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DOE OSTI2016

Metamodeling of Droplet Activation for Global Climate Models

The nucleation of cloud droplets from the ambient aerosol is a critical physical process that must be resolved for global models to faithfully predict aerosol–cloud interactions and aerosol indirect effects on climate. To better represent droplet nucleation from a complex, multimodal, and multicomponent aerosol population within the context of a global model, a new metamodeling framework is applied to derive an efficient and accurate activation parameterization. The framework applies polynomial chaos expansion to a detailed parcel model in order to derive an emulator that maps thermodynamic and aerosol parameters to the supersaturation maximum achieved in an adiabatically ascending parcel and can be used to diagnose droplet number from a single lognormal aerosol mode. The emulator requires much less computational time to build, store, and evaluate than a high-dimensional lookup table. Compared to large sample sets from the detailed parcel model, the relative error in the predicted supersaturation maximum and activated droplet number computed with the best emulator is and (one standard deviation), respectively. On average, the emulators constructed here are as accurate and between 10 and 17 times faster than a leading physically based activation parameterization. Because the underlying parcel model being emulated resolves size-dependent droplet growth factors, the emulator captures kinetic limitations on activation. Furthermore, the results discussed in this work suggest that this metamodeling framework can be extended to accurately account for the detailed activation of a complex aerosol population in an arbitrary coupled global aerosol–climate model.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Broadening of Cloud Droplet Spectra through Eddy Hopping: Turbulent Adiabatic Parcel Simulations

Abstract This paper investigates spectral broadening of droplet size distributions through a mechanism referred to as the eddy hopping. The key idea, suggested a quarter century ago, is that droplets arriving at a given location within a turbulent cloud follow different trajectories and thus experience different growth histories and that this leads to a significant spectral broadening. In this study, the adiabatic parcel model with superdroplets is used to contrast droplet growth with and without turbulence. Turbulence inside the parcel is described by two parameters: (i) the dissipation rate of the turbulent kinetic energy ε and (ii) the linear extent of the parcel L. As expected, an adiabatic parcel without turbulence produces extremely narrow droplet spectra. In the turbulent parcel, a stochastic scheme is used to account for vertical velocity fluctuations that lead to local supersaturation fluctuations for each superdroplet. These fluctuations mimic the impact of droplets hopping turbulent eddies in a natural cloud. For L smaller than a few meters, noticeable spectral broadening is possible only for strong turbulence—say, ε > 100 cm2 s−3. For L typical for grid lengths of large-eddy simulation (LES) models (say, L between 10 and 100 m), the impact is significant even with relatively modest turbulence intensities. The impact increases with both L and ε. The representation of eddy hopping developed in this paper can be included in a straightforward way in the subgrid-scale scheme of a Lagrangian LES cloud model and may lead to a significant acceleration of simulated rain development through collision–coalescence.

Grabowski, Wojciech W.↗

DOE OSTI2013

An interface tracking model for droplet electrocoalescence.

This report describes an Early Career Laboratory Directed Research and Development (LDRD) project to develop an interface tracking model for droplet electrocoalescence. Many fluid-based technologies rely on electrical fields to control the motion of droplets, e.g. microfluidic devices for high-speed droplet sorting, solution separation for chemical detectors, and purification of biodiesel fuel. Precise control over droplets is crucial to these applications. However, electric fields can induce complex and unpredictable fluid dynamics. Recent experiments (Ristenpart et al. 2009) have demonstrated that oppositely charged droplets bounce rather than coalesce in the presence of strong electric fields. A transient aqueous bridge forms between approaching drops prior to pinch-off. This observation applies to many types of fluids, but neither theory nor experiments have been able to offer a satisfactory explanation. Analytic hydrodynamic approximations for interfaces become invalid near coalescence, and therefore detailed numerical simulations are necessary. This is a computationally challenging problem that involves tracking a moving interface and solving complex multi-physics and multi-scale dynamics, which are beyond the capabilities of most state-of-the-art simulations. An interface-tracking model for electro-coalescence can provide a new perspective to a variety of applications in which interfacial physics are coupled with electrodynamics, including electro-osmosis, fabrication of microelectronics, fuel atomization, oil dehydration, nuclear waste reprocessing and solution separation for chemical detectors. We present a conformal decomposition finite element (CDFEM) interface-tracking method for the electrohydrodynamics of two-phase flow to demonstrate electro-coalescence. CDFEM is a sharp interface method that decomposes elements along fluid-fluid boundaries and uses a level set function to represent the interface.

