Experimental determination of vapor species from laser-ablated carbon phenolic composites
Previosuly cited in issue 17, p. 2910, Accession no. A81-39069
Lincoln, K. A.↗
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MUlti-SpEctral, MUlti-SpEcies, MUlti-SatEllite (MUSES) Retrieval Algorithm: Towards Extending Multi-Decadal NASA EOS Atmospheric Composition Data Records
Multi-Spectra, Multi-Species, Multi-Sensors (MUSES): Builds off of heritage from the Tropospheric Emission Spectrometer (TES) optimal estimation (OE) algorithm to combine a priori and satellite data, including rigorous error analysis diagnostics and observation operators needed for trend analysis, climate model evaluation, and data assimilation; has generic design to incorporate forward model radiances from hyperspectral measurements from multiple sensors into the joint retrieval algorithm.
Fu, Dejian↗
Coupled Monte Carlo Probability Density Function/ SPRAY/CFD Code Developed for Modeling Gas-Turbine Combustor Flows
The success of any solution methodology for studying gas-turbine combustor flows depends a great deal on how well it can model various complex, rate-controlling processes associated with turbulent transport, mixing, chemical kinetics, evaporation and spreading rates of the spray, convective and radiative heat transfer, and other phenomena. These phenomena often strongly interact with each other at disparate time and length scales. In particular, turbulence plays an important role in determining the rates of mass and heat transfer, chemical reactions, and evaporation in many practical combustion devices. Turbulence manifests its influence in a diffusion flame in several forms depending on how turbulence interacts with various flame scales. These forms range from the so-called wrinkled, or stretched, flamelets regime, to the distributed combustion regime. Conventional turbulence closure models have difficulty in treating highly nonlinear reaction rates. A solution procedure based on the joint composition probability density function (PDF) approach holds the promise of modeling various important combustion phenomena relevant to practical combustion devices such as extinction, blowoff limits, and emissions predictions because it can handle the nonlinear chemical reaction rates without any approximation. In this approach, mean and turbulence gas-phase velocity fields are determined from a standard turbulence model; the joint composition field of species and enthalpy are determined from the solution of a modeled PDF transport equation; and a Lagrangian-based dilute spray model is used for the liquid-phase representation with appropriate consideration of the exchanges of mass, momentum, and energy between the two phases. The PDF transport equation is solved by a Monte Carlo method, and existing state-of-the-art numerical representations are used to solve the mean gasphase velocity and turbulence fields together with the liquid-phase equations. The joint composition PDF approach was extended in our previous work to the study of compressible reacting flows. The application of this method to several supersonic diffusion flames associated with scramjet combustor flow fields provided favorable comparisons with the available experimental data. A further extension of this approach to spray flames, three-dimensional computations, and parallel computing was reported in a recent paper. The recently developed PDF/SPRAY/computational fluid dynamics (CFD) module combines the novelty of the joint composition PDF approach with the ability to run on parallel architectures. This algorithm was implemented on the NASA Lewis Research Center's Cray T3D, a massively parallel computer with an aggregate of 64 processor elements. The calculation procedure was applied to predict the flow properties of both open and confined swirl-stabilized spray flames.
