Test plan for Geo-Cleanse{reg_sign} demonstration (in situ destruction of dense non-aqueous phase liquid (DNAPL))

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jerome, K.M.; Looney, B.B.; Accorsi, F.

1996-09-01

Soils and groundwater beneath an abandoned process sewer line in the A/M Area of the Savannah River Site (SRS) contain elevated levels of volatile organic compounds, specifically trichloroethylene (TCE) and tetrachloroethylene (PCE), two common chlorinated solvents. These compounds have low aqueous solubilities, thus when released to the subsurface in sufficient quantity, tend to exist as immiscible fluids or nonaqueous phase liquids (NAPLs). Because chlorinated solvents are also denser than water, they are referred to by the acronym DNAPLs, or dense non-aqueous phase liquids. Technologies targeted at the efficient characterization or removal of DNAPL are not currently proven. For example, mostmore » DNAPL studies rely on traditional soil and water sampling and the fortuitous observation of immiscible solvent. Once DNAPL is identified, soil excavation (which is only applicable to small contained spill sites) is the only proven cleanup method. New cleanup approaches based on destruction of DNAPL either in situ or ex situ have been proposed and tested at the pilot scale. The proposed demonstration, as described in this report will evaluate the applicability to DNAPL plumes of a technology proven for in situ destruction of light non-aqueous phase liquids (LNAPLs) such as oils.« less

Separation dynamics of dense dispersions in laminar pipe flows: An experimental and numerical study

NASA Astrophysics Data System (ADS)

Voulgaropoulos, Victor; Jamshidi, Rashid; Zainal Abidin, M. I. I.; Angeli, Panagiota

2017-11-01

The physical mechanisms governing the separation of dense liquid dispersed flows in pipes are not well understood. In this work, both experiments and numerical simulations are performed to investigate these mechanisms. Liquid-liquid dispersions are generated using a static mixer and their evolution is studied along a horizontal pipe (26mm ID) at laminar flow and input dispersed phase volume fractions up to 50%. To conduct optical measurements (PLIF and PIV) in the dense dispersions, the refractive index of both liquids is matched. Measurements are carried out at two axial locations downstream the mixer (15D and 135D, where D is the pipe diameter). Homogeneous dispersions, observed at 15D, segregate at 135D. The packing of the drops results in asymmetric velocity profiles and high slip velocities. The mixture approach is used in the numerical simulations, including gravity and shear-induced diffusion of drops. The predictions on separation and on velocity fields agree well with the experiments. Research funded by Chevron.

Two-dimensional lattice-fluid model with waterlike anomalies

NASA Astrophysics Data System (ADS)

Buzano, C.; de Stefanis, E.; Pelizzola, A.; Pretti, M.

2004-06-01

We investigate a lattice-fluid model defined on a two-dimensional triangular lattice, with the aim of reproducing qualitatively some anomalous properties of water. Model molecules are of the “Mercedes Benz” type, i.e., they possess a D3 (equilateral triangle) symmetry, with three bonding arms. Bond formation depends both on orientation and local density. We work out phase diagrams, response functions, and stability limits for the liquid phase, making use of a generalized first order approximation on a triangle cluster, whose accuracy is verified, in some cases, by Monte Carlo simulations. The phase diagram displays one ordered (solid) phase which is less dense than the liquid one. At fixed pressure the liquid phase response functions show the typical anomalous behavior observed in liquid water, while, in the supercooled region, a reentrant spinodal is observed.

Thermodynamic properties derived from the free volume model of liquids

NASA Technical Reports Server (NTRS)

Miller, R. I.

1974-01-01

An equation of state and expressions for the isothermal compressibility, thermal expansion coefficient, heat capacity, and entropy of liquids have been derived from the free volume model partition function suggested by Turnbull. The simple definition of the free volume is used, and it is assumed that the specific volume is directly related to the cube of the intermolecular separation by a proportionality factor which is found to be a function of temperature and pressure as well as specific volume. When values of the proportionality factor are calculated from experimental data for real liquids, it is found to be approximately constant over ranges of temperature and pressure which correspond to the dense liquid phase. This result provides a single-parameter method for calculating dense liquid thermodynamic properties and is consistent with the fact that the free volume model is designed to describe liquids near the solidification point.

Liquid-liquid separation in solutions of normal and sickle cell hemoglobin

NASA Astrophysics Data System (ADS)

Galkin, Oleg; Chen, Kai; Nagel, Ronald L.; Elison Hirsch, Rhoda; Vekilov, Peter G.

2002-06-01

We show that in solutions of human hemoglobin (Hb)oxy- and deoxy-Hb A or Sof near-physiological pH, ionic strength, and Hb concentration, liquid-liquid phase separation occurs reversibly and reproducibly at temperatures between 35 and 40°C. In solutions of deoxy-HbS, we demonstrate that the dense liquid droplets facilitate the nucleation of HbS polymers, whose formation is the primary pathogenic event for sickle cell anemia. In view of recent results that shifts of the liquid-liquid separation phase boundary can be achieved by nontoxic additives at molar concentrations up to 30 times lower than the protein concentrations, these findings open new avenues for the inhibition of the HbS polymerization.

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

NASA Astrophysics Data System (ADS)

Dahms, Rainer N.

2016-04-01

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized which determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.

Measurement of intact-core length of atomizing liquid jets by image deconvolution

NASA Technical Reports Server (NTRS)

Woodward, Roger; Burch, Robert; Kuo, Kenneth; Cheung, Fan-Bill

1993-01-01

The investigation of liquid jet breakup and spray development is critical to the understanding of combustion phenomena in liquid propellant rocket engines. Much work has been done to characterize low-speed liquid jet breakup and dilute sprays, but atomizing jets and dense sprays have yielded few quantitative measurements due to their high liquid load fractions and hence their optical opacity. Focus was on a characteristic of the primary breakup process of round liquid jets, namely the length of the intact-liquid core. The specific application considered is that of shear-coaxial-type rocket engine injectors in which liquid oxygen is injected through the center post while high velocity gaseous hydrogen is injected through a concentric annulus, providing a shear force to the liquid jet surface. Real-time x ray radiography, capable of imaging through the dense two-phase region surrounding the liquid core, is used to make the measurements. The intact-liquid-core length data were obtained and interpreted using two conceptually different methods to illustrate the effects of chamber pressure, gas-to-liquid momentum ratio, and cavitation.

Measurement of intact-core length of atomizing liquid jets by image deconvolution

NASA Astrophysics Data System (ADS)

Woodward, Roger; Burch, Robert; Kuo, Kenneth; Cheung, Fan-Bill

1993-11-01

The investigation of liquid jet breakup and spray development is critical to the understanding of combustion phenomena in liquid propellant rocket engines. Much work has been done to characterize low-speed liquid jet breakup and dilute sprays, but atomizing jets and dense sprays have yielded few quantitative measurements due to their high liquid load fractions and hence their optical opacity. Focus was on a characteristic of the primary breakup process of round liquid jets, namely the length of the intact-liquid core. The specific application considered is that of shear-coaxial-type rocket engine injectors in which liquid oxygen is injected through the center post while high velocity gaseous hydrogen is injected through a concentric annulus, providing a shear force to the liquid jet surface. Real-time x ray radiography, capable of imaging through the dense two-phase region surrounding the liquid core, is used to make the measurements. The intact-liquid-core length data were obtained and interpreted using two conceptually different methods to illustrate the effects of chamber pressure, gas-to-liquid momentum ratio, and cavitation.

A classical view on nonclassical nucleation.

PubMed

Smeets, Paul J M; Finney, Aaron R; Habraken, Wouter J E M; Nudelman, Fabio; Friedrich, Heiner; Laven, Jozua; De Yoreo, James J; Rodger, P Mark; Sommerdijk, Nico A J M

2017-09-19

Understanding and controlling nucleation is important for many crystallization applications. Calcium carbonate (CaCO 3 ) is often used as a model system to investigate nucleation mechanisms. Despite its great importance in geology, biology, and many industrial applications, CaCO 3 nucleation is still a topic of intense discussion, with new pathways for its growth from ions in solution proposed in recent years. These new pathways include the so-called nonclassical nucleation mechanism via the assembly of thermodynamically stable prenucleation clusters, as well as the formation of a dense liquid precursor phase via liquid-liquid phase separation. Here, we present results from a combined experimental and computational investigation on the precipitation of CaCO 3 in dilute aqueous solutions. We propose that a dense liquid phase (containing 4-7 H 2 O per CaCO 3 unit) forms in supersaturated solutions through the association of ions and ion pairs without significant participation of larger ion clusters. This liquid acts as the precursor for the formation of solid CaCO 3 in the form of vaterite, which grows via a net transfer of ions from solution according to z Ca 2+ + z CO 3 2- → z CaCO 3 The results show that all steps in this process can be explained according to classical concepts of crystal nucleation and growth, and that long-standing physical concepts of nucleation can describe multistep, multiphase growth mechanisms.

A MODIFIED LIGHT TRANSMISSION VISUALIZATION METHOD FOR DNAPL SATURATION MEASUREMENTS IN 2-D MODELS

EPA Science Inventory

In this research, a light transmission visualization (LTV) method was used to quantify dense non-aqueous phase liquids (DNAPL) saturation in two-dimensional (2-D), two fluid phase systems. The method is an expansion of earlier LTV methods and takes into account both absorption an...

COMPATIBILITY OF BENTONITE AND DNAPLS

EPA Science Inventory

The compatibility of dense non-aqueous phase liquids (DNAPLs), trichloroethylene (TCE), methylene chloride (MC), and creosote with commercially available sodium bentonite pellets was evaluated using stainless steel, double-ring, falling-head permeameters. The Hydraulic conductiv...

A Green Method for Processing Polymers using Dense Gas Technology

PubMed Central

Yoganathan, Roshan B.; Mammucari, Raffaella; Foster, Neil R.

2010-01-01

Dense CO2 can be used as an environmentally-benign polymer processing medium because of its liquid-like densities and gas-like mass transfer properties.In this work, polymer bio-blends of polycarbonate (PC), a biocompatible polymer, and polycaprolactone (PCL), a biodegradable polymer were prepared. Dense CO2 was used as a reaction medium for the melt-phase PC polymerization in the presence of dense CO2-swollen PCL particles and this method was used to prepare porous PC/PCL blends. To extend the applicability of dense CO2 to the biomedical industry and polymer blend processing, the impregnation of ibuprofen into the blend was conducted and subsequent dissolution characteristics were observed.

A comparative study of monoclonal antibodies. 1. Phase behavior and protein-protein interactions

PubMed Central

Lewus, Rachael A.; Levy, Nicholas E.; Lenhoff, Abraham M.; Sandler, Stanley I.

2018-01-01

Protein phase behavior is involved in numerous aspects of downstream processing, either by design as in crystallization or precipitation processes, or as an undesired effect, such as aggregation. This work explores the phase behavior of eight monoclonal antibodies (mAbs) that exhibit liquid-liquid separation, aggregation, gelation, and crystallization. The phase behavior has been studied systematically as a function of a number of factors, including solution composition and pH, in order to explore the degree of variability among different antibodies. Comparisons of the locations of phase boundaries show consistent trends as a function of solution composition; however, changing the solution pH has different effects on each of the antibodies studied. Furthermore, the types of dense phases formed varied among the antibodies. Protein-protein interactions, as reflected by values of the osmotic second virial coefficient, are used to correlate the phase behavior. The primary findings are that values of the osmotic second virial coefficient are useful for correlating phase boundary locations, though there is appreciable variability among the antibodies in the apparent strengths of the intrinsic protein-protein attraction manifested. However, the osmotic second virial coefficient does not provide a clear basis to predict the type of dense phase likely to result under a given set of solution conditions. PMID:25378269

DNAPL SITE EVALUATION - Project Summary

EPA Science Inventory

Dense nonaqueous-phase liquids (DNAPLs), especially chlorinated solvents, are among the most prevalent subsurface contaminants identified in ground-water supplies and at waste disposal sites. There are several site-characterization issues specific to DNAPL sites including (a) the...

Does increasing the temperature induce DNAPL migration?

