Controlling the Dynamic Behavior of Microposts in Solution via Diffusion–Convection
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Chemistry↗
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Results for “diffusion behavior”
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Ignition and Behavior of Laminar Gas-Jet Diffusion Flames in Microgravity
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Bahadori, M. Yousef↗
The peculiar behaviour of the 5780 and 5797 DIBs in HD25137
The interstellar environment close to the high latitude molecular cloud Lynds 1569 (L1569, Lynds 1962), also known as MBM 18 (Magnani, Blitz and Mundy, 1985), has been analyzed by Penrase et al. (1990) and Penrase (1993). Their observations of the CH, CH(sup+), and CN molecular features, are consistent with a region having a high molecular and reduced dust content. They also observed the background star HD 24263- located 8 degrees far from the center of L1569 - reporting a CH rich line of sight and the presence of two intervening clouds from a sodium lines spectra. The infrared excess which has been revealed by the IRAS survey at 12 microns might suggest the presence of PAH's molecules, the well know candidate for the Unidentified Infrared Bands and Diffuse Interstellar Bands. This interesting scenario led to the investigation of the behavior of the diffuse interstellar bands toward HD 25137, which is supposed to be a background object for L1569 (Penrase et al., 1990); as well as the field star HD 24263. As part of a wider observational program devoted to study the HLC's special environments, the observations of the diffuse interstellar bands (DIB's) at 5780 and 5797 lambda lambda in the direction of the two above mentioned stars, HD 24263 and HD 25137 are presented here.
Porceddu, Ignazio↗
Pseudocapacitive Charge Storage in Electrochromic Transition-Metal Oxide Thin Films
Electrochromic pseudocapacitive transition-metal oxide materials, such as tungsten oxide, which combine fast response, high energy density, and optical effects, can play a significant role as energy storage materials. Here we investigate the electrochemical kinetics of thin films of tungsten oxide, which turn transparent to sky-blue color in the lithiated state due to the reduction of W 6+ to W 5+ . In this study, we investigated the charge density, charge transfer, ion diffusion, and interfacial behavior upon Li + insertion/de-insertion in WO 3 . The electrochromic thin film's pseudocapacitive and electrical double layer mechanism was differentiated based on the power-law. Faradaic diffusion-controlled process dominates over the surface capacitive behavior at scan rates below 40 mV s –1 . These films exhibit an areal charge density of around 100 mC cm –2 and a capacitance of 80 mF cm –2 , superior to most comparable electrochromic materials and supercapacitors. This work combines electrochromics and energy storage properties and provides a fundamental understanding of pseudocapacitive and electrochromic mechanisms in WO 3 .
25 ENERGY STORAGE↗
Edge-Flames in Von Karman Swirling Flows
Classical understanding of diffusion flames dictates that they, unlike the premixed flames, do not possess a characteristic propagation velocity and are constrained by stoichiometric requirements at the flame surface. However, it has been commonly observed that when local extinction occurs within a diffusion flame sheet, the edges that are formed propagate with distinct speeds. In general, the propagation speed of these edges depend on their geometrical shape (concave, convex, or straight) among other factors. Recently, Buckmaster investigated the dynamics of straight diffusion flame edges separating burning and quenched regions using simplified one-dimensional models. He showed that these flame edges can have positive, negative, or zero velocity depending on the Damkoehler number of the equilibrium diffusion flame that support them. It was also shown that this unsteady flame-edge behavior is intrinsically linked to S-curve behavior of the diffusion flame with varying Damkoehler number. When the system Damkoehler number lies between the extinction and ignition limits, flame edges can propagate as an "ignition wave" or as a "failure wave," and for a critical Damkoehler number remain as a stationary flame-edge. We have extend Buckmaster's 1-d model to more general edge-flame configurations where the edges appear as "flame holes" or as "flame disks". These two configurations along with the straight-edge case cover the entire range of possible edge-flame geometry observable in planar diffusion-flame sheets. A generalized map of edge-flame propagation velocities as a function of the system Damkoehler number and the edge-flame radius is presented. Experimentally we show that edge flames can be created using diffusion flames embedded in von Karman boundary layers. In a von Karman boundary layer, the flow is generated by spinning a solid (fuel) disk in a quiescent ambient gas. Under normal gravity we were able to produce "flame disks" over a range of fuel-disk rotational velocities varying from 0 to 20 revolutions per second, by orienting the burning surface of the fuel disk facing downward.
