (KOH), and potassium chloride (KCl) and (b) from aqueous monoethanolamine (MEA), AMP, KOH, MCA, and PZ solutions. Versions of a modified Kent‐Eisenberg model for strong bases, carbamate, and non‐carbamate‐forming amine solutions are developed and parameterized through experimental equilibrium measurements. CO 2 R experimental results are presented for solutions of KOH and MCA + KOH, as these indicate desired trade‐offs for CO 2 absorption and reduction.

Amines↗
DOE OSTI2021

Amphilic Water-Lean Carbon Capture Solvent Wetting Behavior through Decomposition by Stainless-Steel Interfaces

In this work, we report on a combined experimental and theoretical study of the wetting and reactivity of water-lean carbon capture solvents on the surface of common column packing materials. Paradoxically, we find that these solvents are equally able to wet hydrophobic and hydrophilic surfaces. The solvents are amphiphilic and are able to adapt to any interfacial environment due to their inherent heterogeneous molecular structure. Ab initio molecular dynamics indicates that these structures enable the formation of a strong adlayer on the surface of hydrophilic surfaces like oxidized steel which promotes solvent decomposition akin to hydrolysis from surface oxides and hydroxides. This decomposition passivates the surface, making it effectively hydrophobic, and the decomposed solvent promotes leaching of the iron into the bulk fluid. This study links the wetting behavior to the observed corrosion of the steels via decomposition of solvent at steel interfaces. The overall affect is strongly dependent on the chemical composition of the solvent, in that amines are stable, whereas imines and alcohols are not. We also observed that plastic packing shows little to no solvent degradation, but an equal degree of wetting.

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

Biocatalytic Carboxylic Acid Reduction and Transamination in Cell‐Free Lysates at High Substrate Loading

Chemoselective reduction of stable carboxylic acids to reactive aldehydes is of interest across many industries. While carboxylic acid reductases (CARs) are promising biocatalysts for this chemistry, poor chemoselectivity and low yield are commonly obtained when using less expensive crude lysate preparations and prerequisite ATP and NADPH regeneration systems. Here, in this work, we developed a highly chemoselective multienzyme cascade featuring a CAR and an ω-transaminase (TA) in crude lysate format, with conversion of the dicarboxylic acid terephthalic acid (TPA) into the diamine para -xylylenediamine (pXDA) as the model chemistry. We improved chemoselectivity for pXDA using engineered aldehyde-stabilizing Escherichia coli strains, though desired product yields remained modest. We next found that CAR activity was limited at high substrate loadings and overcame this bottleneck by modulating the ratio of polyphosphate (polyP 6 ) to Mg 2+ , enabling volumetric scaling and increased substrate loading up to 50 mM TPA. We then showcased the portability of this platform across substrates, resulting in the synthesis of four other high-value amines from carboxylate precursors. The combination of high carboxyl group turnover, up to 93.5 mM under the tested conditions, and the simplicity of crude enzyme preparation is a promising platform for sustainable functional group interconversion.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Directly Spun Epoxy-Crosslinked Polyethylenimine Fiber Sorbents for Direct Air Capture and Postcombustion Capture of CO 2

A novel, directly injected solid fiber sorbent is synthesized from a solvent-stable, epoxy-crosslinked basic immobilized amine sorbent (BIAS) for CO 2 capture. Leach resistance of the BIAS organics toward 1-methyl-2-pyrrolidone/H 2 O (90/10, fiber solvent) reaches near 100% at the expense of CO 2 capture and is achieved by increasing the extent of crosslinking. The optimized fiber sorbent, prepared with an N,N-diglycidyl-4-glycidyloxyaniline/polyethylenimine (PEI)-0.35/1 wt. ratio, retains 79.2% of PEI and captures 0.37 (direct air capture [DAC]) and 0.67 (postcombustion) mmol CO 2 g-fiber -1 . A nonoptimized prototype hollow fiber exhibits a stable 0.2 mmol CO 2 g-fiber -1 during DAC cycling and is assembled into a ten-fiber module. In conclusion, these results demonstrate a large step toward practical application of this material.