EPA Science Inventory

Tetrachloroethylene, trichloroethylene, and chlorobenzene have been identified as contaminants in groundwater and are sometimes called Dense Non-Aqueous Phase Liquids (DNAPL). Thermal methods for remediation of contaminated soils and groundwater rely on raising the temperature o...

Multiphase flow and transport caused by spontaneous gas phase growth in the presence of dense non-aqueous phase liquid

NASA Astrophysics Data System (ADS)

Roy, James W.; Smith, James E.

2007-01-01

Disconnected bubbles or ganglia of trapped gas may occur below the top of the capillary fringe through a number of mechanisms. In the presence of dense non-aqueous phase liquid (DNAPL), the disconnected gas phase experiences mass transfer of dissolved gases, including volatile components from the DNAPL. The properties of the gas phase interface can also change. This work shows for the first time that when seed gas bubbles exist spontaneous gas phase growth can be expected to occur and can significantly affect water-gas-DNAPL distributions, fluid flow, and mass transfer. Source zone behaviour was observed in three different experiments performed in a 2-dimensional flow cell. In each case, a DNAPL pool was created in a zone of larger glass beads over smaller glass beads, which served as a capillary barrier. In one experiment effluent water samples were analyzed to determine the vertical concentration profile of the plume above the pool. The experiments effectively demonstrated a) a cycle of spontaneous gas phase expansion and vertical advective mobilization of gas bubbles and ganglia above the DNAPL source zone, b) DNAPL redistribution caused by gas phase growth and mobilization, and c) that these processes can significantly affect mass transport from a NAPL source zone.

Multiphase flow and transport caused by spontaneous gas phase growth in the presence of dense non-aqueous phase liquid.

PubMed

Roy, James W; Smith, James E

2007-01-30

Disconnected bubbles or ganglia of trapped gas may occur below the top of the capillary fringe through a number of mechanisms. In the presence of dense non-aqueous phase liquid (DNAPL), the disconnected gas phase experiences mass transfer of dissolved gases, including volatile components from the DNAPL. The properties of the gas phase interface can also change. This work shows for the first time that when seed gas bubbles exist spontaneous gas phase growth can be expected to occur and can significantly affect water-gas-DNAPL distributions, fluid flow, and mass transfer. Source zone behaviour was observed in three different experiments performed in a 2-dimensional flow cell. In each case, a DNAPL pool was created in a zone of larger glass beads over smaller glass beads, which served as a capillary barrier. In one experiment effluent water samples were analyzed to determine the vertical concentration profile of the plume above the pool. The experiments effectively demonstrated a) a cycle of spontaneous gas phase expansion and vertical advective mobilization of gas bubbles and ganglia above the DNAPL source zone, b) DNAPL redistribution caused by gas phase growth and mobilization, and c) that these processes can significantly affect mass transport from a NAPL source zone.

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dahms, Rainer N.

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dahms, Rainer N., E-mail: Rndahms@sandia.gov

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

DOE PAGES

Dahms, Rainer N.

2016-04-26

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

SIMULATION OF SURFACTANT-ENHANCED AQUIFER REMEDIATION

EPA Science Inventory

Surfactant-enhanced aquifer remediation (SEAR) is currently under active investigation as one of the most promising alternatives to conventional pump-and-treat remediation for aquifers contaminated by dense nonaqueous phase organic liquids. An existing three-dimensional finite-di...

Permeability of cork for water and ethanol.

PubMed

Fonseca, Ana Luisa; Brazinha, Carla; Pereira, Helena; Crespo, Joao G; Teodoro, Orlando M N D

2013-10-09

Transport properties of natural (noncompressed) cork were evaluated for water and ethanol in both vapor and liquid phases. The permeability for these permeants has been measured, as well as the sorption and diffusion coefficients. This paper focuses on the differences between the transport of gases' relevant vapors and their liquids (water and ethanol) through cork. A transport mechanism of vapors and liquids is proposed. Experimental evidence shows that both vapors and liquids permeate not only through the small channels across the cells (plasmodesmata), as in the permeation of gases, but also through the walls of cork cells by sorption and diffusion as in dense membranes. The present study also shows that cork permeability for gases was irreversibly and drastically decreased after cork samples were exposed to ethanol or water in liquid phase.

Complexities of One-Component Phase Diagrams

ERIC Educational Resources Information Center

Ciccioli, Andrea; Glasser, Leslie

2011-01-01

For most materials, the solid at and near the triple-point temperature is denser than the liquid with which it is in equilibrium. However, for water and certain other materials, the densities of the phases are reversed, with the solid being less dense. The profound consequences for the appearance of the "pVT" diagram of one-component materials…

MICROSCOPIC OBSERVATION AND QUANTIFICATION OF ENHANCED DNAPL REMOVAL BY COSOLVENT-AIR FLOODING

EPA Science Inventory

The simultaneous injection of cosolvent and air has been suggested to improve sweep efficiency of cosolvent flooding for dense nonaqueous phase liquid (DNAPL) remediation. Glass micromodel experiments were conducted to investigate the factors that influence perchloroethylene (PCE...

Spectral Induced Polarization Response of Unconsolidated Saturated Sand and Surfactant Solutions

EPA Science Inventory

Dense non-aqueous phase liquids (DNAPL), such as chlorinated solvents, are common groundwater contaminants. Traditional pump-and-treat methods are often not effective at removing residual DNAPL from the subsurface. Surfactant-enhanced aquifer remediation is a promising remediatio...

BIOENHANCED IN-WELL VAPOR STRIPPING TO TREAT TRICHLOROETHYLENE(TCE)

EPA Science Inventory

Removal of chlorinated solvent contaminants at their subsurface source is one of the most challenging problems for remediation of these prevalent contaminants. Here, the solvents are generally present as dense non-aqueous phase liquids (DNAPLs). The potential for applicatio...

THERMAL TECHNOLOGY TESTED FOR CONTAMINANT RECOVERY

EPA Science Inventory

A research project on steam enhanced remediation (SER) for the recovery of dense nonaqueous phase liquid (DNAPL) from fractured limestone has been undertaken at the former Loring Air Force Base Quarry site in Limestone, ME. Participants in the project include the Maine Departmen...

ENHANCED SOURCE REMOVAL USING IN-SITU CHEMICAL FLUSHING

EPA Science Inventory

Dense non-aqueous phase liquids (DNAPL) have been identified as a major impediment to the cleanup of many contaminated sites. Conventional ground water remediation methods such as pump-and-treat have proven ineffective at these sites. As a result, alternative remediation approach...

Increasing Confidence In Treatment Performance Assessment Using Geostatistical Methods

EPA Science Inventory

It is well established that the presence of dense non-aqueous phase liquids (DNAPLs) such as trichloroethylene (TCE) in aquifer systems represents a very long-term source of groundwater contamination. Significant effort in recent years has been focussed on developing effective me...

THE IMPACT OF PARTIAL DNAPL SOURCE ZONE REMEDIATION

EPA Science Inventory

Dense non-aqueous phase liquids (DNAPL) constitute a long-term source of groundwater contamination and a significant effort is usually required to treat these contaminated waters and bring them back to maximum contaminant level (MCL) required by the regulatory authorities.
Fi...

IMPACTS OF DNAPL SOURCE TREATMENT ON CONTAMINANT MASS FLUX

EPA Science Inventory

Current remedial techniques are unable to completely eliminate all dense nonaqueous phase liquid (DNAPL) from source zone areas at most sites, and conflicting views on the benefits of partial DNAPL source zone remediation exist in the literature. A comparison of contaminant flux...

EVALUATIONS OF DNAPL REMEDIAL PERFORMANCE BASED ON FIELD MEASUREMENTS OF CONTAMINANT FLUX

EPA Science Inventory

Under a concentration-based regulatory framework, the benefits of conducting dense nonaqueous phase liquid (DNAPL) source-zone remediation are questionable because of the impracticality of complete DNAPL elimination at most sites. Removing a sufficient mass of DNAPL to achieve c...

DENSE NONAQUEOUS PHASE LIQUID (DNAPL) MOVEMENT AND DISTRIBUTION IN CLAY-CONTAINING POROUS MEDIA. (R827120)

EPA Science Inventory

The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

EZVI Injection Field Test Leads to Pilot-Scale Application

EPA Science Inventory

Testing and monitoring of emulsified zero-valent ironTM (EZVI) injections was conducted at Cape Canaveral Air Force Station’s Launch Complex 34, FL, in 2002 to 2005 to evaluate the technology’s efficacy in enhancing in situ dehalogenation of dense nonaqueous-phase liquid (DNAPL) ...

FIELD EVALUATION OF THE TREATMENT OF DNAPL USING EMULSIFIED ZERO-VALENT IRON

EPA Science Inventory

A pilot scale field demonstration of dense non-aqueous phase liquids (DNAPL) treatment using emulsified zero-valent iron (EZVI) is being conducted at Parris Island Marine Corps Recruit Depot (MCRD), Parris Island SC. The demonstration is being conducted by Geosyntec, the Nationa...

THE DNAPL REMEDIATION CHALLENGE: IS THERE A CASE FOR SOURCE DEPLETION?

EPA Science Inventory

Releases of Dense Non-Aqueous Phase Liquids (DNAPLs) at a large number of public and private sector sites in the United States pose significant challenges in site remediation and long-term site management. Extensive contamination of groundwater occurs as a result of significant ...

FIELD MEASUREMENTS OF CONTAMINANT FLUX BY INTEGRAL PUMPING TESTS (SAN FRANCISCO, CA)

EPA Science Inventory

Current remedial techniques are unable to completely eliminate all dense nonaqueous phase liquid (DNAPL) from source zone areas and conflicting views on the benefits of partial DNAPL source zone remediation exist in the literature. A comparison of flux measurements before and af...

MONITOIRNG OF A CONTROLLED DNAPL SPILL USING A PROTOTYPE DIELECTRIC LOGGING TOOL

EPA Science Inventory

The U. S. Geological Survey (USGS) utilized their prototype dielectric logging tool to monitor a controlled Dense Non-Aqueous Phase Liquid (DNAPL) spill into a large tank located at the University of California Richmond Field Station (RFS) containing multiple sand and clayey sand...

CONTROLLED RELEASE, BLIND TEST OF DNAPL REMEDIATION BY ETHANOL FLUSHING

EPA Science Inventory

A dense nonaqueous phase liquid (DNAPL) source zone was established within a sheet-pile
isolated cell through a controlled release of perchloroethylene (PCE) to evaluate DNAPL
remediation by in-situ cosolvent flushing. Ethanol was used as the cosolvent, and the main remedia...

Theoretical model of x-ray scattering as a dense matter probe.

PubMed

Gregori, G; Glenzer, S H; Rozmus, W; Lee, R W; Landen, O L

2003-02-01

We present analytical expressions for the dynamic structure factor, or form factor S(k,omega), which is the quantity describing the x-ray cross section from a dense plasma or a simple liquid. Our results, based on the random phase approximation for the treatment on the charged particle coupling, can be applied to describe scattering from either weakly coupled classical plasmas or degenerate electron liquids. Our form factor correctly reproduces the Compton energy down-shift and the known Fermi-Dirac electron velocity distribution for S(k,omega) in the case of a cold degenerate plasma. The usual concept of scattering parameter is also reinterpreted for the degenerate case in order to include the effect of the Thomas-Fermi screening. The results shown in this work can be applied to interpreting x-ray scattering in warm dense plasmas occurring in inertial confinement fusion experiments or for the modeling of solid density matter found in the interior of planets.

