Search NASA⌕ Search

SEARCH · Search NASA

Results for “Transfer”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Device-scale CFD study for mass transfer coefficient and effective mass transfer area in packed column

Carbon dioxide (CO 2 ) is a significant contributor of greenhouse gases emissions responsible for global warming. The fossil-fueled power plant is one of the major sources of CO 2 emission worldwide and needs to be mitigated. Post-combustion carbon capture by chemical absorption can be a promising technology to reduce CO 2 emission from power plants. The absorption is carried out via countercurrent flow in the packed columns. Although monoethanolamine (MEA) is a popular solvent, it has also limitations such as high volatility of solvent, corrosivity that leads to product degradation and damage to apparatuses, low CO 2 loading capacity, etc. Therefore, alternate solvents are being explored as prospective materials for carbon capture. A water-lean solvent, CO 2 binding organic liquids (CO2BOL), is currently being developed as a prospective material in carbon capture at the Pacific Northwest National Laboratory. Since the development of the material is at the primitive stage, it needs extensive investigation before industrial deployments. Hydrodynamics and mass transfer phenomena in the packed column using CO 2 BOL is unknown. Computational fluid dynamics (CFD) can be a useful tool to understand these phenomena in the packed column. Before employing the extensive CFD investigations, one needs to carefully validate CFD predictions for accurate flow predictions. This report demonstrates the validation of multiphase flow simulations against the experimental results for both structured and random packed columns. The reactive multiphase flow simulations using volume of fluid method were conducted at a wide range of liquid loads and contacts angles. The effective area is one of the critical factors dictating interphase mass transfer due to chemical reactions. Accordingly, CFD-predicted effective areas were compared with the experimental results of Tsai et al. [1] for Mellapak 250.Y structured packing. Both results matched well at different liquid loads in the presence of fast chemical kinetics using caustic solvents. Further, reactive multiphase flow simulations were also conducted in pall ring random packing to compute effective areas in the presence of fast chemical reactions. The CFD-predicted effective area compared well with correlation developed by Song et al. [2]. With successful validations, the current simulation framework can be further used for prediction of hydrodynamics and mass transfer phenomena using CO 2 BOL solvents in the packed column. Subsequently, it would be helpful in design optimization of a packed column. In addition to validation of the CFD model, this report also explains the mechanism for enhanced liquid side mass transfer for a structured packed column as compared to the wetted wall column.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2017

PbS/CdS Core–Shell Quantum Dots Suppress Charge Transfer and Enhance Triplet Transfer

Abstract A sub‐monolayer CdS shell on PbS quantum dots (QDs) enhances triplet energy transfer (TET) by suppressing competitive charge transfer from QDs to molecules. The CdS shell increases the linear photon upconversion quantum yield (QY) from 3.5 % for PbS QDs to 5.0 % for PbS/CdS QDs when functionalized with a tetracene acceptor, 5‐CT . While transient absorption spectroscopy reveals that both PbS and PbS/CdS QDs show the formation of the 5‐CT triplet (with rates of 5.91±0.60 ns −1 and 1.03±0.09 ns −1 respectively), ultrafast hole transfer occurs only from PbS QDs to 5‐CT . Although the CdS shell decreases the TET rate, it enhances TET efficiency from 60.3±6.1 % to 71.8±6.2 % by suppressing hole transfer. Furthermore, the CdS shell prolongs the lifetime of the 5‐CT triplet and thus enhances TET from 5‐CT to the rubrene emitter, further bolstering the upconverison QY.

