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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

New Particle Formation and Growth Dynamics for α-Pinene Ozonolysis in a Smog Chamber and Implications for Ambient Environments

Secondary organic aerosol (SOA) plays an important role in the Earth’s energy balance and air quality. Understanding the formation of SOA accompanying the oxidation of volatile organic compounds (VOCs) remains incomplete because of the complex reactions and partitioning mechanisms. In this study, we investigated new particle formation (NPF) of SOA derived from α-pinene ozonolysis in the Harvard Environmental Chamber using the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) with the condensing species as two products, one of lower volatility (LVOC, 0.01 μg m –3 ) and one of higher volatility (SVOC, 1.0 μg m –3 ). A module for the classical nucleation theory was included. The surface tension (σ), bulk diffusivity (D b ), and mass accommodation coefficient (α) were varied until convergence between the simulated and observed particle number size distributions. α of LVOC was constrained as 0.03–0.1 with the reported σ of α-pinene-ozonolysis-derived SOA and Tolman surface correction (~23.0–27.5 mN m –1 ) and Db from 10 –15.5 to >10 –11 cm 2 s –1 . The observed particle number size distribution of α-pinene ozonolysis was well-simulated to derive the physical parameters, including σ, Db, and α, suggesting the possible application to group the reported complex oxidation products and further application for other atmospheric-related oxidations for quantifying NPF.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1972

Critical levitation loci for spheres on cryogenic fluids.

The conditions which allow a fluid to support a sphere having a higher specific gravity than its own are investigated. Three basic parameters which together define the maximum floating conditions are considered, including the Bond number, the wetting angle of the interface, and the ratio of solid-liquid specific gravities. The Bond number represents the ratio of buoyancy to surface tension forces. An analysis of the forces at the sphere-liquid interface is conducted to determine the optimum levitation loci, that is, the conditions permitting flotation of a maximum density sphere. Data for glycerine, carbon tetrachloride, and water spheres floating on a liquid nitrogen surface appear to be in good agreement with the analysis. Data for Teflon spheres on water also appear to be in agreement with the analytical results.

Hendricks, R. C.↗
NASA NTRS1975

Analysis of Skylab IV fluid mechanic science demonstration

Several science demonstrations performed on Skylab III and IV were concerned with the behavior of fluid drops free floating in microgravity. These demonstrations, with large liquid drops, included the oscillation, rotation, impact and coalescence, and air injection into the drops. Rayleigh's analysis of the oscillation of spherical drops of a liquid predicts accurately the effect of size and surface tension on the frequency of vibrated water globules in the Skylab demonstration. However, damping occurred much faster than predicted by Lamb's or Scriven's analyses of the damping time for spherical drops. The impact demonstrations indicated that a minimum velocity is necessary to overcome surface forces and effect a coalescence, but a precise criterion for the coalescence of liquids in low g could not be determined.

Klett, M. G.↗
NASA NTRS2013

Advancements in Spacecraft Brine Water Recovery: Development of a Radial Vaned Capillary Drying Tray

Technology improvements in the recovery of water from brine are critical to establishing closedloop water recovery systems, enabling long duration missions, and achieving a sustained human presence in space. A genre of 'in-place drying' brine water recovery concepts, collectively referred to herein as Brine Residual In-Containment (BRIC), are under development which aim to increase the overall robustness and reliability of the brine recovery process by performing drying inside the container used for final disposal of the solid residual waste. Implementation of in-place drying techniques have been demonstrated for applications where gravity is present and phase separation occurs naturally by buoyancy induced effects. In this work, a microgravity compatible analogue of the gravity-driven phase separation process is considered by exploiting capillarity in the form of surface wetting, surface tension, and container geometry. The proposed design consists of a series of planar radial vanes aligned about a central slotted core. Preliminary testing of the fundamental geometry in a reduced gravity environment has shown the device to spontaneously fill and saturate rapidly creating a free surface from which evaporation and phase separation can occur similar to a 1-g like 'cylindrical pool' of fluid. Mathematical modeling and analysis of the design suggest predictable rates of filling and stability of fluid containment as a function of relevant system dimensions, e.g., number of vanes, vane length, width, and thickness. A description of the proposed capillary design solution is presented along with preliminary results from testing, modeling and analysis of the system.