Erickson, Lindsay Crowl↗

DOE OSTI2022

On the combustion of n-butyl acetate droplets

This paper presents an experimental and numerical study of the combustion of isolated n‑butyl acetate droplets in the standard atmosphere. Numerical simulations are reported using a model that incorporates unsteady gas and liquid transport, variable properties, and radiation. Three skeletal mechanisms of n‑butyl acetate, derived from a large detailed mechanism comprised of 819 species and 52,698 reactions, were used in the numerical simulations to evaluate the influence of the kinetic mechanism on burning. The reduced mechanisms comprised 212 species and 5413 reactions, 157 species and 3089 reactions, and 105 species and 1035 reactions. The numerical model did not include soot formation, though qualitatively mild sooting was noted only for droplets larger than 0.7 mm. The numerical predictions were in good agreement with experimental measurements of droplet and flame diameters. Flame extinction was numerically predicted which was attributed to a decrease of the characteristic diffusion time relative to the chemical time as droplet burned. Effects of initial droplet diameter on the evolution of maximum gas temperature (Tmax) and peak mole fractions of CO2 and CO are also examined numerically.

09 BIOMASS FUELS↗

DOE OSTI2025

OH density and water vapor concentration gradients during plasma-droplet interactions

Plasma-droplet interactions significantly promote the reactivity transfer of gas phase species from the plasma to the liquid phase. Nonetheless, experimental studies on the impact of droplet evaporation on reactive species generation in such systems remain scarce. We report the spatial distribution of water vapor and OH radical densities around a droplet (∼41 μm in diameter) in He and He-Ar plasma using laser-induced fluorescence. The results reveal a significant gradient in both water vapor and OH radical concentrations near the droplets. Mutiple droplets present in the plasma can lead to a significant accumulation of water vapor and even local quenching of the discharge. The findings are critical for developing a quantitative understanding of plasma-liquid interactions for a broad range of plasma-enabled applications in the liquid phase often involving OH radicals.

42 ENGINEERING↗

DOE OSTI2021

Two-Phase Turbulence Statistics from High Fidelity Dispersed Droplet Flow Simulations in a Pressurized Water Reactor (PWR) Sub-Channel with Mixing Vanes

In the dispersed flow film boiling regime (DFFB), which exists under post-LOCA (loss-of-coolant accident) conditions in pressurized water reactors (PWRs), there is a complex interplay between droplet dynamics and turbulence in the surrounding steam. Experiments have accredited particular significance to droplet collision with the spacer-grids and mixing vane structures and their consequent positive feedback to the heat transfer recorded in the immediate downstream vicinity. Enabled by high-performance computing (HPC) systems and a massively parallel finite element-based flow solver—PHASTA (Parallel Hierarchic Adaptive Stabilized Transient Analysis)—this work presents high fidelity interface capturing, two-phase, adiabatic simulations in a PWR sub-channel with spacer grids and mixing vanes. Selected flow conditions for the simulations are informed by the experimental data found in the literature, including the steam Reynolds number and collision Weber number (Wec={40,80}), and are characteristic of the DFFB regime. Data were collected from the simulations at an unprecedented resolution, which provides detailed insights into the continuous phase turbulence statistics, highlighting the effects of the presence of droplets and the comparative effect of different Weber numbers on turbulence in the surrounding steam. Further, axial evolution of droplet dynamics was analyzed through cross-sectionally averaged quantities, including droplet volume, surface area and Sauter mean diameter (SMD). The downstream SMD values agree well with the existing empirical correlations for the selected range of Wec. The high-resolution data repository from the simulations herein is expected to be of significance to guide model development for system-level thermal hydraulic codes.

Saini, Nadish↗

DOE OSTI2019

Technical note: The role of evolving surface tension in the formation of cloud droplets

The role of surface tension ( σ ) in cloud droplet activation has long been ambiguous. Recent studies have reported observations attributed to the effects of an evolving surface tension in the activation process. However, the adoption of a surface-mediated activation mechanism has been slow and many studies continue to neglect the composition dependence of aerosol–droplet surface tension, using instead a value equal to the surface tension of pure water ( σ w ). In this technical note, we clearly describe the fundamental role of surface tension in the activation of multicomponent aerosol particles into cloud droplets. It is demonstrated that the effects of surface tension in the activation process depend primarily on the evolution of surface tension with droplet size, typically varying in the range 0.5 σ w ≲ σ ≤ σ w due to the partitioning of organic species with a high surface affinity. We go on to report some recent laboratory observations that exhibit behavior that may be associated with surface tension effects and propose a measurement coordinate that will allow surface tension effects to be better identified using standard atmospheric measurement techniques. Unfortunately, interpreting observations using theory based on surface film and liquid–liquid phase separation models remains a challenge. Our findings highlight the need for experimental measurements that better reveal the role of composition-dependent surface tensions, critical for advancing predictive theories and parameterizations of cloud droplet activation.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1977

Microphysical response of cloud droplets in a fluctuating updraft

The effect of a fluctuating updraft upon a distribution of cloud droplets is examined. Computations are performed for fourteen vertical velocity patterns; each allows a closed parcel of cloud air to undergo downward as well as upward motion. Droplet solution and curvature effects are included. The classical equations for the growth rate of an individual droplet by vapor condensation relies on simplifying assumptions. Those assumptions are isolated and examined. A unique approach is presented in which all energy sources and sinks of a droplet may be considered and is termed the explicit model. It is speculated that the explicit model may enhance the growth of large droplets at greater heights. Such a model is beneficial to the studies of pollution scavenging and acid rain.