42 ENGINEERING↗
DOE OSTI2026

Theoretical and kinetic modeling study of hydrazine oxidation

The present work constitutes the first theoretical and kinetic modeling study of hydrazine oxidation, which may be important for burnout in ammonia-fueled combustion. The kinetics of the oxidation of N 2 H 4 , N 2 H 3 and tHNNH by molecular oxygen were investigated via a quantum chemistry/canonical transition state theory approach. Geometries and anharmonic frequencies were obtained with density functional theory, and energies from coupled cluster calculations (CCSD(T)) extrapolated to the infinite basis set limit, with corrections for core-valence electron correlation, scalar relativistic effects, and higher level correlation up to lambda coupled cluster, CCSDT(Q) Λ . The key reactions occurred on the N 2 H 4 O 2 potential energy surface, where the results indicated a fast reaction of N 2 H 3 with HO 2 via singlet adducts to yield tHNNH + H 2 O 2 and HNN(H)O + H 2 O, while reaction on the triplet surface proceeds via a bound complex followed by a tight, submerged barrier to yield N 2 H 4 + O 2 . The results were incorporated in a detailed reaction mechanism, which was used to interpret the shock tube results from Michel and Wagner (1965) on the effect of O 2 on hydrazine conversion at 1100–1400 K. The kinetic model captured qualitatively the observed behavior, but underestimated the reaction rate under oxidizing conditions. The hydrazine pyrolysis chemistry dominated conversion at reducing conditions and/or high temperature. At oxidizing conditions and intermediate temperatures (≲ 1400 K), reactions of N 2 -amines with HO 2 and O 2 were important for the oxidation rate.

Ab initio calculations↗
DOE OSTI2023

Cost details from front-end engineering design of piperazine with the advanced stripper

This Front-End Engineering Design (FEED) was funded by the U.S. Department of Energy (DOE) to estimate the cost to capture and compress 90% of the CO 2 from an existing natural gas combined cycle (NGCC) in Denver City, Texas, USA. The FEED used the PZAS (Piperazine with the Advanced Stripper) 2G amine scrubbing technology developed and modeled by The University of Texas at Austin. This FEED is unique in providing more public cost details than other FEEDs funded by DOE. The primary objective of the FEED was to provide a comprehensive estimate for the total installed cost of the capture plant. The estimated capital cost of NGCC at the Mustang Station is $\$727$ million for a capacity of 460 MW and 1.6 million tonnes CO 2 /yr. This includes a contingency of $\$104.6$ million and a contractor’s profit of $\$60.1$ million. The total direct field cost is $\$384.1$ million. With an optimistic fuel value of $\$3$/MMBtu, the estimated cost of capture varies from $\$85$/t at 4% IRR/85% load to $\$170$/t at 10% IRR/52% load. Air cooling is technically feasible but expensive. The air cooling systems for the water wash and pump-around intercooling account for 23.4% of the direct cost. The gas-fired boilers represent only 4% of the direct costs, but steam extraction would reduce energy cost, free up cooling water, and reduce the direct costs of processing additional flue gas and CO 2 from the boilers. The absorbers represent 9.6% of the direct cost in this FEED with no direct contact cooler and only 7.6 m of packing. Furthermore, the solvent cross exchangers are less expensive than expected (2.5% of direct costs). Doubling the number of these exchangers could reduce the heat duty from 3.0 to 2.5 GJ/t CO 2 .

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

Aqueous ionic liquid–mediated depolymerization of textile waste

Textile waste, dominated by polyester-cotton blends, largely evades recycling and ends up in landfills or incinerators. Here, we demonstrate an aqueous ionic liquid–mediated route for selective depolymerization of textile waste, including polyester and polycotton (polyester/cotton blend). Using aqueous cholinium lysinate ([Ch][Lys]), we depolymerized poly(ethylene terephthalate) (PET) textiles with over 95 % terephthalic acid (TPA) yields, comparable to virgin PET resin. Notably, colored fabrics showed no inhibitory effect from dyes. While protic ionic liquids such as ethanolammonium acetate showed limited efficiency, their precursor amine enabled near-complete PET conversion—ethanolamine promoted aminolysis with byproduct formation whereas butylamine achieved higher TPA recovery through combined hydrolysis and aminolysis. Importantly, polycotton blends achieved complete PET depolymerization with TPA yield above 85 % and preserved cotton. These results establish aqueous ionic liquids as efficient, selective agents for deconstructing polyester in blended textiles, offering flexible product and ionic liquid management pathways toward scalable and facile textile recycling.