Callahan, Michael R.↗
NASA NTRS2014

Advances in Spacecraft Brine Water Recovery: Development of a Radial Vaned Capillary Drying Tray

Technology improvements in the recovery of water from brine are critical to establishing closed-loop water recovery systems, enabling long-duration missions, and achieving a sustained human presence in space. A genre of 'in-place drying' brine water recovery concepts, collectively referred to herein as Brine Residual In-Containment, are under development. These brine water recovery concepts aim to increase the overall robustness and reliability of the brine recovery process by performing drying inside the container used for final disposal of the solid residual waste. Implementation of in-place drying techniques have been demonstrated for applications where gravity is present and phase separation occurs naturally by buoyancy-induced effects. In this work, a microgravity-compatible analogue of the gravity-driven phase separation process is considered by exploiting capillarity in the form of surface wetting, surface tension, and container geometry. The proposed design consists of a series of planar radial vanes aligned about a central slotted core. Preliminary testing of the fundamental geometry in a reduced gravity environment has shown the device to spontaneously fill and saturate rapidly, thereby creating a free surface from which evaporation and phase separation can occur similar to a terrestrial-like 'cylindrical pool' of fluid. Mathematical modeling and analysis of the design suggest predictable rates of filling and stability of fluid containment as a function of relevant system dimensions; e.g., number of vanes, vane length, width, and thickness. A description of the proposed capillary design solution is presented along with preliminary results from testing, modeling, and analysis of the system.

Callahan, Michael R.↗
NASA NTRS1999

The Thin Oil Film Equation

A thin film of oil on a surface responds primarily to the wall shear stress generated on that surface by a three-dimensional flow. The oil film is also subject to wall pressure gradients, surface tension effects and gravity. The partial differential equation governing the oil film flow is shown to be related to Burgers' equation. Analytical and numerical methods for solving the thin oil film equation are presented. A direct numerical solver is developed where the wall shear stress variation on the surface is known and which solves for the oil film thickness spatial and time variation on the surface. An inverse numerical solver is also developed where the oil film thickness spatial variation over the surface at two discrete times is known and which solves for the wall shear stress variation over the test surface. A One-Time-Level inverse solver is also demonstrated. The inverse numerical solver provides a mathematically rigorous basis for an improved form of a wall shear stress instrument suitable for application to complex three-dimensional flows. To demonstrate the complexity of flows for which these oil film methods are now suitable, extensive examination is accomplished for these analytical and numerical methods as applied to a thin oil film in the vicinity of a three-dimensional saddle of separation.

Brown, James L.↗
DOE OSTI2020

Geometry and dynamics of lipid membranes: The Scriven-Love number

The equations governing lipid membrane dynamics in planar, spherical, and cylindrical geometries are presented here. Unperturbed and first-order perturbed equations are determined and nondimensionalized. In membrane systems with a nonzero base flow, perturbed in-plane and out-of-plane quantities are found to vary over different length scales. Here, a new dimensionless number, named the Scriven-Love number, and the well-known Föppl–von Kármán number result from a scaling analysis. The Scriven-Love number compares out-of-plane forces arising from the in-plane, intramembrane viscous stresses to the familiar elastic bending forces, while the Föppl–von Kármán number compares tension to bending forces. Both numbers are calculated in past experimental works, and span a wide range of values in various biological processes across different geometries. In situations with large Scriven-Love and Föppl–von Kármán numbers, the dynamical response of a perturbed membrane is dominated by out-of-plane viscous and surface tension forces—with bending forces playing a negligible role. Calculations of non-negligible Scriven-Love numbers in various biological processes and in vitro experiments show in-plane intramembrane viscous flows cannot generally be ignored when analyzing lipid membrane behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Free-Surface and Contact Line Motion of Liquid in Microgravity

