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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Effect of H 2 O Vapor on the Adsorption and Desorption Behavior of CO 2 in a Solid Amine Sorbent

The effect of H 2 O vapor on the adsorption and desorption of CO 2 and vice versa, both on a commercially viable solid amine sorbent (SAS), were studied using a thermogravimetric analyzer at constant temperature. The SAS was prepared by physically immobilizing PEI (M n 423) in a porous silica (CARiACT G10). Studies were carried out at two concentrations of CO 2 (2 vol % in N 2 and 100 vol %), one concentration of H 2 O vapor (2 vol %), and four temperatures (40, 60, 80, and 100 °C). The results revealed three separate and identifiable mechanisms or processes taking place on the SAS, i.e., the individual adsorption of CO 2 or H 2 O and the coadsorption of H 2 O and CO 2 . The individual adsorption of either CO 2 or H 2 O was noncompetitive or completely independent of each other thermodynamically for both concentrations of CO2 and all four temperatures. In addition, the individual adsorption of CO 2 was fully reversible, while the individual adsorption of H 2 O was only partially reversible. The coadsorption of CO 2 and H 2 O was exothermic, with either irreversible or very slow desorption kinetics. Coadsorption was observed appreciably only at 60 and 40 °C at both CO 2 concentrations and only very slightly at 80 °C and 2 vol % CO 2 . It was not observed at 100 °C at either CO 2 concentration or at 80 °C at 100 vol % CO 2 . The influence of CO 2 or H 2 O on the kinetics of any of these processes was revealed only at the two lower temperatures, with H 2 O having a positive influence on the desorption kinetics of CO 2 at 40 °C and with CO 2 , if adsorbed previously, having a negative influence on the adsorption kinetics of both H 2 O and the coadsorption of both CO 2 and H 2 O at both 60 and 40 °C. When these effects existed, they were not that significant, at least not at 2 vol % H 2 O vapor. Finally, these results thus indicated that the effect of H 2 O vapor in the feed of a CO 2 stream does not have to be accounted for mechanistically when modeling a cycle adsorption process based on this commercially viable SAS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Structure and Thermal Stability of (H 2 O) 4 Tetrahedron and (H 2 O) 6 Hexagon Adsorbed on NaY Zeolite Studied by Synchrotron-Based Time-Resolved X-ray Diffraction

Water adsorption and desorption features play an important role in determining the adsorptive and catalytic properties of zeolites. In this study, the extraframework structure (water and cations) in NaY faujasite zeolite was studied by synchrotron-based in situ time-resolved X-ray diffraction (TR-XRD) in combination with the Rietveld refinement method. It was observed that Na cations locating at different sites migrated between each other during the dehydration process. Water molecules at three separate sites showed interesting geometries: (H 2 O) 4 tetrahedron W1, (H 2 O) 6 ice-like hexagonal W2, and disordered triangle W3. Interactions between each form of water and Na cations were deeply investigated. Here, the stability of the waters followed the sequence of W1 > W3 > W2. This work provides insights into both framework structure and cation positions of model zeolite under actual working conditions, which helps fully understand the properties of zeolites.

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

Automated Calibration for Rapid Optical Spectroscopy Sensor Development for Online Monitoring

An automated platform has been developed to assist researchers in the rapid development of optical spectroscopy sensors to quantify species from spectral data. This platform performs calibration and validation measurements simultaneously. Real-time, in situ monitoring of complex systems through optical spectroscopy has been shown to be a useful tool; however, building calibration models requires development time, which can be a limiting factor in the case of radiological or otherwise hazardous systems. While calibration time can be reduced through optimized design of experiments, this study approached the challenge differently through automation. The ATLAS (Automated Transient Learning for Applied Sensors) platform used pneumatic control of stock solutions to cycle flow profiles through desired calibration concentrations for multivariate model construction. Additionally, the transients between desired concentrations based on flow calculations were used as validation measurements to understand model predictive capabilities. This automated approach yielded an incredible 76% reduction in model development time and a 60% reduction in sample volume versus estimated manual sample preparation and static measurements. The ATLAS system was demonstrated on two systems: a three-lanthanide system with Pr/Nd/Ho representing a use case with significant overlap or interference between analyte signatures and an alternate system containing Pr/Nd/Ni to demonstrate a use case in which broad-band corrosion species signatures interfered with more distinct lanthanide absorbance profiles. Both systems resulted in strong model prediction performance (RMSEP < 9%). Lastly, ATLAS was demonstrated as a tool to simulate process monitoring scenarios (e.g., column separation) in which models can be further optimized to account for day-to-day changes as necessary (e.g., baseline correction). Ultimately, ATLAS offers a vital tool to rapidly screen monitoring methods, investigate sensor fusion, and explore more complex systems (i.e., larger numbers of species).