Nayagam, Vedha↗
Amorphization of Pseudocapacitive T−Nb 2 O 5 Accelerates Lithium Diffusivity as Revealed Using Tunable Isomorphic Architectures
Abstract Intercalation pseudocapacitance can combine capacitor‐like power densities with battery‐like energy densities. Such surface‐limited behavior requires rapid diffusion where amorphization can increase solid‐state diffusivity. Here intercalation pseudocapacitive materials with tailored extents of amorphization in T‐Nb 2 O 5 are first reported. Amorphization was characterized with WAXS, XPS, XAFS, and EPR which suggested a peroxide‐rich (O 2 2− ) surface that was consistent with DFT predictions. A series of tunable isomorphic architectures enabled comparisons while independently varying transport parameters. Through process of elimination, solid‐state lithium diffusion was identified as the dominant diffusive‐constraint dictating the maximum voltage sweep rate for surface‐limited kinetics ( v SLT ), termed the Surface‐Limited Threshold (SLT). The v SLT increased with amorphization however stable cycling required crystalline T‐Nb 2 O 5 . A current‐response model using series‐impedances well‐matched these observations. This perspective revealed that amorphization of T‐Nb 2 O 5 enhanced solid‐state diffusion by 12.2 % and increased surface‐limitations by 17.0 % (stable samples). This approach enabled retaining 95 % lithiation capacity at ∼800 mV s −1 (1,600 C‐rate equivalent).
25 ENERGY STORAGE↗
Convective Instability of a Gravity Modulated Fluid Layer with Surface Tension Variation
Gravity modulation of an unbounded fluid layer with surface tension variations along its free surface is investigated. In parameter space of (wavenumber, Marangoni number) modulation has a destabilizing effect on the unmodulated neutral stability curve for large Prandtl number, Pr, and small modulation frequency, Omega, while a stabilizing effect is observed for small Pr and large Omega. As Omega yields infinity, the modulated neutral stability curves approach the unmodulated neutral stability curve. At certain values of Pr and L2 multiple minima are observed and the neutral stability curves become highly distorted. Closed regions of subharmonic instability are also observed. Alternating regions of synchronous and subharmonic instability separated by very thin stable regions are observed in (1/Omega,g(sub 1)) space for the singly diffusive cases. Quasiperiodic behavior in addition to the synchronous and subharmonic responses, are observed for the case of a double diffusive fluid layer. Minimum acceleration amplitudes were observed to closely correspond with a subharmonic response, Lambda(sub im) = Omega/2 .
Skarda, J. Raymond Lee↗
Emergent facilitation and glassy dynamics in supercooled liquids
In supercooled liquids, dynamical facilitation refers to a phenomenon where microscopic motion begets further motion nearby, resulting in spatially heterogeneous dynamics. This is central to the glassy relaxation dynamics of such liquids, which show super-Arrhenius growth of relaxation timescales with decreasing temperature. Despite the importance of dynamical facilitation, there is no theoretical understanding of how facilitation emerges and impacts relaxation dynamics. Here, we present a theory that explains the microscopic origins of dynamical facilitation. We show that dynamics proceeds by localized bond-exchange events, also known as excitations, resulting in the accumulation of elastic stresses with which new excitations can interact. At low temperatures, these elastic interactions dominate and facilitate the creation of new excitations near prior excitations. Using the theory of linear elasticity and Markov processes, we simulate a model, which reproduces multiple aspects of glassy dynamics observed in experiments and molecular simulations, including the stretched exponential decay of relaxation functions, the super-Arrhenius behavior of relaxation timescales as well as their two-dimensional finite-size effects. The model also predicts the subdiffusive behavior of the mean squared displacement (MSD) on short, intermediate timescales. Furthermore, we derive the phonon contributions to diffusion and relaxation, which when combined with the excitation contributions produce the two-step relaxation processes, and the ballistic–subdiffusive–diffusive crossover MSD behaviors commonly found in supercooled liquids.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Co-transport of water and p-xylene through carbon molecular sieve membranes
Carbon molecular sieve (CMS) materials are a potential candidate for scalable and high-performance reverse osmosis membranes due to their impressive chemical and thermal stabilities. Moreover, they have the potential to enable impressive rejections of small neutral solutes from water based on their known ability to separate small organic molecules. CMS has been extensively examined for gas and organic solvent separations, but the transport of organic and aqueous mixtures through CMS microstructures is poorly understood. In this work, we investigated the sorption, diffusion, and permeation behavior of organic compounds and water in poly(vinylidene fluoride)(PVDF)-derived CMS (PVDF-CMS). Experimental observations of diffusion, sorption, and permeation shows how the properties of penetrants such as polarity and molecular size affect the transport rates and selectivity. These basic transport and sorption parameters are utilized in sorption-diffusion models to permeation rates of water-organic mixtures in CMS membranes. The transport of water and p-xylene in CMS was experimentally confirmed to follow the sorption-diffusion mechanism. The sorption-diffusion model ideal permselectivity indicates that the CMS is p-xylene selective over water. Water/p-xylene mixture permeation experiments revealed an increased selectivity of p-xylene over water, thus providing tentative evidence for a competitive sorption-selective separation mechanism. Furthermore, this work suggests that CMS membranes exhibit organic-permeable separation properties in water/organic separations. The results presented here highlight the potential for the removal of dilute organics in water via CMS pervaporation membranes.