Source record↗
The Effect of Temperature on the Preservation of Volatile-Rich Lunar Samples
Introduction. The Moon’s south pole is a high-priority target for human exploration and scientific study. This interest is, in part, due to the presence of Permanently Shadowed Regions (PSRs), which could contain high concentrations of unique volatiles at cryogenic temperatures [1]. Returned samples from PSRs may include a unique combination of rocks, regolith, and volatile species, providing unprecedented insights into the history of the Solar System and the potential for resource utilization on the Moon. However, because PSR samples are cryogenic up-on collection, lunar polar sample return will eventually require cold stowage for the journey from the Moon to Earth. Without cold stowage, PSR sample return will likely result in phase changes and chemical reactions within the volatile component of the sample, which would negatively impact the resulting scientific studies of those samples. This abstract summarizes the initial results from an ongoing characterization of analog PSR samples at a range of temperatures, with the goal of defining the temperatures needed for a flight cold stowage freezer. Background. Based on remote sensing observations of the Moon [2], south polar PSRs range in temperature from ~120K for small and/or shallow PSRs to ~20K at the most extreme locations in large, deep PSRs. A range of volatiles have been hypothesized to exist at the surface or subsurface of the lunar poles [3-5 and others]. This hypothesis was verified when the LCROSS mission impacted the <50-K PSR in the crater Cabeus, detecting a range of volatiles from water to low condensation temperature species such as H2S and methane [6]. Species such as H2S and ammonia (also detected by LCROSS) are also highly reactive, and increase the likelihood of chemical reactions at elevated (non-cryogenic) temperatures. At the Johnson Space Center’s Planetary Exploration and Astromaterials Research Laboratory (JSC-PEARL), we have developed a volatile-bearing lunar simulant that incorporates several of the species detected by LCROSS [Table 1] mixed cryogenically with the USGS Lunar Highlands Type (LHT) regolith simulant. The new volatile-regolith simulant will be used to assess the degree of sample alteration at room temperature, -20°C, -80°C, and -196°C (liquid nitro-gen), over a two-week period. Room temperature samples represent those likely to be returned during initial missions without cold stowage, -20°C provides an analog to Apollo cold curated samples, -80°C is the temperature of multiple flight payload freezers (e.g., MELFI), and -196°C is analogous to lunar PSRs. Two weeks is an approximation of the time between sample collection and Earth return for initial Artemis missions. Over this period of time, sample head-space gases will be analyzed using a Universal Gas Analyzer (UGA, a type of mass spectrometer) coupled with a Baratron pressure sensor. After testing, the regolith component of the simulant will be purged of volatiles and preserved for future electron beam and/or FTIR analysis. Experimental Procedure. Volatile-regolith simulants will be produced as an initial homogenous batch; this batch will then be distributed into aliquots (gas chromatography/GC vials or cryo vials), ensuring that each sample has the same starting composition and conditions [Fig. 1]. In addition to the “full” simulant shown in Table 1, less complex simulant compositions will be used as baseline and control samples [Table 2]. Aliquots will be produced in triplicate for each simulant composition, storage temperature, and date of sampling. Headspace gases in all Day 0 samples will be analyzed by the UGA immediately. Cold storage samples for future analytical days will be placed in freezers appropriate to their target temperatures (-20°C, -80°C, -196°C). For ambient-temperature samples, regolith and regolith-water samples will be stored in a fume hood, while the full simulant will be stored in a sealed Parr vessel for safety; no other simulants (RWCM/ RWCM+) will be stored at ambient temperature for this test. Samples will be analyzed by UGA in this manner on each Analysis Day outlined in Table 2. Analytical Data. The UGA measures the partial pressures in a single sample aliquot over a set mass range of 0-105 atomic mass units (AMU) [Figure 2]; this set range was selected to slightly exceed the mass of the highest-mass expected reaction product (H2SO4). The Baratron complements the UGA by measuring the total pressure in the headspace of a sample vial. Coupled together, the quantitative abundances of gases will be monitored throughout the test. UGA analyses of the triplicate samples for each storage temperature, day, and simulant composition will be averaged, and standard deviations for each will be calculated. The compositions of starting species (shown in Table 1) will be characterized as a function of time, and the presence of any new compounds (reaction products) will be monitored as well. Total pressures will be recorded for each sample analysis, and any samples that show signs of leakage (e.g., a significant reduction in pressure or simulant volatiles) will be discarded. Anticipated Results. Testing is planned to begin in January 2022. The resulting data will allow compositional and phase changes in the volatile component of the simulants to be determined. Both the reduction in initial compounds and the addition of reaction products are expected to be observed. In addition, the relative efficacy of the different temperatures at pre-serving the initial composition of the simulants will be quantified. Finally, the regolith component of each sample will be argon-purged and stored in a controlled environment for future laboratory analysis. Compositional and morphological changes in the regolith are expected for samples above 0°C. This test will be repeated three times over the course of 2022. Understanding the effect of temperature on both the volatile and regolith components of analog lunar materials will allow requirements for a cold stowage freezer to be developed. The implementation of cold stowage for lunar polar missions will maximize the preservation of returned samples, enabling ground-breaking lunar and Solar System volatiles science for decades to come.