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Lignin Extraction and Condensation as a Function of Temperature, Residence Time, and Solvent System in Flow-through Reactors

Solvolytic extraction of lignin from biomass is a critical step in lignin-first biorefining, including the reductive catalytic fractionation (RCF) process. Key to optimal RCF processing is the ability to rapidly extract lignin from biomass at high delignification extents and transfer the lignin molecules to a catalyst surface in a time frame that minimizes lignin condensation reactions. Here, we use a flow-through reactor to study the effects of temperature (175-250 °C), residence time (9 to 36 min), and solvent composition (methanol and methanol-water) on lignin extraction and condensation. We evaluated three metrics at each condition: total delignification, delignification rate, and extent of condensation, the latter measured by a decrease in monomer yield for batch hydrogenolysis reactions of solvolysis liquor compared to batch RCF reactions. We observe that delignification is predominantly determined by temperature, while residence time dictates the lignin condensation extent. Moreover, the extent of both extraction and condensation increased in the methanol-water solvent system compared to that in the methanol system. Lignin extracted in methanol is stable up to 18-min residence times at or below 225 °C, while a majority of the lignin extracted in methanol-water is condensed with a 9-min residence time at 200 °C. These results can inform reactor designs and solvent selection for lignin-first biorefining processes that aim to physically separate the biomass and catalyst.

09 BIOMASS FUELS↗
DOE OSTI2018

Anion Exchange Membrane Electrolyzers as Alternative for Upgrading of Biomass-Derived Molecules

Upgrading biomass derived platform molecules to fuels or chemicals provides a unique alternative for the substitution of fossil sources with renewables. Electrochemical reduction (ECR) is one of the upgrading technologies, alternative to catalytic reduction, which only requires electricity as the energy input, which can be derived from carbon free energy sources. Moreover, ECR does not require external addition of hydrogen, as this can be generated in-situ. In this work an anion exchange membrane (AEM) electrolyte assembly (MEA) has been tested for the efficient reduction of biomass derived molecules, and compared with a cation exchange membrane (CEM) MEA. The cathode electrocatalyst has been modified with the addition of hydrophobicity and anion exchange ionomers, and incorporated onto an anion exchange membrane. Electrochemical experiments were performed with a metal free electrocatalyst in the presence and absence of surrogate compounds. The results showed that changes in the catalyst formulation can increase the overpotential for the competing hydrogen evolution reaction (HER), while significantly enhancing the reduction of the organic molecules. Bulk electrolysis experiments demonstrated higher efficiencies for furfural ECR in an AEM-MEA vs. AEM-CEM, reaching conversions up to 94% at 50 mA cm 2 and in the absence of supporting electrolyte. Moreover, AEM-MEA was able to facilitate water management during the reduction process and contribute to the separation of small carboxylic acids.