Improved modeling of two-dimensional transitions in dense phases on crystalline surfaces. Krypton–graphite system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ustinov, E. A., E-mail: eustinov@mail.wplus.net

This paper presents a refined technique to describe two-dimensional phase transitions in dense fluids adsorbed on a crystalline surface. Prediction of parameters of 2D liquid–solid equilibrium is known to be an extremely challenging problem, which is mainly due to a small difference in thermodynamic functions of coexisting phases and lack of accuracy of numerical experiments in case of their high density. This is a serious limitation of various attempts to circumvent this problem. To improve this situation, a new methodology based on the kinetic Monte Carlo method was applied. The methodology involves analysis of equilibrium gas–liquid and gas–solid systems undergoingmore » an external potential, which allows gradual shifting parameters of the phase coexistence. The interrelation of the chemical potential and tangential pressure for each system is then treated with the Gibbs–Duhem equation to obtain the point of intersection corresponding to the liquid/solid–solid equilibrium coexistence. The methodology is demonstrated on the krypton–graphite system below and above the 2D critical temperature. Using experimental data on the liquid–solid and the commensurate–incommensurate transitions in the krypton monolayer derived from adsorption isotherms, the Kr–graphite Lennard–Jones parameters have been corrected resulting in a higher periodic potential modulation.« less

Surfactant induced stabilization of nano liquid crystalline (dodecane-phytantriol) droplet

NASA Astrophysics Data System (ADS)

Abbas, S.; Saha, Debasish; Kumar, Sugam; Aswal, V. K.; Kohlbrecher, J.

2018-04-01

The study of formation and stabilization of dodecane-phytantriol (DPT) microemulsions using ionic and nonionic surfactants are investigated. Small Angle Neutron Scattering (SANS) and Dynamic Light Scattering (DLS) techniques have been employed to study the resulting structures of the micro emulsion droplets. We show the formation of stable microemulsion droplets with absence of lyotropic liquid crystalline phase on addition of nonionic surfactant C12E10. The oil to surfactant ratio plays the crucial role in formation of stable droplet and its size. The dense presence of C12E10 molecules between microemulsion droplets protect them from coalescence while less number of C12E10 between the surface of droplets easily triggers the coalescence process. The interaction with both anionic (SDS) as well as cationic (DTAB) surfactants with DPT phase leads to formation of microemulsion droplets with lyotropic liquid crystalline phase.

FIELD EVALUATION OF THE TREATMENT OF DNAPL USING EMULSIFIED ZERO-VALENT IRON (DNAPL CONFERENCE)

EPA Science Inventory

A pilot scale field demonstration of dense non-aqueous phase liquids (DNAPL) treatment using emulsified zero-valent iron (EZVI) is being conducted at Parris Island Marine Corps Recruit Depot (MCRD), Parris Island SC. The demonstration is being conducted by Geosyntec, the Nationa...

DNAPL REMOVAL MECHANISMS AND MASS TRANSFER CHARACTERISTICS DURING COSOLVENT-AIR FLOODING

EPA Science Inventory

The concurrent injection of cosolvent and air, a cosolvent-air (CA) flood was recently suggested for a dense nonaqueous phase liquid (DNAPL) remediation technology. The objectives of this study were to elucidate the DNAPL removal mechanisms of the CA flood and to quantify mass t...

FIELD EVALUATION OF THE TREATMENT OF DNAPL USING EMULSIFIED ZERO-VALENT IRON (Battelle Conference)

EPA Science Inventory

A pilot scale field demonstration of dense non-aqueous phase liquids (DNAPL) treatment using emulsified zero-valent iron (EZVI) was conducted at Parris Island Marine Corps Recruit Depot (MCRD), Parris Island, SC. The EZVI technology was developed at the University of Central Fl...

FIELD EVALUATION OF THE TREATMENT OF DNAPL USING EMULSIFIED ZERO-VALENT IRON (BATTELLE PRESENTATION)

EPA Science Inventory

A pilot scale field demonstration of dense non-aqueous phase liquids (DNAPL) treatment using emulsified zero-valent iron (EZVI) is being conducted at Parris Island Marine Corps Recruit Depot (MCRD), Parris Island SC. The EZVI technology was developed at the University of Central ...

THE HYDROCARBON SPILL SCREENING MODEL (HSSM), VOLUME 2: THEORETICAL BACKGROUND AND SOURCE CODES

EPA Science Inventory

A screening model for subsurface release of a nonaqueous phase liquid which is less dense than water (LNAPL) is presented. The model conceptualizes the release as consisting of 1) vertical transport from near the surface to the capillary fringe, 2) radial spreading of an LNAPL l...

MEASUREMENT AND USE OF CONTAMINANT FLUX AS AN ASSESSMENT TOOL FOR DNAPL REMEDIAL PERFORMANCE

EPA Science Inventory

Current remedial techniques are unable to completely eliminate all dense nonaqueous phase liquid (DNAPL) from source zone areas at most sites, and conflicting views on the benefits of partial DNAPL source zone remediation exist in the literature. A comparison of contaminant flux...

EVALUATION OF GEOPHYSICAL METHODS FOR THE DETECTION OF SUBSURFACE TETRACHLOROETHYLENE (PCE) IN CONTROLLED SPILL EXPERIMENTS

EPA Science Inventory

Tetrachloroethylene (PCE), typically used as a dry cleaning solvent, is a predominant contaminant in the subsurface at Superfund Sites. PCE is a dense non-aqueous phase liquid (DNAPL) that migrates downward into the earth, leaving behind areas of residual saturation and free prod...

DEMONSTRATION OF BIODEGRADATION OF DENSE, NONAQUEOUS-PHASE LIQUIDS (DNAPL)THROUGH BIOSTIMULATION AND BIOAUGMENTATION AT LAUNCH COMPLEX 34 IN CAPE CANAVERAL AIR FORCE STATION, FLORIDA

EPA Science Inventory

Biostimulation involves stimulating indigenous microbial cultures by adding nutrients whereas bioaugmentation involves introducing microbial cultures that are particularly adept at degrading these contaminants into the target aquifer. This demonstration involved biostimulation fo...

THE MEASUREMENT AND USE OF CONTAMINANT FLUX AS AN ASSESSMENT TOOL FOR DNAPL REMEDIAL PERFORMANCE

EPA Science Inventory

Current remedial techniques are unable to completely eliminate all dense nonaqueous phase liquid (DNAPL) from source zone areas at most sites, and conflicting views on the benefits of partial DNAPL source zone remediation exist in the literature. A comparison of contaminant flux...

The Use of Molecular and Genomic Techniques Applied to Microbial Diversity, Community Structure, and Activities at DNAPL and Metal Contaminated Sites

EPA Science Inventory

A wide variety of in situ subsurface remediation strategies have been developed to mitigate contamination by chlorinated solvent dense non-aqueous phase liquids (DNAPLS) and metals. Geochemical methods include: zerovalent iron emplacement, various electrolytic applications, elec...

Use Of Statistical Tools To Evaluate The Reductive Dechlorination Of High Levels Of TCE In Microcosm Studies

EPA Science Inventory

A large, multi-laboratory microcosm study was performed to select amendments for supporting reductive dechlorination of high levels of trichloroethylene (TCE) found at an industrial site in the United Kingdom (UK) containing dense non-aqueous phase liquid (DNAPL) TCE. The study ...

Method of fabrication of supported liquid membranes

DOEpatents

Luebke, David R.; Hong, Lei; Myers, Christina R.

2015-11-17

Method for the fabrication of a supported liquid membrane having a dense layer in contact with a porous layer, and a membrane liquid layer within the interconnected pores of the porous layer. The dense layer is comprised of a solidified material having an average pore size less than or equal to about 0.1 nanometer, while the porous layer is comprised of a plurality of interconnected pores and has an average pore size greater than 10 nanometers. The supported liquid membrane is fabricated through the preparation of a casting solution of a membrane liquid and a volatile solvent. A pressure difference is established across the dense layer and porous layer, the casting solution is applied to the porous layer, and the low viscosity casting solution is drawn toward the dense layer. The volatile solvent is evaporated and the membrane liquid precipitates, generating a membrane liquid layer in close proximity to the dense layer.

Microgravity fluid management requirements of advanced solar dynamic power systems

NASA Technical Reports Server (NTRS)

Migra, Robert P.

1987-01-01

The advanced solar dynamic system (ASDS) program is aimed at developing the technology for highly efficient, lightweight space power systems. The approach is to evaluate Stirling, Brayton and liquid metal Rankine power conversion systems (PCS) over the temperature range of 1025 to 1400K, identify the critical technologies and develop these technologies. Microgravity fluid management technology is required in several areas of this program, namely, thermal energy storage (TES), heat pipe applications and liquid metal, two phase flow Rankine systems. Utilization of the heat of fusion of phase change materials offers potential for smaller, lighter TES systems. The candidate TES materials exhibit large volume change with the phase change. The heat pipe is an energy dense heat transfer device. A high temperature application may transfer heat from the solar receiver to the PCS working fluid and/or TES. A low temperature application may transfer waste heat from the PCS to the radiator. The liquid metal Rankine PCS requires management of the boiling/condensing process typical of two phase flow systems.

Group evaporation

NASA Technical Reports Server (NTRS)

Shen, Hayley H.

1991-01-01

Liquid fuel combustion process is greatly affected by the rate of droplet evaporation. The heat and mass exchanges between gas and liquid couple the dynamics of both phases in all aspects: mass, momentum, and energy. Correct prediction of the evaporation rate is therefore a key issue in engineering design of liquid combustion devices. Current analytical tools for characterizing the behavior of these devices are based on results from a single isolated droplet. Numerous experimental studies have challenged the applicability of these results in a dense spray. To account for the droplets' interaction in a dense spray, a number of theories have been developed in the past decade. Herein, two tasks are examined. One was to study how to implement the existing theoretical results, and the other was to explore the possibility of experimental verifications. The current theoretical results of group evaporation are given for a monodispersed cluster subject to adiabatic conditions. The time evolution of the fluid mechanic and thermodynamic behavior in this cluster is derived. The results given are not in the form of a subscale model for CFD codes.

Ultrafast vibrational dynamics of BH{sub 4}{sup −} ions in liquid and crystalline environments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tyborski, Tobias, E-mail: tyborski@mbi-berlin.de; Costard, Rene; Woerner, Michael

2014-07-21

Ultrafast vibrational dynamics of BH{sub 4}{sup −} ions, the key units in boron hydride materials for hydrogen storage, are studied in diluted polar liquid solution and in NaBH{sub 4} crystallites by femtosecond infrared spectroscopy. Two-color pump-probe experiments reveal v = 1 lifetimes of 3 ps for the asymmetric BH{sub 4}{sup −} stretching mode ν{sub 3} and of 3.6 ps for the asymmetric bending mode ν{sub 4} in the solvent isopropylamine. We provide direct evidence for the BH{sub 4}{sup −} stretching relaxation pathway via the asymmetric bending mode ν{sub 4} by probing the latter after femtosecond excitation of ν{sub 3}. Pump-probemore » traces measured in the crystalline phase show signatures of radiative coupling between the densely packed BH{sub 4}{sup −} oscillators, most clearly manifested in an accelerated subpicosecond depopulation of the v = 1 state of the ν{sub 4} mode. The radiative decay is followed by incoherent vibrational relaxation similar to the liquid phase. The excess energy released in the relaxation processes of the BH{sub 4}{sup −} intramolecular modes is transferred into the environment with thermal pump-probe signals being much more pronounced in the dense solid than in the diluted solution.« less

Laboratory investigation of flux reduction from dense non-aqueous phase liquid (DNAPL) partial source zone remediation by enhanced dissolution

NASA Astrophysics Data System (ADS)

Kaye, Andrew J.; Cho, Jaehyun; Basu, Nandita B.; Chen, Xiaosong; Annable, Michael D.; Jawitz, James W.

2008-11-01

This study investigated the benefits of partial removal of dense nonaqueous phase liquid (DNAPL) source zones using enhanced dissolution in eight laboratory scale experiments. The benefits were assessed by characterizing the relationship between reductions in DNAPL mass and the corresponding reduction in contaminant mass flux. Four flushing agents were evaluated in eight controlled laboratory experiments to examine the effects of displacement fluid property contrasts and associated override and underride on contaminant flux reduction ( Rj) vs. mass reduction ( Rm) relationships ( Rj( Rm)): 1) 50% ethanol/50% water (less dense than water), 2) 40% ethyl-lactate/60% water (more dense than water), 3) 18% ethanol/26% ethyl-lactate/56% water (neutrally buoyant), and 4) 2% Tween-80 surfactant (also neutrally buoyant). For each DNAPL architecture evaluated, replicate experiments were conducted where source zone dissolution was conducted with a single flushing event to remove most of the DNAPL from the system, and with multiple shorter-duration floods to determine the path of the Rj( Rm) relationship. All of the single-flushing experiments exhibited similar Rj( Rm) relationships indicating that override and underride effects associated with cosolvents did not significantly affect the remediation performance of the agents. The Rj( Rm) relationship of the multiple injection experiments for the cosolvents with a density contrast with water tended to be less desirable in the sense that there was less Rj for a given Rm. UTCHEM simulations supported the observations from the laboratory experiments and demonstrated the capability of this model to predict Rj( Rm) relationships for non-uniformly distributed NAPL sources.