J L Mitchell↗
A Solution Methodology and Computer Program to Efficiently Model Thermodynamic and Transport Coefficients of Mixtures
A solution methodology has been developed to efficiently model multi-specie, chemically frozen, thermally perfect gas mixtures. The method relies on the ability to generate a single (composite) set of thermodynamic and transport coefficients prior to beginning a CFD solution. While not fundamentally a new concept, many applied CFD users are not aware of this capability nor have a mechanism to easily and confidently generate new coefficients. A database of individual specie property coefficients has been created for 48 species. The seven coefficient form of the thermodynamic functions is currently used rather then the ten coefficient form due to the similarity of the calculated properties, low temperature behavior and reduced CPU requirements. Sutherland laminar viscosity and thermal conductivity coefficients were computed in a consistent manner from available reference curves. A computer program has been written to provide CFD users with a convenient method to generate composite specie coefficients for any mixture. Mach 7 forebody/inlet calculations demonstrated nearly equivalent results and significant CPU time savings compared to a multi-specie solution approach. Results from high-speed combustor analysis also illustrate the ability to model inert test gas contaminants without additional computational expense.
Ferlemann, Paul G.↗
Noise produced by fluid inhomogeneities
In an actual engine system, one mechanism for production of hot spots is the burning of various fluid elements at various different mixture ratios. Variable mixture ratio means variable temperature, and this is the effect that has been studied insofar as a noise source is concerned. However, variable mixture ratio also implies variable molecular weight and heat capacity. The paper investigates whether either of these last two variations may be responsible for a significant noise source. The analysis is made within the context of one-dimensional unsteady flow as in the work of Candel (1972). A mixture of thermally perfect gases is assumed as the working fluid, and the fluid composition consists of species 1 and a small and variable mole fraction of species 2 which has different molecular weight and specific heats as compared with species 1. In the absence of changes in the ratio of specific heat (gamma), the entropy variations due to temperature and molecular weight variations are equivalent as a sound source. The portion of sound called 'gamma prime' noise is discussed.
Strahle, W. C.↗
On the origins of energetic ions in the earth's dayside magnetosheath
Energetic ion events in the earth's dayside subsolar magnetosheath (0900 - 1300 Local Time) are surveyed using data from the AMPTE/CCE Hot Plasma Composition Experiment. Ion species carrying the signature of their origin O(+) and energetic He(2+) are used to distinguish between magnetospheric and solar wind origins for the energetic ion events. The results of this survey indicate that the majority of energetic (10-17 keV/e) H(+) and He(2+) ions observed in the dayside magnetosheath are accelerated from the solar wind population. The energetic He(2+) to H(+) density ratio in the magnetosheath is consistent with that predicted from first-order Fermi acceleration of solar wind ions in the turbulent regions upstream and downstream from the earth's quasi-parallel bow shock. The simultaneous occurrence of both energetic He(2+) and magnetospheric O(+) indicates that, on occasion, both Fermi acceleration of solar wind ions and leakage of magnetospheric ions occurs in the dayside magnetosheath.
Fuselier, S. A.↗
Rocket/Radar Investigation of Lower Ionospheric Electrodynamics Associated with Intense Midlatitude Sporadic-E Layers
Sporadic layers, which appear in the region from 100 km to 120 km are thought to be formed by convergent Pedersen drifts induced by altitude gradients in the zonal neutral wind. In this altitude region NO+ and 02+ are the major ions produced by photoionization and charge exchange of atmospheric and ionospheric species. The relative composition of atmospheric ions and meteoric ions in sporadic layers is important in determining their persistence, the time scales for formation, and the electrical conductivity of the layers. This rocket investigation will include a diagnosis of the neutral wind field and the electric field distribution. Coupled with ion composition measurements we will be able to expose the relevant formation mechanisms and the electrodynamic consequences of their existence. A rocket trajectory has been chosen to provide substantial horizontal sampling of the layer properties and knowledge of the horizontal gradients in composition and density are essential to determine the polarization electric fields that may be associated with ionospheric layers. The University of Texas at Dallas (UTD) is responsible for designing, building, and operating the ion mass spectrometers included on these rockets. The following provides a summary of the UTD accomplishments in the second year of the project as well as a description of the plans for the third year's activities. The UTD mass spectrometer acronym has been coined as PRIMS for Puerto Rico Ion Mass Spectrometer.