09 BIOMASS FUELS↗
DOE OSTI2019

Accelerating and Parallelizing Lagrangian Simulations of Mixing-Limited Reactive Transport

Recent advances in random walk particle tracking have enabled direct simulation of mixing and reactions by allowing the particles to interact with each other using a multipoint mass transfer scheme. The mass transfer scheme allows separation of mixing and spreading processes, among other advantages, but it is computationally expensive because its speed depends on the number of interacting particle pairs. This note explores methods for relieving the computational bottleneck caused by the mass transfer step, and we use these algorithms to develop a new parallel, interacting particle model. The new model is a combination of a sparse search algorithm and a novel domain decomposition scheme, both of which offer significant speedup relative to the reference case—even when they are executed serially. We combine the strengths of these methods to create a parallel particle scheme that is highly accurate and efficient with run times that scale as 1/P for a fixed number of particles, where P is the number of computational cores (equivalently, subdomains, in this work) being used. Here, the new parallel model is a significant advance because it enables efficient simulation of large particle ensembles that are needed for environmental simulations and also because it can naturally pair with parallel geochemical solvers to create a practical Lagrangian tool for simulating mixing and reactions in complex chemical systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Root and Microbial Soil CO 2 and CH 4 Fluxes Respond Differently to Seasonal and Episodic Environmental Changes in a Temperate Forest

Upland forest soils are typically major atmospheric carbon dioxide (CO 2 ) sources and methane (CH 4 ) sinks, but the contributions of root and microbial processes, as well as their separate temporal responses to environmental change, remain poorly understood. This 2-year study was conducted in a temperate, deciduous forest located on the Chesapeake Bay in Maryland, USA. We used temporal CO 2 and CH 4 flux measurements, exclusion-source partitioning, and an ecosystem-scale flooding experiment to understand how carbon (C) fluxes, and their root and microbial sources, respond to seasonal and episodic environmental change. Here, we show that the root-and-rhizosphere component of soil CO 2 and CH 4 flux is significant and that its dependence on soil temperature and volumetric water content (VWC) influences soil C dynamics at seasonal timescales. Experimental flooding shows that CO 2 and CH 4 flux responses to episodic moisture change were driven by suppression of soil heterotrophs, while root respiration did not respond to transient hydrologic disturbance. Methane uptake responded strongly to episodic inundation, reinforcing the important role of soil moisture in the short-term control of the forest soil CH 4 sink. However, despite the clear seasonality of CH 4 uptake, as well as its strong response to short-term experimental inundation, temperature and VWC were weak predictors of CH 4 uptake at a seasonal timescale. We suggest that CH 4 consumption in the long-term may be determined by vegetation, nutrients, microbial communities, or other factors correlated with seasonal changes. Our results indicate that root and microbial sources of both CO 2 and CH 4 flux respond differently in timing and magnitude to seasonal and episodic environmental change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Upgrading carbon monoxide to bioplastics via integrated electrochemical reduction and biosynthesis

It is challenging to obtain high-value hydrocarbons that are longer than C 3 via electrochemical CO 2 /CO reduction. Integrating electrochemical CO 2 /CO electrolysers with a downstream bioreactor is one solution for obtaining high-value long-chain products, but the electrolytes in these two systems are mismatched, preventing smooth integration. Furthermore we demonstrate a porous solid electrolyte reactor that produces highly selective and electrolyte-free acetate and couple it with a biosynthesis system for generating C 4+ polyhydroxybutyrate bioplastic. A finely tuned electrolyte containing biocompatible salt medium with acetate can be directly injected into the downstream bioreactor without any separation or salt-mixing processes. In the optimized coupled platform, Ralstonia eutropha bacteria can grow with acetate generated from the CO electrocatalytic reduction reactor, and produce bioplastic as the final value-added product.