ENHANCED CONTACT OF COSOLVENT AND DNAPL IN POROUS MEDIA BY CONCURRENT INJECTION OF COSOLVENT AND AIR

EPA Science Inventory

Remediation of sites contaminated by dense nonaqueous phase liquids (DNAPLS) is a major
environmental problem and cosolvent flooding is proposed as a remedial alternative. The
efficacy of cosolvent flooding is a function of the degree of mixing between the injected
remed...

Zero-Valent Metal Emulsion for Reductive Dehalogenation of DNAPLs

NASA Technical Reports Server (NTRS)

Reinhart, Debra R. (Inventor); Clausen, Christian (Inventor); Gelger, Cherie L. (Inventor); Quinn, Jacqueline (Inventor); Brooks, Kathleen (Inventor)

2006-01-01

A zero-valent metal emulsion is used to dehalogenate solvents, such as pooled dense non-aqueous phase liquids (DNAPLs), including trichloroethylene (TCE). The zero-valent metal emulsion contains zero-valent metal particles, a surfactant, oil and water, The preferred zero-valent metal particles are nanoscale and microscale zero-valent iron particles.

Zero-Valent Metal Emulsion for Reductive Dehalogenation of DNAPLS

NASA Technical Reports Server (NTRS)

Reinhart, Debra R. (Inventor); Clausen, Christian (Inventor); Geiger, Cherie L. (Inventor); Quinn, Jacqueline (Inventor); Brooks, Kathleen (Inventor)

2003-01-01

A zero-valent metal emulsion is used to dehalogenate solvents, such as pooled dense non-aqueous phase liquids (DNAPLs), including trichloroethylene (TCE). The zero-valent metal emulsion contains zero-valent metal particles, a surfactant, oil and water. The preferred zero-valent metal particles are nanoscale and microscale zero-valent iron particles

Changes in Contaminant Mass Discharge from DNAPL Source Mass Depletion: Evaluation at Two Field Sites

EPA Science Inventory

Changes in contaminant fluxes resulting from aggressive remediation of dense nonaqueous phase liquid (DNAPL) source zone were investigated at two sites, one at Hill Air Force Base (AFB), Utah, and the other at Ft. Lewis Military Reservation, WA. Passive Flux Meters (PFM) and a va...

INTERAGENCY DNAPL CONSORTIUM: A COMMITMENT TO SUCCESSFULLY ACCOMPLISH A COMPLEX DEMONSTRATION OF INNOVATIVE TECHNOLOGIES FOR DNAPL REMEDIATION

EPA Science Inventory

The USDOE, Office of Science and Technology (DOE-OST); USEPA/NRMRL; National Aeronautics and Space Administration, Kennedy Space Center (NASA-KSC); and the USAir Force 45th Space Wing (rtth Space Wing) have combined resources to form the Interagency Dense Non Aqueous Phase Liquid...

REMOVAL OF ISOPROPHYL ALCOHOL FROM A SURFACTANT-BASED SOIL REMEDIATION FLUID BY PERVAPORATION: PILOT SCALE FIELD DEMONSTRATION

EPA Science Inventory

The USEPA, NRMRL participated in a field demonstration of a surfactant enhanced aquifer remediation (SEAR) process. The main purpose of this field demonstration was to combine and optimize the subsurface extraction of a dense non-aqueous phase liquid with the above ground deconta...

AN EXPERIMENTAL ASSESSMENT OF THE IMPACTS OF PARTIAL DNAPL SOURCE ZONE DELETION USING SPARGING AS A REMEDIATION TECHNIQUE

EPA Science Inventory

The contamination of the subsurface environment by dense non-aqueous phase liquids (DNAPL) is a wide-spread problem that poses a significant threat to soil and groundwater quality. Implementing different remediation techniques can lead to the removal of a high fraction of the DNA...

76 FR 510 - National Oil and Hazardous Substances Pollution Contingency Plan; National Priorities List...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-05

... dense non-aqueous phase liquid (DNAPL) containing organic compounds that slowly dissolve into the ground... controls restricting ground water extraction within the northern 62-acre parcel. Soil Contamination As... preliminary remediation goal (PRG) of 8 mg/kg benzo(a)pyrene (BAP) equivalent had not yet been derived...

Integration of Flux-Based Methods and Triad Principles for DNAPL Site Management, Part II: Review of Flux Measurement Methods

EPA Science Inventory

Managing dense nonaqueous phase liquid (DNAPL) contaminated sites continues to be among the most pressing environmental problems currently faced. One approach that has recently been investigated for use in DNAPL site characterization and remediation is mass flux (mass per unit ar...

Dense Nonaqueous Phase Liquids at Former Manufactured Gas Plants: Challenges to Modeling and Remediation

PubMed Central

Birak, P.S.; Miller, C.T.

2008-01-01

The remediation of dense non-aqueous phase liquids (DNAPLs) in porous media continues to be one of the most challenging problems facing environmental scientists and engineers. Of all the environmentally relevant DNAPLs, tars in the subsurface at former manufactured gas plants (FMGP’s) pose one of the biggest challenges due to their complex chemical composition and tendency to alter wettability. To further our understanding of these complex materials, we consulted historic documentation to evaluate the impact of gas manufacturing on the composition and physicochemical nature of the resulting tars. In the recent literature, most work to date has been focused in a relatively narrow portion of the expected range of tar materials, which has yielded a bias toward samples of relatively low viscosity and density. In this work, we consider the dissolution and movement of tars in the subsurface, models used to predict these phenomena, and approaches used for remediation. We also explore the open issues and detail important gaps in our fundamental understanding of these extraordinarily complex systems that must be resolved to reach a mature level of understanding. PMID:19176266

Single domain YBa2Cu3Oy thick films on metallic substrates

NASA Astrophysics Data System (ADS)

Reddy, E. S.; Noudem, J. G.; Goodilin, E. A.; Tarka, M.; Schmitz, G. J.

2003-03-01

The fabrication of single domain YBa2Cu3Oy (123) thick films (10-100 mum) on metallic substrates is reported. The process involves the formation of the 123 phase by a peritectic reaction between an air-brushed dense Y2BaCuO5 (211) layer on a Ag12Pd substrate and infiltrated liquid phases containing barium cuprates and copper oxides. Single domain growth is achieved by seeding the green films with a c-axis oriented NdBa2Cu3Oy crystal prior to processing. The maximum processing temperatures are lowered to 970 °C by modifying the characteristics of the liquid phases meant for infiltration by addition of Ag powder. The fabrication technique, processing conditions for single domain growth and the resulting microstructures are discussed.

Critical point in the phase diagram of primordial quark-gluon matter from black hole physics

NASA Astrophysics Data System (ADS)

Critelli, Renato; Noronha, Jorge; Noronha-Hostler, Jacquelyn; Portillo, Israel; Ratti, Claudia; Rougemont, Romulo

2017-11-01

Strongly interacting matter undergoes a crossover phase transition at high temperatures T ˜1012 K and zero net-baryon density. A fundamental question in the theory of strong interactions, QCD, is whether a hot and dense system of quarks and gluons displays critical phenomena when doped with more quarks than antiquarks, where net-baryon number fluctuations diverge. Recent lattice QCD work indicates that such a critical point can only occur in the baryon dense regime of the theory, which defies a description from first principles calculations. Here we use the holographic gauge/gravity correspondence to map the fluctuations of baryon charge in the dense quark-gluon liquid onto a numerically tractable gravitational problem involving the charge fluctuations of holographic black holes. This approach quantitatively reproduces ab initio results for the lowest order moments of the baryon fluctuations and makes predictions for the higher-order baryon susceptibilities and also for the location of the critical point, which is found to be within the reach of heavy-ion collision experiments.

Lattice Stability and Interatomic Potential of Non-equilibrium Warm Dense Gold

NASA Astrophysics Data System (ADS)

Chen, Z.; Mo, M.; Soulard, L.; Recoules, V.; Hering, P.; Tsui, Y. Y.; Ng, A.; Glenzer, S. H.

2017-10-01

Interatomic potential is central to the calculation and understanding of the properties of matter. A manifestation of interatomic potential is lattice stability in the solid-liquid transition. Recently, we have used frequency domain interferometry (FDI) to study the disassembly of ultrafast laser heated warm dense gold nanofoils. The FDI measurement is implemented by a spatial chirped single-shot technique. The disassembly of the sample is characterized by the change in phase shift of the reflected probe resulted from hydrodynamic expansion. The experimental data is compared with the results of two-temperature molecular dynamic simulations based on a highly optimized embedded-atom-method (EAM) interatomic potential. Good agreement is found for absorbed energy densities of 0.9 to 4.3MJ/kg. This provides the first demonstration of the applicability of an EAM interatomic potential in the non-equilibrium warm dense matter regime. The MD simulations also reveal the critical role of pressure waves in solid-liquid transition in ultrafast laser heated nanofoils. This work is supported by DOE Office of Science, Fusion Energy Science under FWP 100182, and SLAC LDRD program.

Efficient chemical potential evaluation with kinetic Monte Carlo method and non-uniform external potential: Lennard-Jones fluid, liquid, and solid

NASA Astrophysics Data System (ADS)

Ustinov, E. A.

2017-07-01

The aim of this paper is to present a method of a direct evaluation of the chemical potential of fluid, liquid, and solid with kinetic Monte Carlo simulation. The method is illustrated with the 12-6 Lennard-Jones (LJ) system over a wide range of density and temperature. A distinctive feature of the methodology used in the present study is imposing an external potential on the elongated simulation box to split the system into two equilibrium phases, one of which is substantially diluted. This technique provides a reliable direct evaluation of the chemical potential of the whole non-uniform system (including that of the uniformly distributed dense phase in the central zone of the box), which, for example, is impossible in simulation of the uniform crystalline phase. The parameters of the vapor-liquid, liquid-solid, and fluid-solid transitions have been reliably determined. The chemical potential and the pressure are defined as thermodynamically consistent functions of density and temperature separately for the liquid and the solid (FCC) phases. It has been shown that in two-phase systems separated by a flat interface, the crystal melting always occurs at equilibrium conditions. It is also proved that in the limit of zero temperature, the specific heat capacity of an LJ crystal at constant volume is exactly 3Rg (where Rg is the gas constant) without resorting to harmonic oscillators.

Experimental investigation on flow patterns of RP-3 kerosene under sub-critical and supercritical pressures

NASA Astrophysics Data System (ADS)

Wang, Ning; Zhou, Jin; Pan, Yu; Wang, Hui

2014-02-01

Active cooling with endothermic hydrocarbon fuel is proved to be one of the most promising approaches to solve the thermal problem for hypersonic aircraft such as scramjet. The flow patterns of two-phase flow inside the cooling channels have a great influence on the heat transfer characteristics. In this study, phase transition processes of RP-3 kerosene flowing inside a square quartz-glass tube were experimentally investigated. Three distinct phase transition phenomena (liquid-gas two phase flow under sub-critical pressures, critical opalescence under critical pressure, and corrugation under supercritical pressures) were identified. The conventional flow patterns of liquid-gas two phase flow, namely bubble flow, slug flow, churn flow and annular flow are observed under sub-critical pressures. Dense bubble flow and dispersed flow are recognized when pressure is increased towards the critical pressure whilst slug flow, churn flow and annular flow disappear. Under critical pressure, the opalescence phenomenon is observed. Under supercritical pressures, no conventional phase transition characteristics, such as bubbles are observed. But some kind of corrugation appears when RP-3 transfers from liquid to supercritical. The refraction index variation caused by sharp density gradient near the critical temperature is thought to be responsible for this corrugation.