Heelis, R. A.↗
The Effect of Surface Chemical Functionality Upon Ice Adhesion
In nature, anti-freeze proteins present in fish utilize specific organic functionalities to disrupt ice crystal formation and propagation. Based on these structures, surfaces with controlled chemical functionality and chain length were evaluated both experimentally and computationally to assess the effect of both parameters in mitigating ice formation. Linear aliphatic dimethylethoxysilanes terminated with methyl or hydroxyl groups were prepared, characterized, and used to coat aluminum. The effect upon icing using a microdroplet freezing apparatus and the Adverse Environment Rotor Test Stand found hydroxyl-terminated materials exhibited a greater propensity for ice formation and adhesion. Molecular dynamics simulations of a silica substrate bearing functionalized species of similar composition were brought into contact with a pre-equilibrated ice crystal. Several parameters including chain mobility were monitored to ascertain the size of a quasi-liquid layer. The studies suggested that chain mobility affected the interface between ice and the surface more than terminal group chemical composition.
Smith, Joseph G., Jr.↗
Space-Based Infrared Interferometry to Study Exoplanetary Atmospheres
The quest for other habitable worlds and the search for life among them are major goals of modern astronomy. One way to make progress towards these goals is to obtain high-quality spectra of a large number of exoplanets over a broad range of wavelengths. While concepts currently investigated in the United States are focused on visible/NIR wavelengths, where the planets are probed in reflected light, a compelling alternative to characterize planetary atmospheres is the mid-infrared waveband (5-20 um). Indeed, mid-infrared observations provide key information on the presence of an atmosphere, the surface conditions (e.g., temperature, pressure, habitability), and the atmospheric composition in important species such as H2O,CO2, O3, CH4, and N2O. This information is essential to investigate the potential habitability of exoplanets and to make progress towards the search for life in the Universe. Obtaining high-quality mid-infrared spectra of exoplanets from the ground is however extremely challenging due to the overwhelming brightness and turbulence of the Earth's atmosphere. In this paper, we present a concept of space-based midinfrared interferometer that can tackle this observing challenge and discuss the maintechnological developments required to launch such a sophisticated instrument.
Defrère, D.↗
On the paragenetic modes of minerals: A mineral evolution perspective
A systematic survey of 57 different paragenetic modes distributed among 5659 mineral species reveals patterns in the diversity and distribution of minerals related to their evolving formational environments. The earliest minerals in stellar, nebular, asteroid, and primitive Earth contexts were dominated by relatively abundant chemical elements, notably H, C, O, Mg, Al, Si, S, Ca, Ti, Cr, and Fe. Significant mineral diversification subsequently occurred via two main processes, first through gradual selection and concentration of rarer elements by fluid-rock interactions (for example, in hydrothermal metal deposits, complex granite pegmatites, and agpaitic rocks), and then through near-surface biologically mediated oxidation and weathering. We find that 3349 mineral species (59.2%) are known from only one paragenetic context, whereas another 1372 species (24.2%) are associated with two paragenetic modes. Among the most genetically varied minerals are pyrite, albite, hornblende, corundum, magnetite, calcite, hematite, rutile, and baryte, each with 15 or more known modes of formation. Among the most common paragenetic modes of minerals are near-surface weathering/oxidation (1998 species), subsurface hydrothermal deposition (859 species), and condensation at volcanic fumaroles (459 species). In addition, many species are associated with compositionally extreme environments of highly differentiated igneous lithologies, including