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

Gradient porosity electrodes for fast charging lithium-ion batteries

The tendency of Li plating at the surface of thick graphite electrodes greatly limits their application in electrical vehicle (EV) batteries for fast charging applications. To address this concern, we proposed an innovative gradient porosity architecture to facilitate mass transport and suppress Li plating in the thick anodes for fast charging applications. This concept was approved through a thick 3-layered graphite electrode with the highest porosity in the top layer and the lowest porosity in the bottom layer, in contact with the current collector. Here, the gradient porosity structure in the 3-layered graphite electrodes was confirmed by electron microscopy and mercury porosimetry measurements. Used as the anodes of lithium-ion batteries, 3-layered graphite electrodes demonstrated unprecedentedly rate capability and durability superior to 1-layered electrodes. The post-mortem analysis on the cycled cells shows that 3-layered electrodes can significantly suppress Li plating at a high rate up to 4C, which might be responsible for the improved performance of the derived cells. The excellent electrochemical behaviors of 3-layered graphite electrodes are associated with the favored mass transport originating from the unique gradient porosity structure. This is consistent with theoretical studies showing that gradient porosity lowers the Li-ion concentration gradient in the electrolyte in the region close to the separator and slows down the process of reaching the Li plating threshold.

25 ENERGY STORAGE↗
DOE OSTI2025

Thermodynamically leveraged solventless aerobic deconstruction of polyethylene-terephthalate plastics over a single-site molybdenum-dioxo catalyst

Here, we describe the solventless catalytic deconstruction of polyethylene-terephthalate (PET) under an aerobic atmosphere, mediated by an earth-abundant, low-cost activated carbon (AC)-supported single-site molybdenum-dioxo catalyst (AC/MoO 2 ). Catalytic amounts of AC/MoO 2 selectively convert waste PET into its monomer, terephthalic acid (TPA), within 4 h at 265 °C with yields as high as 94% under 1 atm air. Pure crystalline TPA product sublimes from the reaction hot zone, crystallizing on the reactor cold zone, thus avoiding the need for separation and purification steps. This process does not employ any hazardous/toxic reducing agents or solvents, and the catalyst can be recycled multiple times without loss of activity, rendering this process highly atom-efficient. According to computational and experimental mechanistic studies, the AC/MoO 2 catalyst mediates a thermoneutral metal-catalyzed β-scission step, followed by an exothermic step that converts the vinyl benzoate intermediate to TPA and acetaldehyde using trace amounts of moisture in the air. The formation of gaseous acetaldehyde makes the isolation of TPA from the reaction mixture facile and industrially favorable, especially since solvents are unnecessary. The present methodology is also extended to the deconstruction of other frequently used polyester plastics, polybutylene terephthalate (PBT), polyethylene naphthalate (PEN), and polyethylene furanoate (PEF), and operates equally well with post-consumer waste products. Notably, this process is also compatible with plastic mixtures of polyesters with polyolefins, polyamides, and polycarbonates, leading to the selective conversion of each polyester to the corresponding monomer, leaving the residual polymer unchanged and polyester-free.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A review on nanomechanical resonators and their applications in sensors and molecular transportation

Nanotechnology has opened a new area in science and engineering, leading to the development of novel nano-electromechanical systems such as nanoresonators with ultra-high resonant frequencies. The ultra-high-frequency resonators facilitate wide-ranging applications such as ultra-high sensitive sensing, molecular transportation, molecular separation, high-frequency signal processing, and biological imaging. This paper reviews recent studies on dynamic characteristics of nanoresonators. A variety of theoretical approaches, i.e., continuum modeling, molecular simulations, and multiscale methods, in modeling of nanoresonators are reviewed. The potential application of nanoresonators in design of sensor devices and molecular transportation systems is introduced. The essence of nanoresonator sensors for detection of atoms and molecules with vibration and wave propagation analyses is outlined. The sensitivity of the resonator sensors and their feasibility in detecting different atoms and molecules are particularly discussed. Furthermore, the applicability of molecular transportation using the propagation of mechanical waves in nanoresonators is presented. An extended application of the transportation methods for building nanofiltering systems with ultra-high selectivity is surveyed. The article aims to provide an up-to-date review on the mechanical properties and applications of nanoresonators, and inspire additional potential of the resonators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Forward and small-x QCD physics results from CMS experiment at LHC

