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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Integration of hydrophobic gas diffusion layers for zero-gap electrolyzers to enable highly energy-efficient CO 2 electrolysis to C 2 products

Electrochemical CO 2 reduction (eCO2R) is an attractive route for mitigating global CO 2 emissions while producing value-added chemicals. Ethylene is one product of eCO2R and is an essential industrial precursor with a global market of $230 billion. The large-scale implementation of C 2 H 4 -selective CO 2 electrolyzers remains challenging because of low energy efficiencies. In this work, we develop the design principles necessary for incorporating an expanded polytetrafluoroethylene (ePTFE) electrode into a zero-gap electrolyzer while simultaneously developing an integrated electrical front contact that reduces the ohmic resistances inherent to electrically insulating gas diffusion layers. By co-designing the catalyst layer, gas diffusion medium, and operating conditions for a zero-gap ePTFE gas diffusion electrode (GDE), we achieved a full-cell voltage of 2.5 V at 200 mA cm −2 at 25 cm 2 geometric area cell with Faradaic efficiencies of 48% for ethylene and 40% for ethanol. This work highlights strategies for developing a scalable, stable, and highly energy-efficient eCO2R for C 2 products.

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

Impact of anion-exchange membrane degradation on long-term CO 2 electrolysis to ethylene

Electrochemical CO 2 reduction (eCO2R) to ethylene offers a unique opportunity to diversify domestic supply chains for chemical manufacturing. Large-scale deployment of eCO2R to ethylene reactors is currently limited by low energy efficiencies and poor durability. Herein, we demonstrate >100 h of continuous electrolysis at an industrially relevant current density of 200 mA cm −2 in a 25 cm 2 geometric area zero-gap reactor with a full-cell voltage <3.1 V and ethylene Faradaic efficiency >30%. Incorporating expanded polytetrafluoroethylene (PTFE)-supported electrodes into zero-gap reactors allows for durable electrode catalysts that are resistant to flooding, and this enables wider ranges of operating parameters not typically accessible in CO 2 electrolysis. Finally, we identify membrane degradation, evidenced by a loss of membrane ion-exchange capacity, as the leading cause of performance loss over 144 h of electrolysis.

Energy - Conversion↗
DOE OSTI2020

Combined electrocoagulation-microfiltration-membrane distillation for treatment of hydraulic fracturing produced water

Hydraulic fracturing flowback and produced water is a highly impaired wastewater containing dissolved salts polar and non-polar organic compounds, oil and surfactants. Here a combined electrocoagulation - microfiltration – membrane distillation process has been used to treat this wastewater. Electrocoagulation followed by microfiltration was used to pretreat the wastewater prior membrane distillation. The initial total dissolved solids (TDS) concentration was extremely high being 245,300 mg L -1 . After electrocoagulation, the total organic carbon (TOC) was reduced from 120 mg L -1 to 64 mg L -1 . Tangential flow microfiltration using a 0.1 μm pore size polyethersulfone membrane was used to separate the particulate matter after electrocoagulation and to further reduce the TOC to 44 mg L -1 . Membrane distillation was used to desalinate the pretreated produced water resulting in a high quality treated water (TDS of 56 mg L -1 and TOC 1 mg L -1 ). Three membranes with very different surface morphology were used: commercially available polyvinylidene fluoride, electrospun poly(vinylidene fluoride-co-hexafluoropropylene) nanofibers and multiwalled carbon nanotube coated polytetrafluoroethylene. The TDS in the retentate increased to over 350,000 mg L -1 . During membrane distillation, the temperature of the feed tank was maintained at 36 °C while the feed entered the module at 60 °C in order to minimize scaling on the membrane. The surface properties of an ideal membrane that is resistant to wetting and provides high flux is likely to depend on the TDS and properties of the wastewater.

42 ENGINEERING↗
DOE OSTI2020

Effects of various parameters of different porous transport layers in proton exchange membrane water electrolysis