agpaitic rocks (726 species), complex granite pegmatites (564 species), and carbonatites and related carbonate-bearing magmas (291 species). Biological processes lead to at least 2707 mineral species, primarily as a consequence of oxidative weathering but also through coal-related and other taphonomic minerals (597 species), as well as anthropogenic minerals, for example as byproducts of mining (603 minerals). However, contrary to previous estimates, we find that only ~34% of mineral species form exclusively as a consequence of biological processes. By far the most significant factor in enhancing Earth’s mineral diversity has been its dynamic hydrological cycle. At least 4583 minerals—81% of all species—arise through water-rock interactions. A timeline for mineral-forming events suggests that much of Earth’s mineral diversity was established within the first 250 million years. If life is rare in the universe, then this view of a mineralogically diverse early Earth provides many more plausible reactive pathways over a longer timespan than previous models. If, however, life is a cosmic imperative that emerges on any mineral- and water-rich world, then these findings support the hypothesis that life on Earth developed rapidly in the early stages of planetary evolution
Robert M. Hazen↗
The Chlorine Isotopic Composition Of Lunar UrKREEP
Since the long standing paradigm of an anhydrous Moon was challenged there has been a renewed focus on investigating volatiles in a variety of lunar samples. However, the current models for the Moon’s formation have yet to fully account for its thermal evolution in the presence of H2O and other volatiles. When compared to chondritic meteorites and terrestrial rocks, lunar samples have exotic chlorine isotope compositions, which are difficult to explain in light of the abundance and isotopic composition of other volatile species, especially H, and the current estimates for chlorine and H2O in the bulk silicate Moon. In order to better understand the processes involved in giving rise to the heavy chlorine isotope compositions of lunar samples, we have performed a comprehensive in situ high precision study of chlorine isotopes, using NanoSIMS (Nanoscale Secondary Ion Mass Spectrometry) of lunar apatite from a suite of Apollo samples covering a range of geochemical characteristics and petrologic types.
Barnes, J. J.↗
The Chlorine Isotopic Composition Of Lunar UrKREEP
Since the long standing paradigm of an anhydrous Moon was challenged there has been a renewed focus on investigating volatiles in a variety of lunar samples. Numerous studies have examined the abundances and isotopic compositions of volatiles in lunar apatite, Ca5(PO4)3(F,Cl,OH). In particular, apatite has been used as a tool for assessing the sources of H2O in the lunar interior. However, current models for the Moon's formation have yet to fully account for its thermal evolution in the presence of H2O and other volatiles. For ex-ample, in the context of the lunar magma ocean (LMO) model, it is anticipated that chlorine (and other volatiles) should have been concentrated in the late-stage LMO residual melts (i.e., the dregs enriched in incompatible elements such as K, REEs (Rare Earth Elements), and P, collectively called KREEP, and in its primitive form - urKREEP, given its incompatibility in mafic minerals like olivine and pyroxene, which were the dominant phases that crystallized early in the cumulate pile of the LMO. When compared to chondritic meteorites and terrestrial rocks, lunar samples have exotic chlorine isotope compositions, which are difficult to explain in light of the abundance and isotopic composition of other volatile species, especially H, and the current estimates for chlorine and H2O in the bulk silicate Moon (BSM). In order to better understand the processes involved in giving rise to the heavy chlorine isotope compositions of lunar samples, we have performed a comprehensive in situ high precision study of chlorine isotopes in lunar apatite from a suite of Apollo samples covering a range of geochemical characteristics and petrologic types.