Biodegradation of Dense Non-Aqueous Phase Liquids (DNAPL) Through Bioaugmentation of Source Areas - Dover National Test Site, Dover, Delaware

DTIC Science & Technology

2008-08-01

the distribution of DNAPL. The OSU research team evaluated the use of radon as a partitioning groundwater tracer. The DNAPL release fulfilled one...close to the source area generated more PCE equivalent mass over time. The exponential decay from the fitted line (predicted PCE, orange line in each

THE VELOCITY OF DNAPL FINGERING IN WATER-SATURATED POROUS MEDIA LABORATORY EXPERIMENTS AND A MOBILE-IMMOBILE-ZONE MODEL. (R826157)

EPA Science Inventory

Dense nonaqueous phase liquids (DNAPLs) are immiscible with water and can give rise to highly fingered fluid distributions when infiltrating through water-saturated porous media. In this paper, a conceptual mobile_¯immobile_¯zone (MIZ) model is pr...

A two-phase flow model for submarine granular flows: With an application to collapse of deeply-submerged granular columns

NASA Astrophysics Data System (ADS)

Lee, Cheng-Hsien; Huang, Zhenhua

2018-05-01

The collapse process of a submerged granular column is strongly affected by its initial packing. Previous models for particle response time, which is used to quantify the drag force between the solid and liquid phases in rheology-based two-phase flow models, have difficulty in simulating the collapse process of granular columns with different initial concentrations (initial packing conditions). This study introduces a new model for particle response time, which enables us to satisfactorily model the drag force between the two phases for a wide range of volume concentration. The present model can give satisfactory results for both loose and dense packing conditions. The numerical results have shown that (i) the initial packing affects the occurrence of contractancy/diltancy behavior during the collapse process, (ii) the general buoyancy and drag force are strongly affected by the initial packing through contractancy and diltancy, and (iii) the general buoyancy and drag force can destabilize the granular material in loose packing condition but stabilize the granular material in dense packing condition. The results have shown that the collapse process of a densely-packed granular column is more sensitive to particle response time than that of a loosely-packed granular column.

Phase change material storage heater

DOEpatents

Goswami, D. Yogi; Hsieh, Chung K.; Jotshi, Chand K.; Klausner, James F.

1997-01-01

A storage heater for storing heat and for heating a fluid, such as water, has an enclosure defining a chamber therein. The chamber has a lower portion and an upper portion with a heating element being disposed within the enclosure. A tube through which the fluid flows has an inlet and an outlet, both being disposed outside of the enclosure, and has a portion interconnecting the inlet and the outlet that passes through the enclosure. A densely packed bed of phase change material pellets is disposed within the enclosure and is surrounded by a viscous liquid, such as propylene glycol. The viscous liquid is in thermal communication with the heating element, the phase change material pellets, and the tube and transfers heat from the heating element to the pellets and from the pellets to the tube. The viscous fluid has a viscosity so that the frictional pressure drop of the fluid in contact with the phase change material pellets substantially reduces vertical thermal convection in the fluid. As the fluid flows through the tube heat is transferred from the viscous liquid to the fluid flowing through the tube, thereby heating the fluid.

Electrostatic-Assisted Liquefaction of Porous Carbons

DOE PAGES

Li, Peipei; Schott, Jennifer A.; Zhang, Jinshui; ...

2017-10-10

Porous liquids are a newly developed porous material that combine unique fluidity with permanent porosity, which exhibit promising functionalities for a variety of applications. However, the apparent incompatibility between fluidity and permanent porosity makes the stabilization of porous nanoparticle with still empty pores in the dense liquid phase a significant challenging. For this study, by exploiting the electrostatic interaction between carbon networks and polymerized ionic liquids, we demonstrate that carbon-based porous nanoarchitectures can be well stabilized in liquids to afford permanent porosity, and thus opens up a new approach to prepare porous carbon liquids. Furthermore, we hope this facile synthesismore » strategy can be widely applicated to fabricate other types of porous liquids, such as those (e.g., carbon nitride, boron nitride, metal–organic frameworks, covalent organic frameworks etc.) also having the electrostatic interaction with polymerized ionic liquids, evidently advancing the development and understanding of porous liquids.« less

Coaxial gas-liquid jet: Dispersion and dynamics

NASA Astrophysics Data System (ADS)

Poplavski, S. V.; Boiko, V. M.; Lotov, V. V.; Nesterov, A. Yu.

2018-03-01

The aim of the work was to study the pneumatic spraying of liquids in a gas jet with reference to the creation of high-flow nozzles. A complex experimental study of a coaxial jet was performed with a central supply of liquid beyond the cutoff of the confusor nozzle at subsonic and supersonic flow conditions. A set of optical methods for flows diagnostics that can function in dense gas-liquid jets provides new data on the structure of the spray: the gas velocity field without liquid, shadow visualization of the geometry and wave structure of the jet with and without fluid, the velocity profiles of the liquid phase, size distribution of the droplets. The key parameters of the liquid breakup processes for the We numbers are obtained. A dynamic approach to the determination of average droplet sizes is considered. A physical model of a coaxial gas-liquid jet with a central fluid supply is proposed.

Synchrotron X-Ray Interrogation of Turbulent Gas–Liquid Mixing in Cryogenic Rocket Sprays

DOE PAGES

Radke, Christopher D.; McManamen, J. Patrick; Kastengren, Alan L.; ...

2017-07-31

The atomization and vaporization of liquid jets within turbulent gaseous flows are characterized by the mixing phenomena occurring over a wide range of spatiotemporal scales. This creates a complex, turbid medium that is not easily interrogated using conventional optical-measurement techniques. In the current study, the optically dense, multiphase flow created by a cryogenic liquid jet injected into a turbulent gaseous coflow is probed using high-speed (MHz) X-ray radiography from a focused, narrowband synchrotron source to resolve the internal cascade of scales and the evolution to isotropic, homogeneous turbulence. Changes in the spectral characteristics for different flow conditions are furthermore correlatedmore » with changes in the spatial distributions of the liquid and gas phases within the spray using simultaneous X-ray radiography and tracer (krypton) fluorescence. It is found that an increase in entrainment and mixing infers an evolution in spectral characteristics toward the well-known -5/3 law of energy dissipation in the context of the classical Kolmogorov theory. Finally, these data demonstrate the utility of the synchrotron-based X-ray radiography and fluorescence for uncovering the internal, turbulent mixing processes in multiphase and optically dense flows.« less

Synchrotron X-Ray Interrogation of Turbulent Gas–Liquid Mixing in Cryogenic Rocket Sprays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radke, Christopher D.; McManamen, J. Patrick; Kastengren, Alan L.

The atomization and vaporization of liquid jets within turbulent gaseous flows are characterized by the mixing phenomena occurring over a wide range of spatiotemporal scales. This creates a complex, turbid medium that is not easily interrogated using conventional optical-measurement techniques. In the current study, the optically dense, multiphase flow created by a cryogenic liquid jet injected into a turbulent gaseous coflow is probed using high-speed (MHz) X-ray radiography from a focused, narrowband synchrotron source to resolve the internal cascade of scales and the evolution to isotropic, homogeneous turbulence. Changes in the spectral characteristics for different flow conditions are furthermore correlatedmore » with changes in the spatial distributions of the liquid and gas phases within the spray using simultaneous X-ray radiography and tracer (krypton) fluorescence. It is found that an increase in entrainment and mixing infers an evolution in spectral characteristics toward the well-known -5/3 law of energy dissipation in the context of the classical Kolmogorov theory. Finally, these data demonstrate the utility of the synchrotron-based X-ray radiography and fluorescence for uncovering the internal, turbulent mixing processes in multiphase and optically dense flows.« less

Laboratory investigation of flux reduction from dense non-aqueous phase liquid (DNAPL) partial source zone remediation by enhanced dissolution.

PubMed

Kaye, Andrew J; Cho, Jaehyun; Basu, Nandita B; Chen, Xiaosong; Annable, Michael D; Jawitz, James W

2008-11-14

This study investigated the benefits of partial removal of dense nonaqueous phase liquid (DNAPL) source zones using enhanced dissolution in eight laboratory scale experiments. The benefits were assessed by characterizing the relationship between reductions in DNAPL mass and the corresponding reduction in contaminant mass flux. Four flushing agents were evaluated in eight controlled laboratory experiments to examine the effects of displacement fluid property contrasts and associated override and underride on contaminant flux reduction (R(j)) vs. mass reduction (R(m)) relationships (R(j)(R(m))): 1) 50% ethanol/50% water (less dense than water), 2) 40% ethyl-lactate/60% water (more dense than water), 3) 18% ethanol/26% ethyl-lactate/56% water (neutrally buoyant), and 4) 2% Tween-80 surfactant (also neutrally buoyant). For each DNAPL architecture evaluated, replicate experiments were conducted where source zone dissolution was conducted with a single flushing event to remove most of the DNAPL from the system, and with multiple shorter-duration floods to determine the path of the R(j)(R(m)) relationship. All of the single-flushing experiments exhibited similar R(j)(R(m)) relationships indicating that override and underride effects associated with cosolvents did not significantly affect the remediation performance of the agents. The R(j)(R(m)) relationship of the multiple injection experiments for the cosolvents with a density contrast with water tended to be less desirable in the sense that there was less R(j) for a given R(m). UTCHEM simulations supported the observations from the laboratory experiments and demonstrated the capability of this model to predict R(j)(R(m)) relationships for non-uniformly distributed NAPL sources.

Final report for demonstration of in situ oxidation of DNAPL using the Geo-Cleanse technology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jerome, K.M.; Riha, B.; Looney, B.B.

1997-09-23

At large industrial sites like the A/M Area of the Savannah River Site (SRS), undissolved dense non-aqueous phase liquid (DNAPL) in soil and groundwater is the most significant barrier to successful clean up. DNAPL acts as a reservoir that will continue to generate contaminant levels far above remediation concentration goals well into the future.

DEMONSTRATION OF PILOT-SCALE PREVAPORATION SYSTEMS FOR VOLATILE ORGANIC COMPOUND REMOVAL FROM A SURFACTANT ENHANCED AQUIFER REMEDIATION FLUID. I. SPIRAL WOUND MEMBRANE MODULES

EPA Science Inventory

During the summer of 1996, a pilot-scale demonstration of a surfactant enhanced aquifer remediation (SEAR) process for removal of dense non-aqueous phase liquids (DNAPLs) from soils was conducted at Hill Air Force Base in Layton, Utah. Five thousand gallons of the extracted DNAP...

Biodegradation of Dense Non-Aqueous Phase Liquids (DNAPLs) Through Bioaugmentation of Source Areas Dover National Test Site, Dover, Delaware

DTIC Science & Technology

2007-05-01

Bioaugmentation of Source Areas Dover National Test Site, Dover, Delaware ESTCP Project Number ER-0008 May 2007 Revision 3.0 ER0008 ii...2007.05.24 Revision 3.0 TABLE OF CONTENTS Page 1. INTRODUCTION...ER0008 iii 2007.05.24 Revision 3.0 3.5 Testing and Evaluation Plan

A New Unsteady Model for Dense Cloud Cavitation in Cryogenic Fluids

NASA Technical Reports Server (NTRS)

Hosangadi, Ashvin; Ahuja, Vineet

2005-01-01

Contents include the following: Background on thermal effects in cavitation. Physical properties of hydrogen. Multi-phase cavitation with thermal effect. Solution procedure. Cavitation model overview. Cavitation source terms. New cavitation model. Source term for bubble growth. One equation les model. Unsteady ogive simulations: liquid nitrogen. Unsteady incompressible flow in a pipe. Time averaged cavity length for NACA15 flowfield.