Porous transport layers (PTLs) play an important role in proton exchange membrane water electrolysis (PEMWE) cells. The PTL facilitates water and gas transport, as well as thermal and electrical conduction, and is required to sustain good contact with adjacent components. It is expected that using PTLs with variations in material properties such as structure, composition, thickness and wettability results in performance changes of the PEMWE. Here, a general mathematical PEMWE model is developed that separates and analyzes the contributions of ohmic, activation, diffusion and Nernst potentials. For model validation, three inherently different anode PTL structures (carbon paper, sintered titanium particles, and titanium felt) are operated over a range of conditions. Additionally, the effects of PTL wettability were used to verify the model using Polytetrafluoroethylene (PTFE) treated Toray papers with PTFE loading ranging from 0% to 20%. The modeling results of both PTFE treated and untreated materials show good agreement with the experimental data. Mass transport or diffusion loss is the primary reason for performance differences between PTFE treated and untreated PTLs. Sintered titanium PTLs with thicknesses above 1 mm suffer from up to 33% increased ohmic losses without indicating any obvious changes in activation and diffusion losses when compared to untreated PTLs. The losses of the cell increase when using PTFE treated Toray paper. Individual contributions are quantified and assigned to increased ohmic, activation, and diffusion losses. In conclusion, the proposed model offers insights into the overpotential contributions of a PEMWE. It is a useful tool for predicting performance of various PTL materials and can be applied for PTL development and optimization efforts.

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

Experimental and computational study of the microporous layer and hydrophobic treatment in the gas diffusion layer of a proton exchange membrane fuel cell

Enabling fuel cell operation at high current density is critical for developing competitive alternative power system to replace internal combustion engine. However, liquid water management continues to be a challenge for high humidity or high current density operation. Water condensation in the porous media hinders efficient oxygen transport to the catalyst layer, which in turns, reduces fuel cell performance. To improve water management capability, the gas diffusion layer is often impregnated with Polytetrafluoroethylene (PTFE) and coated with a thin microporous layer, which have shown to improve fuel cell performance, especially under wet conditions. However, the fundamental mechanism that drives the performance enhancement is still not well understood. In this work, the effects of PTFE impregnation and MPL were studied using both experimental and computational techniques. Both limiting current and polarization tests under dry and wet operating condition are conducted to study the oxygen transport resistance and fuel cell performance. In addition, a 2-D, two-phase, multi-physics PEMFC model is developed to simulate performance and gain a fundamental understanding of local water saturation and oxygen concentration. The combined results show that 5 wt% PTFE impregnation with MPL significantly enhances liquid water management, which enables higher current density operation of a fuel cell.

25 ENERGY STORAGE↗
DOE OSTI2025

Surface modification of cathode material enhances electrochemical performance in dry-processed Li-ion battery electrodes

The transition to electric vehicles (EVs) is pivotal for achieving energy security and integrating grid stability, with lithium-ion batteries (LIBs) playing a central role in this transformation. However, the conventional wet electrode manufacturing relying on N-methyl-2-pyrrolidone (NMP) solvent is energy intensive and costly. Dry processing (DP) has emerged as a promising alternative, eliminating solvents and using polytetrafluoroethylene (PTFE) binder for electrode fabrications. Despite its advantages, DP faces a critical challenge: poor interfacial adhesion between the hydrophobic PTFE binder and the hydrophilic cathode active material (CAM), particularly LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811), which undermines electrode performance. Here, to address this, we introduced a novel vapor-phase trimethoxymethylsilane (TMMS) coating to hydrophobize the CAM surface, enhancing compatibility with PTFE. This surface modification significantly enhances binder – CAM interactions, enabling uniform mixing and robust electrode integrity without damaging the CAM particles. Our findings advance the feasibility of environmentally sustainable and cost-effective dry processing, representing a significant step toward sustainable battery manufacturing.

Choi, Junbin [Oak Ridge National Laboratory (ORNL)↗
DOE OSTI2023

Molecular Dynamics Investigation of Nanoscale Hydrophobicity of Polymer Surfaces: What Makes Water Wet?

The wettability of a polymer surface–related to its hydrophobicity or tendency to repel water–can be crucial for determining its utility, such as for a coating or a purification membrane. While wettability is commonly associated with the macroscopic measurement of a contact angle between surface, water, and air, the molecular physics that underlie these macroscopic observations are not fully known, and anticipating relative behavior of different polymers is challenging. To address this gap in molecular-level understanding, we use molecular dynamics simulations to investigate and contrast interactions of water with six chemically distinct polymers: polytetrafluoroethylene, polyethylene, polyvinyl chloride, poly(methyl methacrylate), Nylon 66, and polyvinyl alcohol. We show that several prospective quantitative metrics for hydrophobicity agree well with experimental contact angles. Moreover, the behavior of water in proximity to these polymer surfaces can be distinguished with analysis of interfacial water dynamics, extent of hydrogen bonding, and molecular orientation–even when macroscopic measures of hydrophobicity are similar. The predominant factor dictating wettability is found to be the extent of hydrogen bonding between polymer and water, but the precise manifestation of hydrogen bonding and its impact on surface-water structure varies. In the absence of hydrogen bonding, other molecular interactions and polymer mechanics control hydrophobic ordering. Furthermore, these results provide new insights into how polymer chemistry specifically impacts water-polymer interactions and translates to surface hydrophobicity. Such factors may facilitate the design or processing of polymer surfaces to achieve targeted wetting behavior, and presented analyses can be useful in studying the interfacial physics of other systems.