Huang, Zhiyuan↗
DOE OSTI2021

Prediction of moisture transfer in cement-based materials: Use of a porous network model to access transfer parameters

Knowing the water transport phenomena is fundamental for understanding the durability of cement-based materials. The moisture content within cementitious materials is of primary importance because it has a direct influence on mechanical (shrinkage, creep) and chemical (penetration of aggressive agents) degradation. Many models based on the determination of the transfer properties of the material under study already exist but require fitting of the parameters to find the experimental kinetics. Transfer parameters are generally estimated from the empirical approaches developed for soils by Van Genuchten and the water vapour diffusion reduction factor is often calculated via Millington's semi-empirical model. In this paper, we make a proposal to improve the prediction of moisture transfer, through mechanisms such as drying, capillary imbibition and water vapour permeability in cement-based materials, by using a porous network model to access the transfer parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Chirality transfer from chiral perovskite to molecular dopants via charge transfer states

Chiral perovskites are semiconductors with broken mirror symmetries. Their photo responses are often constrained in the UV range. In this work, we demonstrate that doping 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane in the chiral perovskite matrix introduces a visible light absorption feature through the emerging charge-transfer electronic states. These charge-transfer states exhibits circular dichroism inherited from the chiral host, indicating effective chirality transfer from host to guest component via electronic coupling. Quantum-chemical modeling identifies a strong wave function overlap between an electron and a hole of the guest-host in a closely packed crystal configuration promoting the charge transfer state’s optical activity. We further integrate the doped chiral perovskite film into photodetectors and demonstrate a selective detection of circularly polarized light in both UV and visible regions. Our results suggest a universal approach of introducing visible photo absorption states to the chiral matrix to broaden the optical active range while enhancing the electrical conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Heat transfer from glass melt to cold cap: Melting rate correlation equation

Increasing the efficiency of all-electric melters is a hot topic not only in the waste glass melting industry, where the melting rate directly influences the life cycle of the cleanup process, but also in the commercial glass industry, where increasingly stringent environmental regulations and rapid development of renewable energy sources ask for transformation of traditional fossil fuel technology. Batch-to-glass conversion in an all-electric melter proceeds in the cold cap—a layer of reacting and melting material floating on molten glass. The heat transfer into the cold cap is controlled by convection and conduction in the thermal boundary layer on the melt side, and by the properties of the foam layer at the cold cap/melt boundary. An overview of factors affecting heat transfer is presented and assessed using data from laboratory and pilot-scale experiments. The heat flux can be improved by (i) decreasing glass melt viscosity, (ii) decreasing the temperature at which the foam starts to collapse at the cold cap bottom, and (iii) increasing melt convection by bubbling gas into the glass melt under the cold cap. Detailed understanding of the conversion process can guide the formulation of feeds that melt easily and quickly.

Hrma, Pavel↗
DOE OSTI2020

Transfer and Flushing Evaluation for Potential Precipitated Solids in the 241-AP-106 to EMF Transfer Pipeline for DFLAW

Waste transfer pipeline flushing is necessary to maintain pipeline performance, but added flush fluid increases the nuclear waste inventory. During the Direct Feed Low-Activity Waste (DFLAW) mission, waste transfer lines from the Interim Low-Activity Waste Storage Tank (i.e., 241-AP-106) to the Hanford Waste Treatment and Immobilization Plant (WTP) Low-Activity Waste (LAW) Facility must have the capability of being flushed to prevent accumulation of solids and to mitigate corrosion concerns. Operational experience at Hanford has shown that the solids precipitation occurs during processing operations from dilute Hanford liquids. Pacific Northwest National Laboratory was requested to evaluate the potential precipitated solid particle transport and flushing operational capabilities of the AP-106 through the Effluent Management Facility (EMF) low-point drain LAW feed pipeline. The evaluation results do not provide operational requirements, but rather provide a scoping basis for understanding the potential operational significance of solids precipitation in the pipeline. The salt and aluminum phase solids most likely to precipitate from the LAW feeds during cooling, evaporation, or mixing have particle densities that are estimated to range from 1.62 to 2.78 g/mL and a spherical particle size range of 8 to 2100 μm, depending on the solid phase considered. Application of the method to calculate the critical deposition velocity required by TFC-ENG-STD-26 at conservatively bounding estimates for the solids concentrations demonstrates that potentially precipitated solids may deposit on the bottom of the transfer pipe invert at the lower LAW feed pipeline flow rate, but the upper LAW feed pipeline flow rate will likely prevent deposition. The system pressure limit for the AP-106 through the EMF low-point drain LAW feed pipeline likely exceeds any pressure loss at a calculated critical deposition velocity even for the most adverse potential precipitated solid. However, should solids settle as a result of no-flow conditions, the flow capabilities of the AP-106 through the EMF low-point drain LAW feed pipeline are shown, based on the available literature, to be potentially inadequate for effective flushing operations to remove solids, even at solids concentrations below the maximum specified for LAW feed. Thus, stepwise solids accumulations over multiple transfers may be an issue, and eventual line plugging may occur. Further inadequacies may potentially be realized should the cohesive nature of certain precipitates be accounted for.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1985