02 PETROLEUM↗
Optical characterizations of densely doped Tm 3+ :KYW crystals at low temperatures
Abstract We investigate the optical lifetime, decay characteristics, spectral linewidth and energy level properties of thulium ions doped in a KY(WO 4 ) 2 crystal at 4 K temperature. High doping concentration of thulium ions with inhomogeneous broadening allow us to study nonradiative behaviors, instantaneous spectral diffusion, and spectral power broadening in this solid-state material. The theoretical consideration of ion–ion interactions is shown to accurately characterize the absorption, decay and other spectral behaviors of Tm 3 + ions. We observe more than ten-fold reduction in the decay time of 3 H 4 state and about three-fold reduction in the spectral-hole lifetime as we approach the center of the inhomogeneous broadening, corresponding to higher optical densities.
Lei, Yisheng (ORCID:0009000410141189)↗
Simulating policy interventions in the interfirm diffusion of low-carbon technologies: An agent-based evolutionary game model
Policy interventions are frequently used by authorities around the world to mitigate carbon emissions. However, economic systems are essentially complex adaptive systems, which often exhibit unexpected responses to exogenous interventions and leave intervenors in a dilemma, even if the interventions are elaborately designed. To explore the behaviors of the diffusion system regarding low-carbon technologies, this study builds an agent-based model (ABM) to simulate enterprises' reactions to multiple policy interventions aimed at spurring low-carbon technology diffusion. The simulated enterprises are in a complex network where they play evolutionary games with their neighbors, which enables the model to possess two critical features of economic systems: adaptiveness and equilibrium. The model reveals a dilemma of policy interventions: intuitively, carbon taxes, asymmetric penalties (only imposed on un-low-carbon enterprises) and subsidies can improve the diffusion, which is consistent with previous research; counter-intuitively, all these policies turn out to be inefficient or even harmful to low-carbon enterprises because of the diffusion system's high adaptiveness. Specifically, when carbon taxes and penalties increase, both the low-carbon and un-low-carbon enterprises end up with the equilibrium of equivalent but lower profits. In contrast, all the enterprises earn equivalent but more profits even though subsidies are only given to the low-carbon enterprises, which implies that the un-low-carbon enterprises (indirectly) grab a portion of the subsidies and accordingly weaken the incentive effect of subsidies. These system behaviors are summarized as "equalizing effect" because the system tends to equalize the impact of both positive and negative interventions among all enterprises even though the policy interventions are asymmetrically imposed on one type of the enterprises. The findings also indicate that policies implemented to enlarge green market sizes can help policymakers bypass the dilemma.
Agent-based modeling↗
An investigation of the solar zenith angle variation of D-region ionization
Model calculations are carried out with a view to interpreting the solar zenith angle variation of D-region ionization. A model is developed for the neutral chemistry including the transport terms relating to molecular and eddy diffusion. The diurnal behavior is described of the minor neutral constituents formed in an oxygen-hydrogen-nitrogen atmosphere, in the height interval between 30 and 120 km. Computations carried out for two cases of the eddy diffusion coefficients models indicate that the constituents which are important for the D-region positive-ion chemistry do not show a significant variation with zenith angle for values up to 75 deg over the D-region heights. In the ion chemistry model, ion-pair production rates are calculated for solar X-rays between 1 A and 100 A, EUV radiations from 100 A up to the Lyman-alpha line, precipitating electrons, and galactic cosmic rays. The solar zenith angle variation of the positive-ion composition, negative-ion composition, and the electron densities are described up to 75 deg zenith angle, in the height interval between 60 and 100 km.