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

Helical Organic and Inorganic Polymers

Despite being a staple of synthetic plastics and biomolecules, helical polymers are scarcely studied with Gaussian-basis-set ab initio electron-correlated methods on an equal footing with molecules. This article introduces an ab initio second-order many-body Green’s-function [MBGF(2)] method with nondiagonal, frequency-dependent Dyson self-energy for infinite helical polymers using screw-axis-symmetry-adapted Gaussian-spherical-harmonics basis functions. Together with the Gaussian-basis-set density-functional theory for energies, analytical atomic forces, translational-period force, and helical-angle force, it can compute correlated energy, quasiparticle energy bands, structures, and vibrational frequencies of an infinite helical polymer, which smoothly converge at the corresponding oligomer results. These methods can handle incommensurable structures, which have an infinite translational period and are hard to characterize by any other method, just as efficiently as commensurable structures. We apply them to polyethylene (2/1 helix), polyacetylene (Peierls’ system), and polytetrafluoroethylene (13/6 helix) to establish the quantitative accuracy of MBGF(2)/cc-pVDZ in simulating their (angle-resolved) ultraviolet photoelectron spectra, and of B3LYP/cc-pVDZ or 6-31G** in reproducing their structures, infrared and Raman band positions, phonon dispersions, and (coherent and incoherent) inelastic neutron scattering spectra. We then predict the same properties for infinitely catenated chains of nitrogen or oxygen and discuss their possible metastable existence under ambient conditions. They include planar zigzag polyazene (N2)x (Peierls’ system), 11/3-helical isotactic polyazane (NH)x, 9/4-helical isotactic polyfluoroazane (NF)x, and 7/2-helical polyoxane (O)x as potential high-energy-density materials.

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

Material Failure Mechanisms of Alkaline Zn Rechargeable Conversion Electrodes

Zinc (Zn) alkaline electrodes hold great importance and promise in the battery technology community, yet their behavior in real-world applications is still poorly understood. Here, we report a study of failure mechanisms and material evolution during cycling of 27 zinc–manganese dioxide (Zn–MnO 2 ) cells wherein the percent utilization of the Zn electroactive material is systematically varied between 1 and 16%. Cell fabrication is kept typical of the prevailing industrial cell design. The cycle life ranges from 2800 to 60, depending inversely on the Zn utilization. In all cases, the Zn material microstructure sheds the polytetrafluoroethylene (PTFE) binder and forms zinc oxide (ZnO) rods, with longer rods formed by lower current per Zn mass. Irreversible side reactions such as the hydrogen evolution reaction (HER), short circuits, or gas crossover cause the Zn anode’s charging efficiency to average 92% (as low as 86%), which in turn causes the baseload of metallic Zn to gradually disappear. Cell failure occurs after the baseload of metallic Zn is exhausted. The total lifetime discharge capacity remains constant near 12 ± 5 Ah/g Zn invariant of Zn utilization, which suggests that the aforementioned processes of Zn microstructural evolution and side-reaction destruction of baseload metallic zinc both progress linearly with cell capacity throughput. Manual reproduction of individual Zn failure mechanisms is performed in 22 fresh cells. Tight packing of the microstructure can lead to poor mass transfer, which causes supersaturation of soluble Zn and finally produces a high overvoltage during discharge. Here, the low charging current density yields poor coulombic efficiency due either to the competitive HER or soft short circuits.

25 ENERGY STORAGE↗
DOE OSTI2023

Insights into the Chemistry of the Cathodic Electrolyte Interphase for PTFE-Based Dry-Processed Cathodes

Dry processing is a promising method for high-performance and low-cost lithium-ion battery manufacturing which uses polytetrafluoroethylene (PTFE) as a binder. However, the electrochemical stability of the PTFE binder in the cathodes and the generated chemistry of the cathode electrolyte interphase (CEI) layers are rarely reported. In this work, the CEI properties and PTFE electrochemical stability are studied via cycling the high-loading dry-processed electrodes in electrolytes with LiPF 6 or LiClO 4 salt. Using LiClO 4 salt can eliminate other possible F sources, allowing the decomposition of PTFE to be studied. The detection of LiF in cells with the LiClO 4 salt confirms that PTFE undergoes side reaction(s) in the cathodes. When compared with LiClO 4 , the CEI layer is much thicker when LiPF 6 is used as the electrolyte salt. These results provide insights into the CEI layer and may potentially enlighten the development of binders and electrolytes for the high efficiency and long durability of DP-based LIBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Fluoropolymer Composites from Partially Perfluoroalkylated Waste Polyethylene