Harding, D. D.↗

NASA NTRS1953

A Method for Determining Cloud-Droplet Impingement on Swept Wings

The general effect of wing sweep on cloud-droplet trajectories about swept wings of high aspect ratio moving at subsonic speeds is discussed. A method of computing droplet trajectories about yawed cylinders and swept wings is presented, and illustrative droplet trajectories are computed. A method of extending two-dimensional calculations of droplet impingement on nonswept wings to swept wings is presented. It is shown that the extent of impingement of cloud droplets on an airfoil surface, the total rate of collection of water, and the local rate of impingement per unit area of airfoil surface can be found for a swept wing from two-dimensional data for a nonswept wing. The impingement on a swept wing is obtained from impingement data for a nonswept airfoil section which is the same as the section in the normal plane of the swept wing by calculating all dimensionless parameters with respect to flow conditions in the normal plane of the swept wing.

Dorsch, Robert G.↗

NASA NTRS1958

Droplet Impingement and Ingestion by Supersonic Nose Inlet in Subsonic Tunnel Conditions

The amount of water in cloud droplet form ingested by a full-scale supersonic nose inlet with conical centerbody was measured in the NACA Lewis icing tunnel. Local and total water impingement rates on the cowl and centerbody surfaces were also obtained. All measurements were made with a dye-tracer technique. The range of operating and meteorological conditions studied was: angles of attack of 0 deg and 4.2 deg, volume-median droplet diameters from about 11 to 20 microns, and ratios of inlet to free-stream velocity from about 0.4 to 1.8. Although the inlet was designed for supersonic (Mach 2.0) operation of the aircraft, the tunnel measurements were confined to a free-stream velocity of 156 knots (Mach 0.237). The data are extendable to other subsonic speeds and droplet sizes by dimensionless impingement parameters. Impingement and ingestion efficiencies are functions of the ratio of inlet to free-stream velocity as well as droplet size. For the model and range of conditions studied, progressively increasing the inlet velocity ratio from less than to greater than 1.0 increased the centerbody impingement efficiency and shifted the cowl impingement region from the inner- to outer-cowl surfaces, respectively. The ratio of water ingested by the inlet plane to that contained in a free-stream tube of cross section equal to that at the inlet plane also increased with increasing inlet velocity ratio. Theoretically calculated values of inlet water (or droplet) ingestion are in good agreement with experiment for annular inlet configurations.

Gelder, Thomas F.↗

NASA NTRS1982

Skylab near-infrared observations of clouds indicating supercooled liquid water droplets

Orographically-induced lee-wave clouds were observed over New Mexico by a multichannel scanning radiometer on Skylab during December 1973. Channels centered at 0.83, 1.61 and 2.125 microns were used to determine the cloud optical thickness, thermodynamic phase and effective particle size. An additional channel centered at 11.4 microns was used to determine cloud-top temperature, which was corroborated through comparison with the stereographically determined cloud top altitudes and conventional temperature soundings. Analysis of the measured near-infrared reflection functions at 1.61 and 2.125 microns are most easily interpreted as indicating the presence of liquid-phase water droplets. This interpretation is not conclusive even after considerable effort to understand possible sources for misinterpretation. However, if accepted the resulting phase determination is considered anomalous due to the inferred cloud-top temperatures being in the -32 to -47 C range. Theory for the homogeneous nucleation of pure supercooled liquid water droplets predicts very short lifetimes for the liquid phase at these cold temperatures. A possible explanation for the observations is that the wave-clouds are composed of solution droplets. Impurities in the cloud droplets could decrease the homogeneous freezing rate for these droplets, permitting them to exist for a longer time in the liquid phase, at the cold temperatures found.

Curran, R. J.↗

NASA NTRS1983

Numerical Simulation for Droplet Combustion Using Lagrangian Hydrodynamics

A predictive model of spray combustion must incorporate models for the wide variety of physical environments in a practical combustor. In regions where droplets are closely spaced, combustion resembles a diffusion flame; where they are well separated, an envelope or wake flame results. The relative velocity field between the fuel droplets and oxidizer in influences boundary layer development about the droplet, recirculating flow patterns, and droplet shape and stability. A model must encompass these interacting temporal and spatial effects as well as complicated combustor boundaries. The objective of the current work is to develop the triangular gridding method for describing the individual and collective properties of vaporizing and burning fuel droplets.