Ratnasiri, P. A. J.↗
Coupled heat pulse propagation in two-fluid plasmas
Because of the large mass differences between electrons and ions, the heat diffusion in electron-ion plasmas exhibits more complex behavior than simple heat diffusion found in typical gas mixtures. In particular, heat is diffused in two distinct, but coupled, channels. Conventional single fluid models neglect the resulting complexity, and can often inaccurately interpret the results of heat pulse experiments. However, by recognizing the sensitivity of the electron temperature evolution to the ion diffusivity, not only can previous experiments be interpreted correctly, but informative simultaneous measurements can be made of both ion and electron heat channels.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Buoyancy Effects in Strongly-pulsed, Turbulent Diffusion Flames
The objective of this experiment is to better understand the combustion behavior of pulsed, turbulent diffusion flames by conducting experiments in microgravity. The fuel jet is fully-modulated (i.e., completely shut off between pulses) by an externally controlled valve system leading to enhanced fuel/air mixing compared to acoustically excited or partially-modulated jets. Experiments are conducted both in laboratories at UW and WPI and in the GRC 2.2s Drop Tower. A single fuel nozzle with diameter d = 2 mm is centered in a combustor 20 x 20 cm in cross section and 67 cm in height. The gaseous fuel flow (ethylene or a 50/50 ethylene/nitrogen mixture by volume) is fully-modulated by a fast-response solenoid valve with injection times from tau = 4 to tau = 300 ms. The nominal Reynolds number based on the fuel velocity during injection, U(sub jet), is 5,000. A slow oxidizer co-flow properly ventilates the flame and an electrically heated wire loop serves as a continuous ignition source. Diagnostic techniques include video imaging, fine-wire thermocouples and thermopile radiometers, and gas sampling and standard emissions instruments (the last in the laboratory only).
Hermanson, J. C.↗
Buoyancy Effects in Strongly-Pulsed, Turbulent Diffusion Flames
The objective of this experiment is to better understand the combustion behavior of pulsed, turbulent diffusion flames by conducting experiments in microgravity. The fuel jet is fully-modulated (i.e., completely shut off between pulses) by an externally controlled valve system leading to enhanced fuel/air mixing compared to acoustically excited or partially-modulated jets. Experiments are conducted both in laboratories at UW and WPI and in the GRC 2.2s Drop Tower. A single fuel nozzle with diameter d = 2 mm is centered in a combustor 20 20 cm in cross section and 67 cm in height. The gaseous fuel flow (ethylene or a 50/50 ethylene/nitrogen mixture by volume) is fully-modulated by a fast-response solenoid valve with injection times from tau = 4 to tau = 300 ms. The nominal Reynolds number based on the fuel velocity during injection, U(sub jet), is 5,000. A slow oxidizer co-flow properly ventilates the flame and an electrically heated wire loop serves as a continuous ignition source. Diagnostic techniques include video imaging, fine-wire thermocouples and thermopile radiometers, and gas sampling and standard emissions instruments (the last in the laboratory only).
Hermanson, J. C.↗
Effect of Gold Catalyst Surface Morphology on Wetting Behavior and Electrochemical CO 2 Reduction Performance in a Large-Area Zero-Gap Gas Diffusion Electrolyzer
We report catalyst surface area and wetting behavior are key factors in determining the performance of gas diffusion electrode (GDE) electrolyzers for electrochemical CO 2 reduction. In this work, we report the integration of sub-1 μm thick nanoporous gold (npAu) catalyst coatings into a large-area (25 cm 2 ) zero-gap electrolyzer. The npAu coatings were prepared by magnetron sputtering (MS) of thin AgAu alloy films on the microporous carbon layer of a gas diffusion layer (GDL) followed by Ag leaching. Compared to MS Au films of the same thickness, npAu catalyst coatings enable higher Faradaic efficiencies and improved catalyst stability for CO 2 -to-CO reduction with Faradaic efficiencies of up to 88% at 100 mA/cm 2 . For a 800 nm npAu coating, the device level energy efficiency for CO 2 to CO conversion reaches 45% (52% for CO + H 2 ) at 100 mA/cm 2 with a single pass CO 2 conversion efficiency of ~12%. Contact angle measurements reveal that npAu coatings provide a more hydrophobic electrode interface compared to MS Au coatings, suggesting that the more hydrophobic interfacial environment of npAu coatings helps mitigating electrode flooding which is associated with performance deterioration over time.