Barnes, J. J.↗
Solar system formation and the distribution of volatile species
To understand how the solar system formed we must understand the compositional distribution of the current system. Volatile species are particularly important in that their stability as condensed phases is limited in temperature-pressure space, and hence variations in their distribution at present potentially contain an imprint of processes by which temperature and pressure varied in the solar nebula. In this talk we restrict ourselves to species more volatile than water ice, and address issues related to processes in the outer solar system and the formation of bodies there; others in this conference will cover volatile species relevant to inner solar system processes. Study of the outer solar system is relevant both to understanding the interface between the solar nebula and the progenitor giant molecular cloud (since the chemical links to present-day observables in molecular clouds are species like methane, carbon monoxide, etc.), as well as the origin of terrestrial planet atmospheres and oceans (the latter to be covered by Owen). The wealth of compositional information on outer solar system bodies which has become available from spacecraft and ground-based observations challenges traditional simplistic views of the composition and hence dynamics of the solar nebula. The basic assumption of thermochemical equilibrium, promulgated in the 1950's, in which methane and ammonia dominate nitrogen- and carbon-bearing species, is demonstrably incorrect on both observational and theoretical grounds. However, the kinetic inhibition model which replaced it, in which carbon monoxide and molecular nitrogen dominate a nebula which is fully mixed and hence cycles outer solar system gases through a hot, chemically active zone near the disk center, is not supported either by observations. Instead, a picture of the outer solar system emerges in which the gas and grains are a mixture of relatively unaltered, or modestly altered, molecular cloud material, along with a fraction which has been chemically altered in the solar nebula itself (and perhaps giant planet nebulae).
Lunine, Jonathan I.↗
Experimental study of lunar and SNC (Mars) magmas
The overall objectives of this research were to evaluate the role of C-O-S-Cl degassing processes in explaining vesiculation, oxidation state and fire-fountaining of lunar magmas by analysis of individual lunar glass spherules, and by experimental determination of equilibrium abundances and diffusion rates of C, S and Cl melt species in lunar glass compositions; and to determine possible primitive SNC magma compositions and the mineralogy of the mantle from which they were derived, and to evaluate P, T, XH2O etc. conditions at which they crystallize to form the SNC meteorites. After funding for one year, a project on the A15 volcanic green glass has been completed to the point of writing a first manuscript. Carbon-oxygen species C-O and CO2 are below detection limits (20 ppm) in these glasses, but there is up to 500 ppm S with concentrations both increasing and decreasing toward the spherule margins. Calculations and modeling indicate that C species could have been present in the volcanic gases, however. In a second project, experiments with low PH2O have resulted in refined estimates of the early intercumulus melt composition in the Chassigny meteorite which is generally accepted as a sample from Mars.
Rutherford, Malcolm J.↗
Exotic Molecules in Space: A Coordinated Astronomical Laboratory and Theoretical Study
The present report covers the third year of a grant which represents a direct continuation of NASA NAG5-4050, with the same title as before. It is dedicated as before to the discovery and characterization of new astrophysical molecules. This year, like the two before, has been extremely productive, yielding many new discoveries of astronomical interest at both radio and optical wavelengths, and the publication or submission of the 15 papers listed below. Nearly all of these articles have or will soon appear in the leading refereed journals of astrophysics, chemical physics, physics, or molecular spectroscopy. One is a major invited review for Molecular Physics. One of our other invited reviews published in Spectrochimica Acta in 2001 was recently awarded the Sir Harold Thompson Memorial Award, annually given to the best paper in that journal. During the past year significant advances have been made by our group in the laboratory study of exotic silicon and carbon molecules of astronomical interest. The most exciting discoveries include the pure silicon cluster Si3, several novel silicon hydrides, and the detection of phenyl radical, CsH5, a fundamental reactive organic ring. In addition, the rotational spectra of many carbon chains terminated with Si, N, O, and other heteroatoms have also been detected for the first time. The laboratory astrophysics of the whole set is complete in the sense that the entire radio spectrum of each species has now been measured or can be calculated to very high accuracy. Nearly all of these newly found molecules are plausible candidates for the detection by radio astronomers in the interstellar gas or in circumstellar sources because they are similar in structure and composition to known astronomical species, and because most are calculated to possess large permanent dipole moments.