Fritts, M. J.↗

NASA NTRS1982

Droplet size effects on NO/x/ formation in a one-dimensional monodisperse spray combustion system

A one-dimensional monodisperse aerosol spray combustion facility is described and experimental results of post flame NO/NO(x) emissions are presented. Four different hydrocarbon fuels were studied: isopropanol, methanol, n-heptane, and n-octane. The results indicate an optimum droplet size in the range of 48-58 microns for minimizing NO/NO(x) production for all of the test fuels. This NO(x) behavior is associated with droplet interactions and the transition from diffusive type of spray burning to that of a prevaporized and premixed case. Decreasing the droplet size results in a trend of increasing droplet interactions, which suppresses temperatures and reduces NO(x). This trend continues until prevaporization effects begin to dominate and the system tends towards the premixed limit. The occurrence of the minimum NO(x) point at different droplet diameters for the different fuels appears to be governed by the extent of prevaporization of the fuel in the spray, and is consistent with theoretical calculations based on each fuel's physical properties.

Sarv, H.↗

NASA NTRS1982

Direct contact droplet heat exchangers for thermal management in space

A liquid droplet heat exchanger for space applications is described which transfers heat between a gas and a liquid metal dispersed into droplets. The ability of the droplet heat exchanger to transfer heat between two media in direct contact over a wide temperature range circumvents many of the material limitations of conventional tube-type heat exchangers and does away with complicated plumbing systems and their tendency toward single point failure. Droplet heat exchangers offer large surface to volume ratios in a compact geometry, very low gas pressure drop, and high effectiveness. The application of the droplet heat exchanger in a high temperature Brayton cycle is discussed to illustrate its performance and operational characteristics.

Bruckner, A. P.↗

NASA NTRS1983

Settling of fixed erythrocyte suspension droplets

It is pointed out that when particles behave collectively rather than individually, the fractionation of micron-size particles on the basis of size, density, and surface characteristics by centrifugation and electrophoresis is hindered. The formation and sedimentation of droplets containing particles represent an extreme example of collective behavior and pose a major problem for these separation methods when large quantities of particles need to be fractionated. Experiments are described that measure droplet sizes and settling rates for a variety of particles and droplets. Expressions relating the particle concentration in a drop to measurable quantities of the fluids and particles are developed. The number of particles in each droplet is then estimated, together with the effective droplet density. Red blood cells from different animals fixed in glutaraldehyde provide model particle groups.

Omenyi, S. N.↗

NASA NTRS1983

Droplet sizes and velocities in vaporizing sprays

A pulse height laser Doppler anemometer particle sizing technique has been refined to permit simultaneous particle size and velocity measurements in sprays. The improvements include (1) the use of a specially tailored 'top hat' light distribution, to provide unambiguous particle diameter-signal amplitude relations, (2) the use of back scattered light collection, and (3) the utilization of Mie theory to compute the relations between signal amplitude and particle diameter, in the backscatter mode. Twin-fluid atomized kerosene sprays have been investigated using the new technique. In these sprays distributions have been mapped of mean droplet diameters, droplet size distributions, and the local correlations between droplet diameters and velocities. The data show the variation of spray structure with atomizer input parameters, the preferential vaporization of smaller droplets, and the differing trajectories of the large and small droplets.

Yule, A. J.↗

NASA NTRS1984

Solidification of highly undercooled Sn-Pb alloy droplets

Experimental work on undercooling and structure of tin-lead droplets emulsified in oil is described. The droplets, predominantly in the size range of 10 to 20 microns, were cooled at rates (just before nucleation) ranging from about 0.1 to 1 million K/s. The higher cooling rates were obtained by a newly developed technique of quenching the emulsified droplets in a cold liquid. Measured undercoolings (at the lower cooling rates) ranged up to about 100 K. Structures obtained depend strongly on undercooling, cooling rate before and after nucleation, and alloy composition. Droplets containing up to 5 wt pct Pb were apparently single phase when undercooled and rapidly quenched. Droplets in the composition range of about 25-90 wt pct Pb solidified dendritically, even at the most rapid quench rates employed, apparently because these alloys undercooled only slightly before nucleation of the primary phase.

Chu, M. G.↗

NASA NTRS1985

Liquid droplet radiator technology issues

The operation of the liquid droplet radiator (LDR) is analyzed to establish design constraints for the LDR components and to predict the performance of an integrated LDR system. The design constraints largely result from mass loss considerations: fluid choice is governed by evaporation loss; droplet generation techniques must be capable of precise aiming of greater than 10 to the 5th droplet streams; and collection losses must be less than 1 droplet in 10 to the 7th. Concepts for droplet generation and collection components are discussed and incorporated into a mass model for an LDR system. This model predicts that LDR's using lithium, Dow 705 silicone fluid, or NaK may be several times lighter than heat pipe radiators.

Mattick, A. T.↗