This project involves fundamental studies of the role of nonlinearity in determining the motion of liquid masses under the principal influences of surface tension, viscosity and inertia. Issues to be explored are relevant to aspects of terrestrial processes, as well as being immediately applicable to fluid management in a low-gravity environment. Specific issues include: (1) the mechanic's of liquid masses in large-amplitude motions, (2) the influence of bounding surfaces on the motion, and (3) the ability of such surfaces to control liquid motion by wetting forces, especially when they are augmented by various surface treatments. Mathematical techniques include asymptotic analysis of the governing equations, for problem simplification, and numerical simulation, using both boundary-element and finite-difference methods. The flow problem is divided into an 'outer' or inviscid potential-flow region and one or more inner, or viscous dominated, regions. Relevant to one inner region, the vicinity of the contact line, we discuss time-dependent simulation of slow droplet motion, on a surface of variable wettability, using the lubrication approximation. The simulation uses a disjoining pressure model and reproduces realistic wetting-dewetting behavior.

Schwartz, Leonard W.↗
DOE OSTI2021

Investigation of Nucleation and Growth at a Liquid–Liquid Interface by Solvent Exchange and Synchrotron Small-Angle X-Ray Scattering

Hybrid nanomaterials possess complex architectures that are driven by a self-assembly process between an inorganic element and an organic ligand. The properties of these materials can often be tuned by organic ligand variation, or by swapping the inorganic element. This enables the flexible fabrication of tailored hybrid materials with a rich variety of properties for technological applications. Liquid-liquid interfaces are useful for synthesizing these compounds as precursors can be segregated and allowed to interact only at the interface. Although procedurally straightforward, this is a complex reaction in an environment that is not easy to probe. Here, we explore the interfacial crystallization of mithrene, a supramolecular multi-quantum well. This material sandwiches a well-defined silver-chalcogenide layer between layers of organic ligands. Controlling mithrene crystal size and morphology to be useful for applications requires understanding details of its crystal growth, but the specific mechanism for this reaction remain only lightly investigated. We performed a study of mithrene crystallization at an oil-water interfaces to elucidate how the interfacial free energy affects nucleation and growth. We exchanged the oil solvent on the basis of solvent viscosity and surface tension, modifying the dynamic contact angle and interfacial free energy. We isolated and characterized the reaction byproducts via scanning electron microscopy (SEM). We also developed a high-throughput small angle X-ray scattering (SAXS) technique to measure crystallization at short reaction timescales (minutes). Our results showed that modifying interfacial surface energy affects both the reaction kinetics and product size homogeneity and yield. Our SAXS measurements reveal the onset of crystallinity after only 15 min. These results provide a template for exploring directed synthesis of complex materials via experimental methods.

Schriber, Elyse A.↗
NASA NTRS1996

Spray Combustion Modeling with VOF and Finite-Rate Chemistry

A spray atomization and combustion model is developed based on the volume-of-fluid (VOF) transport equation with finite-rate chemistry model. The gas-liquid interface mass, momentum and energy conservation laws are modeled by continuum surface force mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed range flows. The objectives of the present study are: (1) to develop and verify the fractional volume-of-fluid (VOF) cell partitioning approach into a predictor-corrector algorithm to deal with multiphase (gas-liquid) free surface flow problems; (2) to implement the developed unified algorithm in a general purpose computational fluid dynamics (CFD) code, Finite Difference Navier-Stokes (FDNS), with droplet dynamics and finite-rate chemistry models; and (3) to demonstrate the effectiveness of the present approach by simulating benchmark problems of jet breakup/spray atomization and combustion. Modeling multiphase fluid flows poses a significant challenge because a required boundary must be applied to a transient, irregular surface that is discontinuous, and the flow regimes considered can range from incompressible to highspeed compressible flows. The flow-process modeling is further complicated by surface tension, interfacial heat and mass transfer, spray formation and turbulence, and their interactions. The major contribution of the present method is to combine the novel feature of the Volume of Fluid (VOF) method and the Eulerian/Lagrangian method into a unified algorithm for efficient noniterative, time-accurate calculations of multiphase free surface flows valid at all speeds. The proposed method reformulated the VOF equation to strongly couple two distinct phases (liquid and gas), and tracks droplets on a Lagrangian frame when spray model is required, using a unified predictor-corrector technique to account for the non-linear linkages through the convective contributions of VOF. The discontinuities within the sharp interface will be modeled as a volume force to avoid stiffness. Formations of droplets, tracking of droplet dynamics and modeling of the droplet breakup/evaporation, are handled through the same unified predictor-corrector procedure. Thus the new algorithm is non-iterative and is flexible for general geometries with arbitrarily complex topology in free surfaces. The FDNS finite-difference Navier-Stokes code is employed as the baseline of the current development. Benchmark test cases of shear coaxial LOX/H2 liquid jet with atomization/combustion and impinging jet test cases are investigated in the present work. Preliminary data comparisons show good qualitative agreement between data and the present analysis. It is indicative from these results that the present method has great potential to become a general engineering design analysis and diagnostics tool for problems involving spray combustion.