30 DIRECT ENERGY CONVERSION↗
Effects of Mineral Impurities and Heat on Uranium(VI) Sorption onto Bentonite (Final Report)
Most nuclear waste disposal options include compacted bentonite, consisting of montmorillonite clay, as part of a barrier system to minimize contaminant mobility. Uranium (U) is the primary element in spent nuclear fuel, and from an environmental perspective, a potential contaminant of water resources. Furthermore, uranium may control nuclear fuel degradation rates and the consequent release of other radioactive contaminants based on its diffusive transport away from waste canisters. Uranium sorption onto clay and other mineral surfaces is expected to limit U(VI) mobility in these systems. However, at this point a prediction of U(VI) sorption and transport behavior in performance assessment (PA) models is complicated by a series of factors, such as: (1) the presence of various U(VI) solution species with different charges and sorption characteristics; (2) the complex microstructure of montmorillonite clay resulting in two types of clay porosities and multiple sorption sites; (3) the largely unknown effects of bentonite mineral impurities on pore water chemistry, U(VI) sorption and diffusion behavior; and (4) the potential impacts of heat, generated by the decay of spent fuel, on mineralogical and microstructural transformations, and any subsequent effects on radionuclide sorption and mobility. In this project, we investigated the effects of calcite impurities on U(VI) sorption and diffusion onto montmorillonite before and after mineral exposure to heat. Overall, our main goals were to: 1. Gain a mechanistic understanding of the effects of calcite impurities on U(VI) sorption and diffusion in montmorillonite/bentonite at variable chemical conditions, and before and after mineral exposure to heat; and to 2. Work towards the development of new surface complexation and diffusion models to predict U(VI) sorption and mobility in montmorillonite/bentonite while accounting for the impacts of calcite impurities and heat. In order to achieve these goals, we pursued the following research objectives and tasks: 1. Characterize the effects of calcite impurities on U(VI) sorption onto Na-montmorillonite, and evaluate if and how these effects change due to solids’ exposure to heat (Task 1). 2. Characterize U(VI) surface speciation in solid samples from Task 1, with a particular focus on U(VI) precipitates and co-precipitates (Task 2). 3. Test the relevance of observed changes in U(VI) sorption characteristics for U(VI) diffusive transport behavior in bentonite barriers (Task 3). 4. Evaluate the exclusion of anionic U(VI) solution complexes from clay nanopores (Task 4). 5. Building on Tasks 1-4, start the development of new surface complexation and reactive transport models that can simulate and predict U(VI) sorption and diffusion in complex bentonite systems (Task 5). A detailed description of all tasks, and their specific results and conclusions is provided in this report.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Sequential Infiltration Synthesis of Multinary Metal Oxides: The Role of Precursor Diffusion and Reactivity
Understanding volatile metal–organic precursor transport in polymer matrices during sequential infiltration synthesis (SIS) is critical to the design of hybrid materials of tailored composition and uniform structure. Here, we investigate the diffusion and reaction behavior of diethylzinc (DEZ) in poly(methyl methacrylate) (PMMA) matrices with variable indium and zinc incorporation. Unlike conventional SIS where precursors adduct or react directly with the polymer backbone, DEZ shows minimal interaction with PMMA. However, DEZ may interact strongly with In–OH or Zn–OH moieties that are previously incorporated into a PMMA thick film. Using spectroscopic ellipsometry, X-ray photoelectron spectroscopy depth profiling, and EDX line scans, we quantify Zn incorporation as a function of exposure time, polymer thickness, and previous infiltration steps. The Zn distribution evolves from surface-localized to deep within the ∼1 μm thick film with increasing DEZ exposures up to 30 min. A reaction-diffusion model incorporating a hindering factor to capture diffusivity decay due to product accumulation reproduces the Zn depth profile and yields physically meaningful parameters to guide future growth. Furthermore, this study provides a framework for interpreting metal–organic precursor infiltration behavior and highlights the utility of model-guided SIS process design.
diethylzinc↗