The Compact Muon Solenoid (CMS) is one of the two large, multi-purpose experiments at the Large Hadron Collider (LHC) at CERN. During the Run I Phase a large pp collision dataset has been collected and the CMS collaboration has explored measurements that shed light on a new era. Forward and small-x quantum chromodynamics (QCD) physics measurements with CMS experiment covers a wide range of physics subjects. Some of highlights in terms of testing the very low-x QCD, underlying event and multiple interaction characteristics, photon-mediated processes, jets with large rapidity separation at high pseudo-rapidities and the inelastic proton-proton cross section dominated by diffractive interactions are presented. Results are compared to Monte Carlo (MC) models with different parameter tunes for the description of the underlying event and to perturbative QCD calculations. The prominent role of multi-parton interactions has been confirmed in the semihard sector but no clear deviation from the standard Dglap parton evolution due to Bfkl has been observed. An outlook to the prospects at 13 TeV is given.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Self-similarity and scaling transitions during rupture of thin free films of Newtonian fluids

Rupture of thin liquid films is crucial in many industrial applications and nature such as foam stability in oil-gas separation units, coating flows, polymer processing, and tear films in the eye. In some of these situations, a liquid film may have two free surfaces (referred to here as a free film or a sheet) as opposed to a film deposited on a solid substrate that has one free surface. The rupture of such a free film or a sheet of a Newtonian fluid is analyzed under the competing influences of inertia, viscous stress, van der Waals pressure, and capillary pressure by solving a system of spatially one-dimensional evolution equations for film thickness and lateral velocity. The dynamics close to the space-time singularity where the film ruptures is asymptotically self-similar and, therefore, the problem is also analyzed by reducing the transient partial differential evolution equations to a corresponding set of ordinary differential equations in similarity space. Here, for sheets with negligible inertia, it is shown that the dominant balance of forces involves solely viscous and van der Waals forces, with capillary force remaining negligible throughout the thinning process in a viscous regime. On the other hand, for a sheet of an inviscid fluid for which the effect of viscosity is negligible, it is shown that the dominant balance of forces is between inertial, capillary, and van der Waals forces as the film evolves towards rupture in an inertial regime. Real fluids, however, have finite viscosity. Hence, for real fluids, it is further shown that the viscous and the inertial regimes are only transitory and can only describe the initial thinning dynamics of highly viscous and slightly viscous sheets, respectively. Moreover, regardless of the fluid’s viscosity, it is shown that for sheets that initially thin in either of these two regimes, their dynamics transition to a late stage or final inertial-viscous regime in which inertial, viscous, and van der Waals forces balance each other while capillary force remains negligible, in accordance with the results of Vaynblat, Lister, and Witelski.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multidimensional four-wave-mixing spectroscopy with squeezed light

A set of nonlinear spectroscopic measurements with quantum light is presented here. It involves a strong pump with frequency ω pu and a weak probe atω pr interacting with a solid state target to generate a conjugated beam ω c =2ω pu -ω pr via nondegenerate four-wave mixing. The $\chi^{(3)}$ susceptibility can be measured by the noise spectra of the intensity difference of the squeezed beams. We discuss three spectroscopic setups based on squeezed light: first, single four-wave mixing in a single crystal; second, cascading scheme involving two crystals; third, an $\textit{SU}$(1, 1) interferometer based on two separate four-wave mixing processes. We further investigate the microscopic noise and optical losses in all three setups. Simulations are presented for silicon-vacancy color centers in diamond.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Accomplishing simple, solubility-based separations of rare earth elements with complexes bearing size-sensitive molecular apertures

Significance Rare earth metals, La–Lu, Sc, and Y, are essential components of electronic materials and permanent magnets in diverse technologies. But, their mining and separations chemistry are unsustainable and plagued with supply problems. Recycling of consumer materials containing rare earths is a promising new source of these critical materials but similarly requires efficient separations. We report the use of a tripodal hydroxylaminato ligand, TriNOx 3– , with rare earth cations that enable fast, efficient separations through a simple leaching process. This approach is expected to contribute to a new method for recycling postconsumer materials including lighting phosphors and magnets, to diversify and improve the sustainability of the rare earth metal supply chain.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A cancer-associated polymorphism in ESCRT-III disrupts the abscission checkpoint and promotes genome instability