Chen, Yen-Sen↗
DOE OSTI2022

Consequences of Intrapore Liquids on Reactivity, Selectivity, and Stability for Aldol Condensation Reactions on Anatase TiO 2 Catalysts

Abstract This study provides evidence and mechanistic interpretations for the significant consequences of intrapore non‐polar liquids on acetone aldol condensation turnover rates, selectivity to primary dimer products, and catalyst stability for reactions at Lewis acid‐base site pairs on TiO 2 surfaces. These non‐polar liquids confer such benefits through the preferential stabilization of transition states (TS) for adsorption (“entry”) and desorption (“exit”) steps, which place their respective reactants or products within a solvating outer sphere environment. The extent to which non‐polar fluids ( n ‐heptane) form an intrapore liquid phase within TiO 2 voids was obtained from N 2 uptakes using established formalisms that consider the different molal volume, surface tension, and volatility between N 2 and n ‐heptane. Acetone condensation rates are limited by C−H activation, an “entry” step that forms bound prop‐1‐en‐2‐olates via a TS stabilized by intrapore liquids, leading to higher aldol condensation turnover rates as n ‐heptane pressure increases and active TiO 2 surfaces become increasingly immersed within a non‐polar liquid phase. These liquids solvate the late TS structures that mediate the desorption of primary C 6 condensation products even more effectively than those involved in prop‐1‐en‐2‐olate formation or in nucleophilic attack events that later form C−C bonds. Such preferential solvation favors desorption over C−C coupling events, thus disfavoring the formation of larger oligomers that become stranded at active sites, thus leading to much slower deactivation. Moreover, solvation by non‐polar liquids also leads to C 6 alkanones as the sole products formed in a single surface sojourn. These effects of a non‐polar dense phase circumvent the inherent stability, reactivity, and selectivity hurdles that have precluded practical aldol condensation catalysis on Lewis acid‐base pairs at oxide surfaces; these consequences are demonstrated here for TiO 2 catalysts, acetone aldol condensation reactions, and n ‐heptane as the non‐polar liquid but through strategies, concepts, and mechanistic features that extend to other systems. More generally, these observations and their mechanistic origins demonstrate how a contacting liquid preferentially solvates TS structures for elementary steps that involve either reactants arriving from or products entering into an outer sphere environment that contains a dense non‐polar phase.

Kadam, Shashikant A.↗
DOE OSTI2020

Effect of changes of physical properties on CO2 capture solvents on its absorption rate

Concern over greenhouse gas emissions, such as CO2 from fossil fuel combustion, is leading to new regulations on fossil-fuel fired power generation facilities. Using amine-based solutions for CO2 capture in power plants is the most common method utilized industrially and studied in the laboratory environment. However, a limited number of amines are available for carbon capture research after balancing the capital cost and energy penalty. In the carbon capture process, physical properties such as viscosity, surface tension, wettability, etc. are found to play important roles in solvent performance. In this context, we are exploring an approach to enhance the CO2 capture of amine solvents by tuning the physical properties of the amine solvents by the addition of additives. These additives in the amine solution utilize controlled bubble generation to increase liquid-gas contact surface area. This method can increase mass transfer in the absorber column, specifically at the bottom where the mass transfer is limited. These additives can enhance the CO2 capture efficiency by changing the physical property of the solvent which in turn can lower the capital cost associated with the system. This work can be applied to all common aqueous amine solvent and would be of great interest to those in the CCS community.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1995