Stringfellow, Guy↗
Exotic Molecules in Space: A Coordinated Astronomical Laboratory and Theoretical Study
The present report covers the first year of a grant which represents a direct continuation of NASA NAG5-4050, with the same title as before. It is dedicated as before to the discovery and characterization of new astrophysical molecules. This year, has been extremely productive, yielding many new discoveries of astronomical interest at both radio and optical wavelengths, and the publication or submission of the 15 papers listed below. Nearly all of these articles have or will soon appear in the leading refereed journals of astrophysics, chemical physics, physics, or molecular spectroscopy. One is a major invited review for Molecular Physics. One of our other invited reviews published in Spectrochimica Acta in 2001 was recently awarded the Sir Harold Thompson Memorial Award, annually given to the best paper in that journal. During the past year significant advances have been made by our group in the laboratory study of exotic silicon and carbon molecules of astronomical interest. The most exciting discoveries include the pure silicon cluster Si3, several novel silicon hydrides, and the detection of phenyl radical, C6H5, a fundamental reactive organic ring. In addition, the rotational spectra of many carbon chains terminated with Si, N, O, and other heteroatoms have also been detected for the first time. The laboratory astrophysics of the whole set is complete in the sense that the entire radio spectrum of each species has now been measured or can be calculated to very high accuracy. Nearly all of these newly found molecules are plausible candidates for the detection by radio astronomers in the interstellar gas or in circumstellar sources because they are similar in structure and composition to known astronomical species, and because most are calculated to possess large permanent dipole moments.
Springfellow, Guy↗
Direct Numerical Simulation of Transitional Multicomponent-Species Gaseous and Multicomponent-Liquid Drop-Laden Mixing
A model of multicomponent-liquid (MC-liquid) drop evaporation in a three-dimensional mixing layer is here exercised at larger Reynolds numbers than in a previous study, and transitional states are obtained. The gas phase is followed in an Eulerian frame and the multitude of drops is described in a Lagrangian frame. Complete coupling between phases is included with source terms in the gas conservation equations accounting for the drop/flow interaction in terms of drop drag, drop heating and species evaporation. The liquid composition, initially specified as a single-Gamma (SG) probability distribution function (PDF) depending on the molar mass is allowed to evolve into a linear combination of two SGPDFs, called the double-Gamma PDF (DGPDF). The compositions of liquid and vapor emanating from the drops are calculated through four moments of the DGPDFs, which are drop-specific and location-specific, respectively. The mixing layer is initially excited to promote the double pairing of its four initial spanwise vortices into an ultimate vortex in which small scales proliferate. Simulations are performed for four liquids of different compositions and the effect of the initial mass loading and initial free-stream gas temperature are explored. For reference, Simulations are also performed for gaseous multicomponent mixing layers for which the effect of Reynolds number is investigated. The results encompass examination of the global layer characteristics, flow visualizations and homogeneous-plane statistics at transition. Comparisons are performed with previous pre-transitional MC-liquid simulations and with transitional single-component (SC) liquid studies. It is found that MCC flows at transition, the classical energy cascade is of similar strength, but that the smallest scales contain orders of magnitude less energy than SC flows, which is confirmed by the larger viscous dissipation in the former case. Contrasting to pre-transitional MC flows, the vorticity and drop organization depend on the initial gas temperature, this being due to the drop/turbulence coupling. The vapor-composition mean molar mass and standard deviation distributions strongly correlate with the initial liquid-composition PDF; such a correlation only exists for the magnitude of the mean but not for that of the standard deviation. Unlike in pre-transitional situations, regions of large composition standard deviation no longer necessarily coincide with regions of large mean molar mass. The kinetic energy, rotational and composition characteristics, and dissipation are liquid specific and the variation among liquids is amplified with increasing free-stream gas temperature. Eulerian and Lagrangian statistics of gas-phase quantities show that the different. Observation framework may affect the perception of the flow characteristics. The gas composition, of which the first four moments are calculated, is shown to be close to, but distinct from a SGPDF. The PDF of the scalar dissipation rate is calculated for drop-laden layers and is shown to depart more significantly from the typically assumed Gaussian in gaseous flows than experimentally measured gaseous scalar dissipation rates, this being attributed to the increased heterogeneity due to drop/flow interactions.
tubulent multicompenent-species↗