Cytokinetic abscission facilitates the irreversible separation of daughter cells. This process requires the endosomal-sorting complexes required for transport (ESCRT) machinery and is tightly regulated by charged multivesicular body protein 4C (CHMP4C), an ESCRT-III subunit that engages the abscission checkpoint (NoCut) in response to mitotic problems such as persisting chromatin bridges within the midbody. Importantly, a human polymorphism in CHMP4C (rs35094336, CHMP4C T232 ) increases cancer susceptibility. Here, we explain the structural and functional basis for this cancer association: The CHMP4C T232 allele unwinds the C-terminal helix of CHMP4C, impairs binding to the early-acting ESCRT factor ALIX, and disrupts the abscission checkpoint. Cells expressing CHMP4C T232 exhibit increased levels of DNA damage and are sensitized to several conditions that increase chromosome missegregation, including DNA replication stress, inhibition of the mitotic checkpoint, and loss of p53. Our data demonstrate the biological importance of the abscission checkpoint and suggest that dysregulation of abscission by CHMP4C T232 may synergize with oncogene-induced mitotic stress to promote genomic instability and tumorigenesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Dielectric performance of high permitivity nanocomposites: impact of polystyrene grafting on BaTiO 3 and TiO 2

Polymer nanocomposites are a promising concept to improve energy storage density of capacitors, but realizing their hypothetical gains has proved challenging. The introduction of high permittivity fillers often leads to reduction in breakdown strength due to field exclusion, which intensifies the applied electric field within the polymer matrix near nanoparticle interfaces. This has prompted research in developing new nanoparticle functionalization chemistries and processing concepts to maximize particle separation. Herein, we compare the dielectric performance of blended nanocomposites to matrix free assemblies of hairy (polymer-grafted) nanoparticles (HNPs) that exhibit comparable overall morphology. The dielectric breakdown strength of polystyrene-grafted BaTiO3 (PS@BaTiO3) systems was over 40% greater than a blended nanocomposite with similar loading (~25% v/v BaTiO3). Hairy nanoparticles with TiO2 cores followed similar trends in breakdown strength as a function of inorganic loading up to 40% v/v. Dielectric loss for PS@BaTiO3 HNPs was 2-5 times lower than analogous blended films for a wide frequency spectrum (1 Hz to 100 kHz). For BaTiO3 content above 7% v/v, grafting the polymer chains to the nanoparticle significantly improved energy storage density and efficiency, likely due to the polymer canopy mitigating interfacial transport and restricting particle-particle hot-spots by establishing a finite minimum particle separation.

25 ENERGY STORAGE↗
DOE OSTI2018

Ultra-thin and strong formvar-based membranes with controlled porosity for micro- and nano-scale systems

Here, we present a methodology for developing ultra-thin and strong formvar-based membranes with controlled morphologies. Formvar is a thin hydrophilic and oleophilic polymer inert to most chemicals and resistant to radiation. The formvar-based membranes are viable materials as support structures in micro- and macro-scale systems depending on thinness and porosity control. Tunable sub-micron thick porous membranes with 20%–65% porosity were synthesized by controlling the ratios of formvar, glycerol, and chloroform. This synthesis process does not require complex separation or handling methods and allows for the production of strong, thin, and porous formvar-based membranes. An expansive array of these membrane characterizations including chemical compatibility, mechanical responses, wettability, as well as the mathematical simulations as a function of porosity has been presented. The wide range of chemical compatibility allows for membrane applications in various environments, where other polymers would not be suitable. Our formvar-based membranes were found to have an elastic modulus of 7.8 GPa, a surface free energy of 50 mN m -1 and an average thickness of 125 nm. Stochastic model simulations indicate that formvar with the porosity of ~50% is the optimal membrane formulation, allowing the most material transfer across the membrane while also withstanding the highest simulated pressure loadings before tearing. Development of novel, resilient and versatile membranes with controlled porosity offers a wide range of exciting applications in the fields of nanoscience, microfluidics, and MEMS.

36 MATERIALS SCIENCE↗