Estimating Mass Discharge From Dense Nonaqueous Phase Liquid Source Zones Using Upscaled Mass Transfer Coefficients: An Evaluation Using Multiphase Numerical Simulations

DTIC Science & Technology

2006-11-28

nonuniform permeability fields using the University of Texas Chemical Flooding Simulator ( UTCHEM 9.0) [Center for Petroleum and Geosystems Engineering...Engineering (2000), UTCHEM , Ver- sion 9.0 technical documentation, Univ. of Tex. at Austin, Austin. Chambers, J. E., M. H. Loke, R. D. Ogilvy, and P. I

On the nature of intramolecular vibrational energy transfer in dense molecular environments

NASA Astrophysics Data System (ADS)

von Benten, Rebekka S.; Abel, Bernd

2010-12-01

Transient femtosecond-IR-pump-UV-absorption probe-spectroscopy has been employed to shed light on the nature of intramolecular vibrational energy transfer (IVR) in dense molecular environments ranging from the diluted gas phase to the liquid. A general feature in our experiments and those of others is that IVR proceeds via multiple timescales if overtones or combination vibrations of high frequency modes are excited. It has been found that collisions enhance IVR if its (slower) timescales can compete with collisions. This enhancement is, however, much more weaker and rather inefficient as opposed to the effect of collisions on intermolecular energy transfer which is well known. In a series of experiments we found that IVR depends not significantly on the average energy transferred in a collision but rather on the number of collisions. The collisions are much less efficient in affecting IVR than VET. We conclude that collision induced broadening of vibrational energy levels reduces the energy gaps and enhances existing couplings between tiers. The present results are an important step forward to rationalize and understand apparently different and not consistent results from different groups on different molecular systems between gas and liquid phases.

A New Unsteady Model for Dense Cloud Cavitation in Cryogenic Fluids

NASA Technical Reports Server (NTRS)

Hosangadi, A.; Ahuja, V.

2005-01-01

A new unsteady, cavitation model is presented wherein the phase change process (bubble growth/collapse) is coupled to the acoustic field in a cryogenic fluid. It predicts the number density and radius of bubbles in vapor clouds by tracking both the aggregate surface area and volume fraction of the cloud. Hence, formulations for the dynamics of individual bubbles (e.g. Rayleigh-Plesset equation) may be integrated within the macroscopic context of a dense vapor cloud i.e. a cloud that occupies a significant fraction of available volume and contains numerous bubbles. This formulation has been implemented within the CRUNCH CFD, which has a compressible real fluid formulation, a multi-element, unstructured grid framework, and has been validated extensively for liquid rocket turbopump inducers. Detailed unsteady simulations of a cavitating ogive in liquid nitrogen are presented where time-averaged mean cavity pressure and temperature depressions due to cavitation are compared with experimental data. The model also provides the spatial and temporal history of the bubble size distribution in the vapor clouds that are shed, an important physical parameter that is difficult to measure experimentally and is a significant advancement in the modeling of dense cloud cavitation.

Liquid-liquid phase separation causes high turbidity and pressure during low pH elution process in Protein A chromatography.

PubMed

Luo, Haibin; Lee, Nacole; Wang, Xiangyang; Li, Yuling; Schmelzer, Albert; Hunter, Alan K; Pabst, Timothy; Wang, William K

2017-03-10

Turbid elution pools and high column back pressure are common during elution of monoclonal antibodies (mAbs) by acidic pH in Protein A chromatography. This phenomenon has been historically attributed to acid-induced precipitation of incorrectly folded or pH-sensitive mAbs and host cell proteins (HCPs). In this work, we propose a new mechanism that may account for some observations of elution turbidity in Protein A chromatography. We report several examples of turbidity and high column back pressure occurring transiently under a short course of neutral conditions during Protein A elution. A systematic study of three mAbs displaying this behavior revealed phase separation characterized by liquid drops under certain conditions including neutral pH, low ionic strength, and high protein concentration. These liquid droplets caused solution turbidity and exhibited extremely high viscosity, resulting in high column back pressure. We found out that the droplets were formed through liquid-liquid phase separation (LLPS) as a result of protein self-association. We also found multiple factors, including pH, temperature, ionic strength, and protein concentration can affect LLPS behaviors. Careful selection of process parameters during protein A elution, including temperature, flow rate, buffer, and salt can inhibit formation of a dense liquid phase, reducing both turbidity (by 90%) and column back pressure (below 20 pounds per square inch). These findings provide both mechanistic insight and practical mitigation strategies for Protein A chromatography induced LLPS. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

Containerless low gravity processing of glass forming and immiscible alloys

NASA Technical Reports Server (NTRS)

Andrews, J. Barry; Briggs, Craig; Robinson, M. B.

1990-01-01

Under normal one-g conditions immiscible alloys segregate extensively during solidification due to sedimentation of the more dense of the immiscible liquid phases. Immiscible (hypermonotectic) gold-rhodium alloys were processed in the 100 meter drop tube under low gravity, containerless conditions to determine the feasibility of producing dispersed structures. Three alloy compositions were utilized. Alloys containing 10 percent by volume of the gold-rich hypermonotectic phase exhibited a tendency for the gold-rich liquid to wet the outer surface of the samples. This wetting tendency led to extensive segregation in several cases. Alloys containing 80 and 90 percent by volume of the gold-rich phase possessed completely different microstructures from the 10 percent samples when processed under low-g, containerless conditions. Several samples exhibited microstructures consisting of well dispersed 2 to 3 microns diameter rhodium-rich spheres in a gold-rich matrix.

Universal scaling laws of diffusion in two-dimensional granular liquids.

PubMed

Wang, Chen-Hung; Yu, Szu-Hsuan; Chen, Peilong

2015-06-01

We find, in a two-dimensional air table granular system, that the reduced diffusion constant D* and excess entropy S(2) follow two distinct scaling laws: D*∼e(S(2)*) for dense liquids and D∼e(3S(2)*) for dilute ones. The scaling for dense liquids is very similar to that for three-dimensional liquids proposed previously [M. Dzugutov, Nature (London) 381, 137 (1996); A. Samanta et al., Phys. Rev. Lett. 92, 145901 (2004)]. In the dilute regime, a power law [Y. Rosenfeld, J. Phys.: Condens. Matter 11, 5415 (1999)] also fits our data reasonably well. In our system, particles experience low air drag dissipation and interact with each others through embedded magnets. These near-conservative many-body interactions are responsible for the measured Gaussian velocity distribution functions and the scaling laws. The dominance of cage relaxations in dense liquids leads to the different scaling laws for dense and dilute regimes.

Effect of Porous Media and Fluid Properties on Dense Non-Aqueous Phase Liquid Migration and Dilution Mass Flux

DTIC Science & Technology

2005-08-01

Research and iii Development Program, Department of Defense, who in part funded this research (CU- 1295: Impacts of DNAPL Source Zone Treatment : Experimental...Trichlorosilane Treatment and Retardation Factor ....................... 46 Results and D iscussion... treatments . Water entry rates were then experimentally measured for various media treatments altering contact angle. With all other data known, contact

Thermodynamics of Thomas-Fermi screened Coulomb systems

NASA Technical Reports Server (NTRS)

Firey, B.; Ashcroft, N. W.

1977-01-01

We obtain in closed analytic form, estimates for the thermodynamic properties of classical fluids with pair potentials of Yukawa type, with special reference to dense fully ionized plasmas with Thomas-Fermi or Debye-Hueckel screening. We further generalize the hard-sphere perturbative approach used for similarly screened two-component mixtures, and demonstrate phase separation in this simple model of a liquid mixture of metallic helium and hydrogen.

Fabrication of Controllable Pore and Particle Size of Mesoporous Silica Nanoparticles via a Liquid-phase Synthesis Method and Its Absorption Characteristics

NASA Astrophysics Data System (ADS)

Nandiyanto, Asep Bayu Dani; Iskandar, Ferry; Okuyama, Kikuo

2011-12-01

Monodisperse spherical mesoporous silica nanoparticles were successfully synthesized using a liquid-phase synthesis method. The result showed particles with controllable pore size from several to tens nanometers with outer diameter of several tens nanometers. The ability in the control of pore size and outer diameter was altered by adjusting the precursor solution ratios. In addition, we have conducted the adsorption ability of the prepared particles. The result showed that large organic molecules were well-absorbed to the prepared silica porous particles, in which this result was not obtained when using commercial dense silica particle and/or hollow silica particle. With this result, the prepared mesoporous silica particles may be used efficiently in various applications, such as sensors, pharmaceuticals, environmentally sensitive pursuits, etc.

Processes affecting soil and groundwater contamination by DNAPL in low-permeability media

DOE Office of Scientific and Technical Information (OSTI.GOV)

McWhorter, D.B.

1996-08-01

This paper is one of a set of focus papers intended to document the current knowledge relevant to the contamination and remediation of soils and ground water by dense, nonaqueous phase liquids (DNAPL). The emphasis is on low permeability media such as fractured clay and till and unconsolidated, stratified formations. Basic concepts pertaining to immiscible-fluid mixtures are described and used to discuss such aspects as DNAPL transport, dissolved-phase transport, and equilibrium mass distributions. Several implications for remediation are presented. 27 refs., 8 figs., 4 tabs.

Ab Initio Investigations of High-Pressure Melting of Dense Lithium

NASA Astrophysics Data System (ADS)

Clay, Raymond; Morales, Miguel; Bonev, Stanimir

Lithium at ambient conditions is the simplest alkali metal and exhibits textbook nearly-free electron behavior. As the density is increased, however, significant core/valence overlap leads to surprisingly complex chemistry. We have systematically investigated the phase diagram of lithium at pressures ranging between two and six million atmospheres. Through a combination of density functional theory based path-integral and classical molecular dynamics simulations, we have investigated the impact of both nuclear quantum effects and anharmonicity on the melting line and solid phase boundaries. We also investigate how the inclusion of nuclear quantum effects and approximations in the treatment of electronic exchange-correlation impact the robustness of previous predictions of tetrahedral clustering in dense liquid Li. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Kinetics and equilibria of lysozyme precipitation and crystallization in concentrated ammonium sulfate solutions.

PubMed

Cheng, Yu-Chia; Lobo, Raul F; Sandler, Stanley I; Lenhoff, Abraham M

2006-05-05

The kinetics and thermodynamics of lysozyme precipitation in ammonium sulfate solutions at pH 4 and 8 and room temperature were studied. X-ray powder diffraction (XRD) was used to characterize the structure of lysozyme precipitates. It was found that, if sufficient time was allowed, microcrystals developed following an induction period after initial lysozyme precipitation, even up to ionic strengths of 8 m and at acidic pH, where lysozyme is refractory to crystallization in ammonium sulfate. The full set of precipitation and crystallization data allowed construction of a phase diagram of lysozyme, showing the ammonium sulfate dependence. It suggests that precipitation may reflect a frustrated metastable liquid-liquid phase separation, which would allow this process to be understood within the framework of the generic phase diagram for proteins. The results also demonstrate that XRD, more frequently used for characterizing inorganic and organic polycrystalline materials, is useful both in characterizing the presence of crystals in the dense phase and in verifying the crystal form of proteins.

Equation of State and Viscosity of Tantalum and Iron from First Principles

NASA Astrophysics Data System (ADS)

Miljacic, Ljubomir; Demers, Steven; van de Walle, Axel

2011-03-01

To understand and model at continuum level the high-energy-density dynamic response in transition metals like Tantalum and Iron, as it arises in hypervelocity impact experiments, an accurate prediction of the underlying thermodynamic and kinetic properties for a range of temperatures and pressures is of critical importance. The relevant time scale of atomic motion in a dense gas, liquid, and solid is accessible with ab-initio Molecular Dynamics (MD) simulations. We calculate EoS for Ta and Fe via Thermodynamical Integration in 2D (V,T) phase space throughout different single and two-component phases. To reduce the ab-initio demand in selected regions of the space, we fit available gas-liquid data to the Peng-Robinson model and treat the solid phase within the Boxed-quasi-harmonic approximation. In the fluid part of the 2D phase space, we calculate shear viscosity via Green-Kubo relations, as time integration of the stress autocorrelation function.