Turbine Vane External Heat Transfer. Volume 1: Analytical and Experimental Evaluation of Surface Heat Transfer Distributions with Leading Edge Showerhead Film Cooling

Progress in predictive design capabilities for external heat transfer to turbine vanes was summarized. A two dimensional linear cascade (previously used to obtain vane surface heat transfer distributions on nonfilm cooled airfoils) was used to examine the effect of leading edge shower head film cooling on downstream heat transfer. The data were used to develop and evaluate analytical models. Modifications to the two dimensional boundary layer model are described. The results were used to formulate and test an effective viscosity model capable of predicting heat transfer phenomena downstream of the leading edge film cooling array on both the suction and pressure surfaces, with and without mass injection.

Turner, E. R.↗
NASA NTRS1986

The effects of inlet turbulence and rotor/stator interactions on the aerodynamics and heat transfer of a large-scale rotating turbine model. Volume 3: Heat transfer data tabulation 65 percent axial spacing

This is Volume 3 - Heat Transfer Data Tabulation (65 percent Axial Spacing) of a combined experimental and analytical program which was conducted to examine the effects of inlet turbulence on airfoil heat transfer. The experimental portion of the study was conducted in a large-scale (approximately 5X engine), ambient temperature, rotating turbine model configured in both single stage and stage-and-a-half arrangements. Heat transfer measurements were obtained using low-conductivity airfoils with miniature thermocouples welded to a thin, electrically heated surface skin. Heat transfer data were acquired for various combinations of low or high inlet turbulence intensity, flow coefficient, first-stator/rotor axial spacing, Reynolds number and relative circumferential position of the first and second stators.

Dring, R. P.↗
DOE OSTI2026

Non-ideal stoichiometry and thermochemistry of aqueous iridium oxide nanoparticles in proton-coupled electron transfer and oxygen-atom transfer

Reported here are reactions of aqueous colloidal IrO x nanoparticles (NPs) with proton-coupled electron transfer (PCET) and oxygen-atom transfer (OAT) organic reagents, determining the reaction stoichiometries and thermochemistry. IrO x NPs have attracted much attention for their high electrocatalytic activity, but understanding of their fundamental reaction chemistry is limited. This IrO x NP model system is simple, with UV-vis titrations demonstrating reversible interconversion between predominantly Ir IV and predominantly Ir III NPs. This simplicity allows studies that reveal their complex non-idealities. The NP redox chemistry has a “super-Nernstian” stoichiometry of ∼1.3H + per 1e − transferred during both PCET and OAT reactions, as measured with electrochemistry and chemical methods. Spectroelectrochemistry revealed a broad distribution of surface IrO x –H bond dissociation free energies (BDFEs), becoming weaker as more H is added. Such variation in binding strengths—a non-ideal binding isotherm—is common for surface adsorbates. For IrO x , the variation of BDFE(IrO–H)s is fit well to a Frumkin isotherm with a width of 6.5 kcal mol −1 . For OAT from the reactive oxygen atoms of IrO x NPs, bracketing experiments gave 93 ± 24 kcal mol −1 for the average BDFE(O x Ir–O), with a predicted spread much larger than that for the BDFE(IrO–H). Taken together, the results show the importance of non-ideal stoichiometry and thermochemistry for IrO x NPs, and they open a path to more complete models to understand catalytic redox reactions at such surfaces.