The VOrtex Ring Transit EXperiment (VORTEX) GAS project

Get Away Special (GAS) payload G-093, also called VORTEX (VOrtex Ring Transit EXperiment), is an investigation of the propagation of a vortex ring through a liquid-gas interface in microgravity. This process results in the formation of one or more liquid droplets similar to earth based liquid atomization systems. In the absence of gravity, surface tension effects dominate the drop formation process. The Shuttle's microgravity environment allows the study of the same fluid atomization processes as using a larger drop size than is possible on Earth. This enables detailed experimental studies of the complex flow processes encountered in liquid atomization systems. With VORTEX, deformations in both the vortex ring and the fluid surface will be measured closely for the first time in a parameters range that accurately resembles liquid atomization. The experimental apparatus will record images of the interactions for analysis after the payload has been returned to earth. The current design of the VORTEX payload consists of a fluid test cell with a vortex ring generator, digital imaging system, laser illumination system, computer based controller, batteries for payload power, and an array of housekeeping and payload monitoring sensors. It is a self-contained experiment and will be flown on board the Space Shuttle in a 5 cubic feet GAS canister. The VORTEX Project is entirely run by students at the University of Michigan but is overseen by a faculty advisor acting as the payload customer and the contact person with NASA. This paper summarizes both the technical and programmatic aspects of the VORTEX Project.

Bilen, Sven G.↗
NASA NTRS2005

The Influence of Dynamic Contact Angle on Wetting Dynamics

When surface tension forces dominate, and regardless of whether the situation is static or dynamic, the contact angle (the angle the interface between two immiscible fluids makes when it contacts a solid) is the key parameter that determines the shape of a fluid-fluid interface. The static contact angle is easy to measure and implement in models predicting static capillary surface shapes and such associated quantities as pressure drops. By contrast, when the interface moves relative to the solid (as in dynamic wetting processes) the dynamic contact angle is not identified unambiguously because it depends on the geometry of the system Consequently, its determination becomes problematic and measurements in one geometry cannot be applied in another for prediction purposes. However, knowing how to measure and use the dynamic contact angle is crucial to determine such dynamics as a microsystem throughput reliably. In this talk we will present experimental and analytical efforts aimed at resolving modeling issues present in dynamic wetting. We will review experiments that show the inadequacy of the usual hydrodynamic model when a fluid-fluid meniscus moves over a solid surface such as the wall of a small tube or duct. We will then present analytical results that show how to parametrize these problems in a predictive manner. We will illustrate these ideas by showing how to implement the method in numerical fluid mechanical calculations.

Rame, Enrique↗
NASA NTRS2002

Solutocapillary Convection in the Float-Zone Process with a Strong Magnetic Field

This paper treats the axisymmetric flow and mass transport in a cylindrical liquid bridge between the melting end of a feed rod and the solidifying end of an alloyed semiconductor crystal. There is a strong, uniform, steady, axial magnetic field. The surface tension depends on the temperature and the concentration of the species, while variations of the concentration occur because one species is rejected into the liquid during solidification. The thermocapillary and solutocapillary convections tend to cancel- over part of the liquid bridge. For certain parameter ranges, there are two different stable steady solutions: one where the concentration gradient along the free surface leads to dominance by the solutocapillary convection and one where the mass transport due to the thermocapillary convection makes the concentration gradient along the free surface small, so that the thermocapillary convection is dominant.