Treatment to Destroy Chlorohydrocarbon Liquids in the Ground

NASA Technical Reports Server (NTRS)

Quinn, Jacqueline; Clausen, Christian A., III; Geiger, Cherie L.; Reinhart, Debra; Brooks, Kathleen

2003-01-01

A relatively simple chemical treatment that involves the use of emulsified iron has been found to be effective in remediating groundwater contaminated with trichloroethylene and other dense chlorohydrocarbon liquids. These liquids are members of the class of dense, nonaqueous phase liquids (DNAPLs), which are commonly recognized to be particularly troublesome as environmental contaminants. The treatment converts these liquids into less-harmful products. As a means of remediation of contaminated groundwater, this treatment takes less time and costs less than do traditional pump-and-treat processes. At some sites, long-term leakage and/or dissolution of chlorohydrocarbon liquids from pools and/or sorbed concentrations in rock and soil gives rise to a need to continue pumpand- treat processes for times as long as decades in order to maintain protection of human health and the environment. In contrast, the effects of the emulsified-iron treatment are more lasting, decreasing the need for long-term treatment and monitoring of contaminated areas. The material used in this treatment consists of iron particles with sizes of the order of nanometers to micrometers contained within the micelles of a surfactant-stabilized, biodegradable, oil-in-water emulsion. The emulsion is simple to prepare and consists of relatively inexpensive and environmentally acceptable ingredients: One typical formulation consists of 1.3 weight percent of a food-grade surfactant, 17.5 weight percent of iron particles, 23.2 weight percent of vegetable oil, and 58.0 weight percent of water.

Partition behavior of surfactants, butanol, and salt during application of density-modified displacement of dense non-aqueous phase liquids.

PubMed

Damrongsiri, S; Tongcumpou, C; Sabatini, D A

2013-03-15

Density-modified displacement (DMD) is a recent approach for removal of trapped dense NAPL (DNAPL). In this study, butanol and surfactant are contacted with the DNAPL to both reduce the density as well as release the trapped DNAPL (perchloroethylene: PCE). The objective of the study was to determine the distribution of each component (e.g., butanol, surfactant, water, PCE) between the original aqueous and PCE phases during the application of DMD. The results indicated that the presence of the surfactant increased the amount of n-butanol required to make the NAPL phase reach its desired density. In addition, water and anionic surfactant were found to partition along with the BuOH into the PCE phase. The water also found partitioned to reverse micelles in the modified phase. Addition of salt was seen to increase partitioning of surfactant to BuOH containing PCE phase. Subsequently, a large amount of water was solubilized into reverse micelles which lead to significantly increase in volume of the PCE phase. This work thus demonstrates the role of each component and the implications for the operation design of an aquifer treatment using the DMD technique. Copyright © 2013 Elsevier B.V. All rights reserved.

Studies of nuclei under the extreme conditions of density, temperature, isospin asymmetry and the phase diagram of hadronic matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mekjian, Aram

2016-10-18

The main emphasis of the entire project is on issues having to do with medium energy and ultra-relativistic energy and heavy ion collisions. A major goal of both theory and experiment is to study properties of hot dense nuclear matter under various extreme conditions and to map out the phase diagram in density or chemical potential and temperature. My studies in medium energy nuclear collisions focused on the liquid-gas phase transition and cluster yields from such transitions. Here I developed both the statistical model of nuclear multi-fragmentation and also a mean field theory.

Hydraulic displacement of dense nonaqueous phase liquids for source zone stabilization.

PubMed

Alexandra, Richards; Gerhard, Jason I; Kueper, Bernard H

2012-01-01

Hydraulic displacement is a mass removal technology suitable for stabilization of a dense, nonaqueous phase liquid (DNAPL) source zone, where stabilization is defined as reducing DNAPL saturations and reducing the risk of future pool mobilization. High resolution three-dimensional multiphase flow simulations incorporating a spatially correlated, heterogeneous porous medium illustrate that hydraulic displacement results in an increase in the amount of residual DNAPL present, which in turn results in increased solute concentrations in groundwater, an increase in the rate of DNAPL dissolution, and an increase in the solute mass flux. A higher percentage of DNAPL recovery is associated with higher initial DNAPL release volumes, lower density DNAPLs, more heterogeneous porous media, and increased drawdown of groundwater at extraction wells. The fact that higher rates of recovery are associated with more heterogeneous porous media stems from the fact that larger contrasts in permeability provide for a higher proportion of capillary barriers upon which DNAPL pooling and lateral migration can occur. Across all scenarios evaluated in this study, the ganglia-to-pool (GTP) ratio generally increased from approximately 0.1 to between approximately 0.3 and 0.7 depending on the type of DNAPL, the degree of heterogeneity, and the imposed hydraulic gradient. The volume of DNAPL recovered as a result of implementing hydraulic displacement ranged from between 9.4% and 45.2% of the initial release volume, with the largest percentage recovery associated with 1,1,1 trichloroethane, the least dense of the three DNAPLs considered. © 2012, The Author(s). Ground Water © 2012, National Ground Water Association.

A three-dimensional multiphase flow model for assesing NAPL contamination in porous and fractured media, 1. Formulation

NASA Astrophysics Data System (ADS)

Huyakorn, P. S.; Panday, S.; Wu, Y. S.

1994-06-01

A three-dimensional, three-phase numerical model is presented for stimulating the movement on non-aqueous-phase liquids (NAPL's) through porous and fractured media. The model is designed for practical application to a wide variety of contamination and remediation scenarios involving light or dense NAPL's in heterogeneous subsurface systems. The model formulation is first derived for three-phase flow of water, NAPL and air (or vapor) in porous media. The formulation is then extended to handle fractured systems using the dual-porosity and discrete-fracture modeling approaches The model accommodates a wide variety of boundary conditions, including withdrawal and injection well conditions which are treated rigorously using fully implicit schemes. The three-phase of formulation collapses to its simpler forms when air-phase dynamics are neglected, capillary effects are neglected, or two-phase-air-liquid, liquid-liquid systems with one or two active phases are considered. A Galerkin procedure with upstream weighting of fluid mobilities, storage matrix lumping, and fully implicit treatment of nonlinear coefficients and well conditions is used. A variety of nodal connectivity schemes leading to finite-difference, finite-element and hybrid spatial approximations in three dimensions are incorporated in the formulation. Selection of primary variables and evaluation of the terms of the Jacobian matrix for the Newton-Raphson linearized equations is discussed. The various nodal lattice options, and their significance to the computational time and memory requirements with regards to the block-Orthomin solution scheme are noted. Aggressive time-stepping schemes and under-relaxation formulas implemented in the code further alleviate the computational burden.

Primary atomization of liquid jets issuing from rocket engine coaxial injectors

NASA Astrophysics Data System (ADS)

Woodward, Roger D.

1993-01-01

The investigation of liquid jet breakup and spray development is critical to the understanding of combustion phenomena in liquid-propellant rocket engines. Much work has been done to characterize low-speed liquid jet breakup and dilute sprays, but atomizing jets and dense sprays have yielded few quantitative measurements due to their optical opacity. This work focuses on a characteristic of the primary breakup process of round liquid jets, namely the length of the intact liquid core. The specific application considered is that of shear-coaxial type rocket engine injectors. Real-time x-ray radiography, capable of imaging through the dense two-phase region surrounding the liquid core, has been used to make the measurements. Nitrogen and helium were employed as the fuel simulants while an x-ray absorbing potassium iodide aqueous solution was used as the liquid oxygen (LOX) simulant. The intact-liquid-core length data have been obtained and interpreted to illustrate the effects of chamber pressure (gas density), injected-gas and liquid velocities, and cavitation. The results clearly show that the effect of cavitation must be considered at low chamber pressures since it can be the dominant breakup mechanism. A correlation of intact core length in terms of gas-to-liquid density ratio, liquid jet Reynolds number, and Weber number is suggested. The gas-to-liquid density ratio appears to be the key parameter for aerodynamic shear breakup in this study. A small number of hot-fire, LOX/hydrogen tests were also conducted to attempt intact-LOX-core measurements under realistic conditions in a single-coaxial-element rocket engine. The tests were not successful in terms of measuring the intact core, but instantaneous imaging of LOX jets suggests that LOX jet breakup is qualitatively similar to that of cold-flow, propellant-simulant jets. The liquid oxygen jets survived in the hot-fire environment much longer than expected, and LOX was even visualized exiting the chamber nozzle under some conditions. This may be an effect of the single element configuration.

Verification of Methods for Assessing the Sustainability of Monitored Natural Attenuation (MNA)

DTIC Science & Technology

2013-01-01

surface CVOC chlorinated volatile organic compound DCE cis-1,2-Dichloroethylene DNAPL dense non-aqueous phase liquid DO dissolved oxygen DOC...considered detailed representations of aquifer heterogeneity, DNAPL distributions, and interfacial surface area. Thus, the upscaled SZD function considers...the effects of decreases in interfacial surface area with time as NAPL mass depletes, but not in an explicit manner. Likewise, the upscaled model is

Electrical resistivity and induced polarization tomography in identifying the plume of chlorinated hydrocarbons in sedimentary formation: a case study in Rho (Milan - Italy).

PubMed

Cardarelli, Ettore; Di Filippo, Gerardina

2009-09-01

Resistivity and induced polarization surveying were originally developed for mineral exploration but are now finding new applications in the field of environmental and engineering geophysics. The present article reports the results of a geophysical survey performed with the aim of identifying a plume of chlorinated hydrocarbons in sedimentary formations of the Pandania plain. The tested site is characterized by three sand and gravel aquifers containing a quantity of clay particles which influence the overall bulk resistivity and chargeability. According to data obtained using shallow boreholes, mainly dense non-aqueous phase liquids were found as contaminants in the first and second aquifer. The aforementioned geo-electrical methods were applied in both two- and three-dimensional approaches. Steel and copper electrodes were used in the process of field data acquisition and the results of the survey were compared. The geophysical survey revealed some anomalies that could be explained by the presence of dense non-aqueous phase liquids in the soil medium. The concept of normalized chargeability facilitates the interpretation of detected induced polarization anomalies. The shape of the plume was inferred from maps of resistivity and chargeability to a depth of 25 m below the surface of the ground.

Hybrid glasses from strong and fragile metal-organic framework liquids

PubMed Central

Bennett, Thomas D.; Tan, Jin-Chong; Yue, Yuanzheng; Baxter, Emma; Ducati, Caterina; Terrill, Nick J.; Yeung, Hamish H. -M.; Zhou, Zhongfu; Chen, Wenlin; Henke, Sebastian; Cheetham, Anthony K.; Greaves, G. Neville

2015-01-01

Hybrid glasses connect the emerging field of metal-organic frameworks (MOFs) with the glass formation, amorphization and melting processes of these chemically versatile systems. Though inorganic zeolites collapse around the glass transition and melt at higher temperatures, the relationship between amorphization and melting has so far not been investigated. Here we show how heating MOFs of zeolitic topology first results in a low density ‘perfect' glass, similar to those formed in ice, silicon and disaccharides. This order–order transition leads to a super-strong liquid of low fragility that dynamically controls collapse, before a subsequent order–disorder transition, which creates a more fragile high-density liquid. After crystallization to a dense phase, which can be remelted, subsequent quenching results in a bulk glass, virtually identical to the high-density phase. We provide evidence that the wide-ranging melting temperatures of zeolitic MOFs are related to their network topologies and opens up the possibility of ‘melt-casting' MOF glasses. PMID:26314784

Hybrid glasses from strong and fragile metal-organic framework liquids.

PubMed

Bennett, Thomas D; Tan, Jin-Chong; Yue, Yuanzheng; Baxter, Emma; Ducati, Caterina; Terrill, Nick J; Yeung, Hamish H-M; Zhou, Zhongfu; Chen, Wenlin; Henke, Sebastian; Cheetham, Anthony K; Greaves, G Neville

2015-08-28

Hybrid glasses connect the emerging field of metal-organic frameworks (MOFs) with the glass formation, amorphization and melting processes of these chemically versatile systems. Though inorganic zeolites collapse around the glass transition and melt at higher temperatures, the relationship between amorphization and melting has so far not been investigated. Here we show how heating MOFs of zeolitic topology first results in a low density 'perfect' glass, similar to those formed in ice, silicon and disaccharides. This order-order transition leads to a super-strong liquid of low fragility that dynamically controls collapse, before a subsequent order-disorder transition, which creates a more fragile high-density liquid. After crystallization to a dense phase, which can be remelted, subsequent quenching results in a bulk glass, virtually identical to the high-density phase. We provide evidence that the wide-ranging melting temperatures of zeolitic MOFs are related to their network topologies and opens up the possibility of 'melt-casting' MOF glasses.