Chemically modified plastics have emerged as practical solutions to plastic waste increases. Here, the inherent novelty of decorating polymer chains with chemical functionality results in distinct properties that expand the available application space. Nevertheless, developing designer materials for specific applications beyond compatibilization or mild property enhancement is difficult due to the synergistic effects of both the polar functionality imparted and the parent materials' intrinsic properties. By incorporating perfluoro-alkyl side-chains onto the backbone of dehydrogenated waste HDPE, unique surface properties intermediate between polytetrafluoroethylene (PTFE, the model fluoropolymer) and HDPE become apparent, while the overall material mechanical and thermal properties result in more LLDPE-like materials. This is demonstrated through moderate decreases in the surface free energy of the perfluoroalkylated polyolefin surface (increase in H 2 O contact angle of ~ 6°) and increased ordering under shear when blended with PTFE nanoparticles where the crossover point occurred at higher strains. Critically, perfluoroalkylated HDPE possesses improved rheological modification properties at elevated temperatures with PTFE nanoparticles, resulting in more thermally robust and stable composite materials.

fluoropolymer↗
DOE OSTI2021

Effects of a Layered Morphology on Drip Suppression in Burning Polymers

Fire safety in polymers is critically important with products such as textiles and consumer goods, as well as materials used in construction, aerospace, transportation, and furniture. Additives used as anti-dripping and flame-retardant agents impose acute human health issues and have negative environmental impacts. With a focus on developing additive-free solutions, here we used multilayer coextrusion to fabricate layered polyethylene/polypropylene (PE/PP) films and investigated the effect of a layered morphology on dripping and burning rates. The experimental results for multilayered PE/PP samples were compared to control groups of melt blended PE/PP samples. The multilayer configuration provides two significant advantages: 154% delay in the time to the first drip and up to 87% reduction in the number of drips compared to the value for the melt blended samples with no additives. PE/PP blends with up to 2 wt % polytetrafluoroethylene, a commonly used anti-dripping agent in the industry, showed only 85% delay in the time to the first drip and about 60% reduction in the number of drips. We discovered a linear relationship between film thickness and burning rate, which allows for the use of the volumetric burning rate to normalize the effect of film thickness. No benefit in the burning rate was observed when comparing multilayered structures and conventional melt blended architectures or blends with PTFE. Annealing studies and transmission electron microscopy at areas close to the combustion zones confirmed that higher extensional viscosities induced by the layered structures and morphological changes due to the layer breakup play an important role in reducing dripping. By combining the first drip time and overall drip numbers, a parameter, “dripping index”, was defined to establish a fire safety map to simplify material comparisons. This study demonstrates that a multilayer film geometry can provide an additive-free solution to yield control over fire safety parameters in polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Impact of Organic and Volatile Compounds in Produced Water from Unconventional Reservoirs on Direct Contact Membrane Distillation Permeate Quality

The expansion of oil and gas extraction from unconventional reservoirs has led to an increase in the amount of produced water that has to be managed by this industry. Direct contact membrane distillation (DCMD) is a promising technology for treatment of produced water to enable water recovery and reduce the environmental footprint of this industry. The feasibility of DCMD for the treatment of highly saline produced water from the Permian Basin in TX with commercially available polyethylene and polytetrafluoroethylene membranes was evaluated in this study. An increase in water recovery by a DCMD system operated in the batch (concentrating) mode led to an increase in permeate conductivity. Partial removal of organic compounds from the produced water by biodegradation, chemical oxidation, and/or activated carbon adsorption could not resolve deterioration in permeate quality, and none of the organics observed in the permeate contributed to its conductivity. The observed increase in permeate conductivity was attributed to the passage of ammonia vapor from the feed side followed by protonation on the permeate side. Furthermore, this study revealed that permeate conductivity may not always be a reliable indicator of membrane wetting and underscores the importance of understanding the interactions between specific solutes and membrane materials.