Amines↗
DOE OSTI2020

Maximizing the grafting of zwitterions onto the surface of ultrafiltration membranes to improve antifouling properties

Superhydrophilic zwitterions have been extensively exploited for surface modification to improve antifouling properties. However, it remains challenging to form layers of <20 nm with high zwitterion content on the surfaces with different degrees of hydrophilicity. We demonstrate that amine-functionalized sulfobetaine (SBAm) can be co-deposited with dopamine on ultrafiltration (UF) membranes, leading to a thickness of 10 nm to 50 nm and an SBAm content of up to 31 mass% in the coating layers. The covalently grafted SBAm is stable underwater and improves the antifouling properties, as evidenced by the lower trans-membrane pressure required to retain targeted water fluxes than that required for the pristine membranes. Finally, the SBAm is also more effective than conventionally used sulfobetaine methacrylate (SBMA) for the zwitterion grafting on the surface to improve antifouling properties

42 ENGINEERING↗
DOE OSTI2024

The carbon challenge: Design, synthesis, and chemisorption behavior of solid sorbents in direct air capture of carbon dioxide

Direct air capture (DAC) of CO 2 is a promising solution for reducing the carbon footprint through "negative emission" technology. However, the low CO 2 concentration (~400 ppm) and the dynamic nature of DAC processes present challenges in designing effective sorbent systems. Recent advancements in material design and structural engineering have led to the development of high-performance solid sorbents, offering a more stable, safe, and energy-efficient alternative to traditional liquid CO 2 capture methods. This review highlights progress in solid sorbent-based DAC, focusing on amine-modified materials, hydrogen-bonded frameworks, and ionic liquid-engineered scaffolds. The discussion covers design principles, synthesis methodologies, and their impact on CO 2 chemisorption, comparing the advantages and limitations of each approach. Characterization techniques, especially operando methods and computational tools, are reviewed to understand sorbent behavior during CO 2 integration and release. The reaction pathways and interaction mechanisms of these sorbents with CO 2 are analyzed to guide future design. Additionally, the CO 2 chemisorption behaviors, including capacity, sorption kinetics, recyclability, and durability in the presence of gaseous impurities and under humid conditions will be evaluated and compared. Further, the review offers unique insights into the physical properties, chemical structures, and surface engineering effects of these sorbents, based on comprehensive characterization and evaluation techniques.

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

Reprocessable and Recyclable Polymer Network Electrolytes via Incorporation of Dynamic Covalent Bonds

Mechanically durable polymer network electrolytes are desirable for batteries; however, covalent cross-linking adversely affects their large-scale manufacturing, and they are difficult to recycle post-lifespan. In this work, we address the electrolyte reprocessability and recyclability challenges through the use of dynamic covalent bonds for polymer network solid electrolytes. Specifically, the associative dynamic vinylogous urethane motif is incorporated into a poly(ethylene oxide) network electrolyte containing lithium bis(fluorosulfonyl)imide (LiFSI) salt. The resulting dynamic covalent network electrolyte possesses a modest ion conductivity (~10–5 S/cm at room temperature) and good reprocessability. Stress–relaxation studies indicate that the LiFSI salt can catalyze the bond exchange and enhance the network dynamics. Furthermore, the reprocessability associated with bond exchange can be tuned by simply adjusting the formulation of reagent compositions, in which increasing the amount of excess amine or using a shorter chain of PEO prepolymer can further enhance the network dynamics and corresponding reprocessability.

25 ENERGY STORAGE↗