Walker, J. S.↗
DOE OSTI2026

Two-phase flow numerical analysis of electrode geometry for alkaline water electrolyzers

Hydrogen is a promising component of a future energy-secure and efficient economy, but its competitiveness depends on reducing production costs. One strategy is to operate alkaline water electrolyzers at higher current densities to increase output. However, this intensifies performance losses due to gas bubble accumulation, which blocks transport pathways and deactivates electrochemically active surfaces. Enhancing bubble evacuation through electrode design is therefore essential. Previous studies have explored various approaches — such as modifying surface morphology, applying sonication or pressure modulation, and introducing surfactants — but these efforts have addressed a limited range of conditions due to the complexity of two-phase flow and electrode geometries. Experiments have also largely been focused on either cell level improvements, which lack the information necessary to isolate each contributing factor, or on modified geometries that are not relevant to practical cell operation. From a modeling perspective, conventional Eulerian multiphase models do not track the complex gas–liquid interfacial dynamics and often neglect surface tension and contact angle effects, reducing their predictive accuracy. To provide insights on the effects of different electrode geometries on the performance of alklaine water electrolyzers this work employs an immersed boundary volume-of-fluid method to simulate bubble behavior in 3D porous electrodes. Multiple base electrode geometries, typically used in practice, with varying porosity are evaluated under a constant surface gas generation rate. Simulation data is analyzed to quantify electrode gas coverage, bubble size dynamics and other relevant metrics. Results show that porosity strongly influences bubble accumulation on electrode surfaces, with higher porosity reducing gas coverage, and its not strictly dependent on the electrode geometry. However, the electrode’s base geometry significantly affects gas accumulation at the separator gap, independent of porosity. A foam electrode geometry resulted in the lowest gas coverage of all electrodes with a median volumetric gas coverage of 11%, but at the cost of a 70% reduction in active area compared with the largest surface area electrode, while gyroid electrodes showed the best trade-off between gas coverage, particularly at the separator surface, and electrochemically active area. In conclusion, the results highlight the need for holistic electrode design strategies.

Alkaline↗
DOE OSTI2020

Editors’ Choice—Flooded by Success: On the Role of Electrode Wettability in CO 2 Electrolyzers that Generate Liquid Products

Economic operation of carbon dioxide (CO 2 ) electrolyzers generating liquid products will likely require high reactant conversions and product concentrations, conditions anticipated to challenge existing gas diffusion electrodes (GDEs). Notably, electrode wettability will increase as lower surface tension products (e.g., formic acid, alcohols) are introduced into electrolyte streams, potentially leading to flooding. To understand the hydraulically stable operating envelopes in mixed aqueous-organic liquid domains, we connect intrinsic electrode wettability descriptors to operating parameters such as electrolyte flow rate and current. We first measure contact angles of water-organic product dilutions on polytetrafluoroethylene (PTFE) and graphite surfaces as planar analogues for GDE components. We then use material balances around the reactive gas-liquid-solid interface to calculate product mass fractions as functions of water sweep rate and current. Product composition maps visualize the extent to which changes in cell performance influence capillary pressure, a determinant of GDE saturation. Analyses suggest that formic acid mixtures pose little risk for GDE flooding across a wide range of conditions, but effluents containing <30% alcohol by mass may cause flooding. This study reveals opportunities to integrate microstructural features and oleophobic surface treatments into GDEs to repel aqueous-organic mixtures and expand the window of stable operating conditions.

25 ENERGY STORAGE↗
NASA NTRS1986

The effect of fluid flow due to the crystal-melt density change on the growth of a parabolic isothermal dendrite

The Ivantsov (1947) analysis of an isolated isothermal dendrite (with zero surface tension) growing into a supercooled liquid is extended to include the effects of the fluid flow due to volume contraction or expansion upon solidification. For an axisymmetric paraboloidal dendrite, an analytic solution to the Navier-Stokes equations is obtained. The magnitude of the flow is proportional to the relative density change epsilon, and the flow becomes negligible far from the surface of the dendrite. The temperature field consistent with this flow can also be found explicitly. The well-known expression that relates the dimensionless supercooling to the Peclet number in the absence of fluid flow is modified for nonzero epsilon, but the effect is of order epsilon and hence is seen to be minor for most values of epsilon and dimensionless supercooling that occur in practice.

Mcfadden, G. B.↗