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

Enhancing carbon dioxide gas-diffusion electrolysis by creating a hydrophobic catalyst microenvironment

Electroreduction of carbon dioxide (CO 2 ) over copper-based catalysts provides an attractive approach for sustainable fuel production. While efforts are focused on developing catalytic materials, it is also critical to understand and control the microenvironment around catalytic sites, which can mediate the transport of reaction species and influence reaction pathways. Here, we show that a hydrophobic microenvironment can significantly enhance CO 2 gas-diffusion electrolysis. For proof-of-concept, we use commercial copper nanoparticles and disperse hydrophobic polytetrafluoroethylene (PTFE) nanoparticles inside the catalyst layer. Consequently, the PTFE-added electrode achieves a greatly improved activity and Faradaic efficiency for CO 2 reduction, with a partial current density >250 mA cm -2 and a single-pass conversion of 14% at moderate potentials, which are around twice that of a regular electrode without added PTFE. The improvement is attributed to a balanced gas/liquid microenvironment that reduces the diffusion layer thickness, accelerates CO 2 mass transport, and increases CO 2 local concentration for the electrolysis.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fabrication of a composite anion exchange membrane with aligned ion channels for a high-performance non-aqueous vanadium redox flow battery

Fabrication of high-conductivity ion exchange membranes (IEMs) is crucial to improve the performance of non-aqueous vanadium redox flow batteries (NAVRFBs). In the present work, anion exchange membranes with high-conductivity were fabricated by aligning ion channels of the polymer electrolyte impregnated in porous polytetrafluoroethylene (PTFE) under electric fields. It was observed that the ion channels of the polymer electrolyte were uniformly orientated in the atomic-force microscopy image. Its morphological change could minimize detouring of the transport of BF 4 - ions. The results showed through-plane conductivity was improved from 12.7 to 33.1 mS cm -1 . The dimensional properties of the fabricated membranes were also enhanced compared with its cast membrane owing to the reinforcing effect of the substrate. Especially, the NAVRFB assembled with the optimized membrane showed increased capacities, with a 97% coulombic efficiency and 70% energy efficiency at 80 mA cm -2 . Furthermore, the optimized membrane made it possible to operate the NAVRFB at 120 mA cm -2 . Its operating current density was 120 times higher than that of a frequently used AHA membrane for RFBs.

25 ENERGY STORAGE↗
DOE OSTI2020

Low-cost desalination of seawater and hypersaline brine using nanophotonics enhanced solar energy membrane distillation

A stand-alone small-scale nanophotonics enhanced solar membrane distillation (NESMD) testbed was designed, developed, and tested for desalinating seawater and high salinity feedwaters. This NESMD system can take almost any source water and turn it into clean water with sunlight as the only energy source. The NESMD technology applies nanophotonic coating materials on a commercial hydrophobic polypropylene support of a polytetrafluoroethylene (PTFE) membrane surface. The photothermal coating serves as a solar thermal collector, absorbs solar energy, and generates highly localized heat on the membrane, while the rest of the membrane performs membrane distillation functions. The presented NESMD system is equipped with an internal heat recovery system with no need for external electricity and no additional water for cooling. The NESMD testbed is installed and tested at Rice University campus (29.7174° N, 95.4018° W). In this study, real seawater from Galveston Bay, Texas, U.S. and high salinity simulated feedwaters (total dissolved solids (TDS) of 113 200–200 000 PPM) have been tested for long-term testing under the weather conditions of Houston, Texas. Here, the field testing results showed stable desalination performance in consecutive 5–8 hour operation cycles, with a TDS removal of ≥99.5% in all experiments. An average daily membrane flux of ≥0.75 L m –2 h –1 was achieved at a solar intensity close to 1 kW m –2 without an external heat exchanger. Further investigations and improvements are required to enhance the performance of the reactor since it is still a new promising technology.

14 SOLAR ENERGY↗
DOE OSTI2025

Fatty acid foams for nonselective physical removal of microplastics from aqueous solutions

Microplastics (MPs) are pervasive environmental contaminants whose removal from water remains a major challenge due to their small size, chemical diversity, and dynamic surface properties arising from environmental aging/weathering. Here, we present a concept of foam-based separation method that physically traps MPs in the foam phase using microtubular assemblies of 12-hydroxystearic acid. These foams are stabilized by anisotropic fatty acid microtubules formed in the presence of ethanolamine, which jam within the foam channels and suppress fluid drainage thereby enhancing MP retention and foam stability. MPs of different sizes, polymer compositions (including polystyrene, polypropylene, polyethylene terephthalate, and polytetrafluoroethylene), and weathered states were retained in the foam phase without requiring chemical modification or relying on chemical interactions between the fatty acid and MPs. Thermally induced transition of the fatty acid microtubules into nanomicelles above the characteristic phase transition temperature (∼35 °C) enables controlled foam collapse and recovery of trapped MPs. The cumulative removal efficiency can exceed 85% through multiple foaming cycles, matching predictions from a probabilistic retention model. This work shows that foams can provide a simple platform to trap MPs, thus providing a new physical-removal strategy that does not rely on the particles’ chemistry.

Guillot, Kennedy A. [Louisiana State Univ., Baton ↗