Iridium Oxide Nanoparticles (NPs)↗
DOE OSTI2017

Enhancing Mo:BiVO 4 Solar Water Splitting with Patterned Au Nanospheres by Plasmon-Induced Energy Transfer [Rational Nanopositioning for BiVO 4 Solar Water Splitting by Plasmon-induced Energy Transfer]

Here, plasmonic metal nanostructures have been extensively investigated to improve the performance of metal oxide photoanodes for photoelectrochemical (PEC) solar water splitting cells. Most of these studies have focused on the effects of those metal nanostructures on enhancing light absorption and enabling direct energy transfer via hot electrons. However, several recent studies have shown that plasmonic metal nanostructures can improve the PEC performance of metal oxide photoanodes via another mechanism known as plasmon–induced resonant energy transfer (PIRET). However, this PIRET effect has not yet been tested for the molybdenum–doped bismuth vanadium oxide (Mo:BiVO 4 ), regarded as one of the best metal oxide photoanode candidates. Here, this study constructs a hybrid Au nanosphere/Mo:BiVO 4 photoanode interwoven in a hexagonal pattern to investigate the PIRET effect on the PEC performance of Mo:BiVO 4 . This study finds that the Au nanosphere array not only increases light absorption of the photoanode as expected, but also improves both its charge transport and charge transfer efficiencies via PIRET, as confirmed by time–correlated single photon counting and transient absorption studies. As a result, incorporating the Au nanosphere array increases the photocurrent density of Mo:BiVO 4 at 1.23 V versus RHE by ≈2.2–fold (2.83 mA cm –2 ).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Large Area Transfer of Bismuth‐Based Layered Oxide Thin Films Using a Flexible Polymer Transfer Method

Magnetic and ferroelectric oxide thin films have long been studied for their applications in electronics, optics, and sensors. The properties of these oxide thin films are highly dependent on the film growth quality and conditions. To maximize the film quality, epitaxial oxide thin films are frequently grown on single-crystal oxide substrates such as strontium titanate (SrTiO 3 ) and lanthanum aluminate (LaAlO 3 ) to satisfy lattice matching and minimize defect formation. However, these single-crystal oxide substrates cannot readily be used in practical applications due to their high cost, limited availability, and small wafer sizes. One leading solution to this challenge is film transfer. In this demonstration, a material from a new class of multiferroic oxides is selected, namely bismuth-based layered oxides, for the transfer. A water-soluble sacrificial layer of Sr 3 Al 2 O 6 is inserted between the oxide substrate and the film, enabling the release of the film from the original substrate onto a polymer support layer. The films are transferred onto new substrates of silicon and lithium niobate (LiNbO 3 ) and the polymer layer is removed. These substrates allow for the future design of electronic and optical devices as well as sensors using this new group of multiferroic layered oxide films.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Modeling multi-nucleon transfer in symmetric collisions of massive nuclei

Symmetric collisions of massive nuclei, such as U-238 + Cm-248, have been proposed as ways to make new n-rich heavy nuclei via multi-nucleon transfer (MNT) reactions. We have measured the yields of several projectile-like and target-like fragments from the reaction of 1360 MeV Hg-204 + Pt-198. We find that current models for this symmetric collision (GRAZING, DNS, ImQMD) significantly underestimate the yields of these transfer products, even for small transfers. (C) 2017 The Author(s). Published by Elsevier B.V.

Welsh, T.↗
DOE OSTI2022

Pathways for Electron Transfer at MgO–Water Interfaces from Ab Initio Molecular Dynamics

The nature of electron transfer across metal oxide–water interfaces depends significantly on the band gap of the oxide and its band edge energies relative to the potentials of relevant aqueous redox couples. Here we focus on the water interface with MgO, a prototypical wide band gap oxide whose conduction band edge is close in energy to that of water. We investigate the behavior of an excess electron at and out of equilibrium near the interface using ab initio molecular dynamics based on hybrid density functional theory. Our simulations show that under equilibrium conditions the excess electron (donated by an Al impurity in MgO) localizes to a midgap defect state comparable in energy and shape to a hydrated electron in bulk water. To characterize the electron transfer from the conduction band of MgO to interfacial product states, we dope near-equilibrium configurations of the pristine MgO–water system with Al and run short trajectories of these instantaneously out-of-equilibrium systems. Here we observe two distinct products associated with the excess electron: a surface-localized electron (e surf –) and an aqueous hydrogen radical (H • ). The H • pathway exhibits a much higher activation barrier despite being more exoergic, making e surf – the kinetic product. Our characterization of the pathways on the basis of Marcus theory is consistent with the poor observed utility of MgO for water radiolysis. Moreover, we anticipate that the computational framework employed here will be broadly applicable to assessing electron transfer mechanisms at aqueous, photocatalytic interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Mechanisms for Hydrogen-Atom Abstraction by Mononuclear Copper(III) Cores: Hydrogen-Atom Transfer or Concerted Proton-Coupled Electron Transfer?

In a possibly biomimetic fashion, formally copper(III)–oxygen complexes LCu(III)–OH (1) and LCu(III)–OOCm (2) (L 2– = N,N'-bis(2,6-diisopropylphenyl)-2,6-pyridinedicarboxamide, Cm = α,α-dimethylbenzyl) have been shown to activate X–H bonds (X = C, O). Herein, we demonstrate similar X–H bond activation by a formally Cu(III) complex supported by the same dicarboxamido ligand, LCu(III)–O 2 CAr 1 (3, Ar 1 = meta-chlorophenyl), and we compare its reactivity to that of 1 and 2. Kinetic measurements revealed a second order reaction with distinct differences in the rates: 1 reacts the fastest in the presence of O–H or C–H based substrates, followed by 3, which is followed by (unreactive) 2. The difference in reactivity is attributed to both a varying oxidizing ability of the studied complexes and to a variation in X–H bond functionalization mechanisms, which in these cases are characterized as either a hydrogen-atom transfer (HAT) or a concerted proton-coupled electron transfer (cPCET). Select theoretical tools have been employed to distinguish these two cases, both of which generally focus on whether the electron (e – ) and proton (H + ) travel “together” as a true H atom, (HAT), or whether the H + and e – are transferred in concert, but travel between different donor/acceptor centers (cPCET). In this work, we reveal that both mechanisms are active for X–H bond activation by 1–3, with interesting variations as a function of substrate and copper functionality.

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

Nonradiative Recombination via Charge-Transfer-Exciton to Polaron Energy Transfer Limits Photocurrent in Organic Solar Cells

Here, a recombination and exciton loss mechanism is reported in organic solar cells involving energy transfer between charge transfer (CT) excitons and polarons, impacting photocurrent generation, particularly in the near-infrared where polaronic transitions typically reside. This process sets a low-energy cut-off in the external quantum efficiency spectrum of an excitonic donor/acceptor interface, determined by the low-energy polaron absorption peak and the CT state reorganization energy. Furthermore, this process explains the deviation from unity and bias dependence of the CT state's internal quantum efficiency at low photon energies. This process is demonstrated in a variety of systems and it is hypothesized that CT state to polaron energy transfer recombination may be responsible for a share of nonradiative recombination in all organic photovoltaics and can explain numerous experimentally observed device trends regarding photocurrent generation and energy losses. Overall, this work enhances the understanding of photophysical processes in organic materials and allows the design of systems that can avoid this recombination pathway.

14 SOLAR ENERGY↗