Development of Efficient Real-Fluid Model in Simulating Liquid Rocket Injector Flows

NASA Technical Reports Server (NTRS)

Cheng, Gary; Farmer, Richard

2003-01-01

The characteristics of propellant mixing near the injector have a profound effect on the liquid rocket engine performance. However, the flow features near the injector of liquid rocket engines are extremely complicated, for example supercritical-pressure spray, turbulent mixing, and chemical reactions are present. Previously, a homogeneous spray approach with a real-fluid property model was developed to account for the compressibility and evaporation effects such that thermodynamics properties of a mixture at a wide range of pressures and temperatures can be properly calculated, including liquid-phase, gas- phase, two-phase, and dense fluid regions. The developed homogeneous spray model demonstrated a good success in simulating uni- element shear coaxial injector spray combustion flows. However, the real-fluid model suffered a computational deficiency when applied to a pressure-based computational fluid dynamics (CFD) code. The deficiency is caused by the pressure and enthalpy being the independent variables in the solution procedure of a pressure-based code, whereas the real-fluid model utilizes density and temperature as independent variables. The objective of the present research work is to improve the computational efficiency of the real-fluid property model in computing thermal properties. The proposed approach is called an efficient real-fluid model, and the improvement of computational efficiency is achieved by using a combination of a liquid species and a gaseous species to represent a real-fluid species.

Visualization of the ultrafast structural phase transitions in warm dense matter

NASA Astrophysics Data System (ADS)

Mo, Mianzhen

2017-10-01

It is still a great challenge to obtain real-time atomistic-scale information on the structural phase transitions that lead to warm dense matter state. Recent advances in ultrafast electron diffraction (UED) techniques have opened up exciting prospects to unravel the mechanisms of solid-liquid phase transitions under these extreme non-equilibrium conditions. Here we report on precise measurements of melt time dependency on laser excitation energy density that resolve for the first time the transition from heterogeneous to homogeneous melting. This transition appears in both polycrystalline and single-crystal gold nanofilms with distinct measurable differences. These results test predictions from molecular-dynamics simulations with different interatomic potential models. These data further deliver accurate structure factor data to large wavenumbers that allow us to constrain electron-ion equilibration constants. Our results demonstrate electron-phonon coupling strength much weaker than DFT calculations, and contrary to previous results, provide evidence for bond softening. This work is supported by DOE Office of Science, Fusion Energy Science under FWP 100182, and the DOE BES Accelerator and Detector R&D program.

Six-Phase Heating(trademark) Pilot-Scale Test. Technology Performance Report, Dense Non-Aqueous Phase Liquid, Eastern Parking Lot Groundwater Plume. Air Force Plant 4, Fort Worth, Texas

DTIC Science & Technology

2001-05-01

The well vapor flows were calculated using the following formula taken from the Dwyer Series DS-300 Flow Sensor Instal/ation and Operating...IVllllble. TNRCC-D199 (Rev. 09-01 93) Send oriainal CODV by cerllfled mall 10: / TDLA ).(WWD/PIPl, P.O. BOll 12157 Austin TX 7871 1 Please use black Ink...gas, impinger exhaust, dry gas meter inlet, and dry gas meter outlet. A Fyrite™ kit was used to measure the oxygen and carbon dioxide concentration in

The Pressure-Temperature Phase Diagram of Metacetamol and Its Comparison to the Phase Diagram of Paracetamol.

PubMed

Barrio, Maria; Huguet, Judit; Rietveld, Ivo B; Robert, Benoît; Céolin, René; Tamarit, Josep-Lluis

2017-06-01

Understanding the polymorphic behavior of active pharmaceutical ingredients is important for formulation purposes and regulatory reasons. Metacetamol is an isomer of paracetamol and it similarly exhibits polymorphism. In the present article, it has been found that one of the polymorphs of metacetamol is only stable under increased pressure, which has led to the conclusion that metacetamol like paracetamol is a monotropic system under ordinary (= laboratory) conditions and that it becomes enantiotropic under pressure with the I-II-L triple point coordinates for metacetamol T I-II-L  = 535 ± 10 K and P I-II-L  = 692 ± 70 MPa. However, whereas for paracetamol the enantiotropy under pressure can be foreseen, because the metastable polymorph is denser, in the case of metacetamol this is not possible, as the metastable polymorph is less dense than the stable one. The existence of the stability domain for the less dense polymorph of metacetamol can only be demonstrated by the construction of the topological phase diagram as presented in this article. It is a delicate interplay between the specific volume differences and the enthalpy differences causing the stability domain of the less dense polymorph to be sandwiched between the denser polymorph and the liquid. Metacetamol shares this behavior with bicalutamide and fluoxetine nitrate. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Effects of Noise and Vibration on the Solid to Liquid Fluidization Transition in Small Dense Granular Systems Under Shear

NASA Astrophysics Data System (ADS)

Melhus, Martin Frederic

2011-07-01

Granular materials exhibit bulk properties that are distinct from conventional solids, liq- uids, and gases, due to the dissipative nature of the inter-granular forces. Understanding the fundamentals of granular materials draws upon and gives insight into many fields at the current frontiers of physics, such as plasticity of solids, fracture and friction, com- plex systems such as colloids, foams and suspensions, and a variety of biological systems. Particulate flows are widespread in geophysics, and are also essential to many industries. Despite the importance of these phenomena, we lack a theoretical model that explains most behaviors of granular materials. Since granular assemblies are highly dissipative, they are often far from mechanical equilibrium, making most classical analyses inappli- cable. A theory for dilute granular systems exists, but for dense granular systems (by far the majority of granular systems in the real world) no comparable theory is accepted. We approach this problem by examining the fluidization, or transition from solid to liquid, in dense granular systems. In this study, the separate effects of random noise and vibration on the static to flowing transition of a dense granular assembly under planar shear is studied numerically using soft contact particle dynamics simulations in two dimensions. We focus on small systems in a thin planar Couette cell, examining the bistable region while increasing shear, with varying amounts of random noise or vibration, and determine the statistics of the shear required for the onset of flow. We find that the applied power is the key parameter in determining the magnitude of the effects of the noise or vibration, with vibration frequency also having an influence. Similarities and differences between noise and vibration are determined, and the results compare favorably with a two phase model for dense granular flow.

Pneumatic fracturing of low permeability media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schuring, J.R.

1996-08-01

Pneumatic fracturing of soils to enhance the removal and treatment of dense nonaqueous phase liquids is described. The process involves gas injection at a pressure exceeding the natural stresses and at a flow rate exceeding the permeability of the formation. The paper outlines geologic considerations, advantages and disadvantages, general technology considerations, low permeability media considerations, commercial availability, efficiency, and costs. Five case histories of remediation using pneumatic fracturing are briefly summarized. 11 refs., 2 figs., 1 tab.

Field Demonstration, Optimization, and Rigorous Validation of Peroxygen-Based ISCO for the Remediation of Contaminated Groundwater - CHP Stabilization Protocol

DTIC Science & Technology

2014-05-01

propagations CoCs Contaminants of concern GC Gas chromatography DNAPL Dense nonaqueous phase liquid ISCO In situ chemical oxidation HCA...used for the design and scale-up of air strippers, ion exchange systems, precipitation reactors , and many other treatment processes. Such treatability...studies provide definitive data on system dimensions and reagent dosages using linear or non -linear scale-up. Designing these processes without the

Metallic Hydrogen

NASA Astrophysics Data System (ADS)

Silvera, Isaac; Zaghoo, Mohamed; Salamat, Ashkan

2015-03-01

Hydrogen is the simplest and most abundant element in the Universe. At high pressure it is predicted to transform to a metal with remarkable properties: room temperature superconductivity, a metastable metal at ambient conditions, and a revolutionary rocket propellant. Both theory and experiment have been challenged for almost 80 years to determine its condensed matter phase diagram, in particular the insulator-metal transition. Hydrogen is predicted to dissociate to a liquid atomic metal at multi-megabar pressures and T =0 K, or at megabar pressures and very high temperatures. Thus, its predicted phase diagram has a broad field of liquid metallic hydrogen at high pressure, with temperatures ranging from thousands of degrees to zero Kelvin. In a bench top experiment using static compression in a diamond anvil cell and pulsed laser heating, we have conducted measurements on dense hydrogen in the region of 1.1-1.7 Mbar and up to 2200 K. We observe a first-order phase transition in the liquid phase, as well as sharp changes in optical transmission and reflectivity when this phase is entered. The optical signature is that of a metal. The mapping of the phase line of this transition is in excellent agreement with recent theoretical predictions for the long-sought plasma phase transition to metallic hydrogen. Research supported by the NSF, Grant DMR-1308641, the DOE Stockpile Stewardship Academic Alliance Program, Grant DE-FG52-10NA29656, and NASA Earth and Space Science Fellowship Program, Award NNX14AP17H.

On the peculiarities of LDA method in two-phase flows with high concentrations of particles

NASA Astrophysics Data System (ADS)

Poplavski, S. V.; Boiko, V. M.; Nesterov, A. U.

2016-10-01

Popular applications of laser Doppler anemometry (LDA) in gas dynamics are reviewed. It is shown that the most popular method cannot be used in supersonic flows and two-phase flows with high concentrations of particles. A new approach to implementation of the known LDA method based on direct spectral analysis, which offers better prospects for such problems, is presented. It is demonstrated that the method is suitable for gas-liquid jets. Owing to the progress in laser engineering, digital recording of spectra, and computer processing of data, the method is implemented at a higher technical level and provides new prospects of diagnostics of high-velocity dense two-phase flows.

Wafer Scale Fabrication of Dense and High Aspect Ratio Sub-50 nm Nanopillars from Phase Separation of Cross-Linkable Polysiloxane/Polystyrene Blend.

PubMed

Li, Yang; Hao, Yuli; Huang, Chunyu; Chen, Xingyao; Chen, Xinyu; Cui, Yushuang; Yuan, Changsheng; Qiu, Kai; Ge, Haixiong; Chen, Yanfeng

2017-04-19

We demonstrated a simple and effective approach to fabricate dense and high aspect ratio sub-50 nm pillars based on phase separation of a polymer blend composed of a cross-linkable polysiloxane and polystyrene (PS). In order to obtain the phase-separated domains with nanoscale size, a liquid prepolymer of cross-linkable polysiloxane was employed as one moiety for increasing the miscibility of the polymer blend. After phase separation via spin-coating, the dispersed domains of liquid polysiloxane with sub-50 nm size could be solidified by UV exposure. The solidified polysiloxane domains took the role of etching mask for formation of high aspect ratio nanopillars by O 2 reactive ion etching (RIE). The aspect ratio of the nanopillars could be further amplified by introduction of a polymer transfer layer underneath the polymer blend film. The effects of spin speeds, the weight ratio of the polysiloxane/PS blend, and the concentration of polysiloxane/PS blend in toluene on the characters of the nanopillars were investigated. The gold-coated nanopillar arrays exhibited a high Raman scattering enhancement factor in the range of 10 8 -10 9 with high uniformity across over the wafer scale sample. A superhydrophobic surface could be realized by coating a self-assembled monolayers (SAM) of fluoroalkyltrichlorosilane on the nanopillar arrays. Sub-50 nm silicon nanowires (SiNWs) with high aspect ratio of about 1000 were achieved by using the nanopillars as etching mask through a metal-assisted chemical etching process. They showed an ultralow reflectance of approximately 0.1% for wavelengths ranging from 200 to 800 nm.

Melting of superheated molecular crystals

NASA Astrophysics Data System (ADS)

Cubeta, Ulyana; Bhattacharya, Deepanjan; Sadtchenko, Vlad

2017-07-01

Melting dynamics of micrometer scale, polycrystalline samples of isobutane, dimethyl ether, methyl benzene, and 2-propanol were investigated by fast scanning calorimetry. When films are superheated with rates in excess of 105 K s-1, the melting process follows zero-order, Arrhenius-like kinetics until approximately half of the sample has transformed. Such kinetics strongly imply that melting progresses into the bulk via a rapidly moving solid-liquid interface that is likely to originate at the sample's surface. Remarkably, the apparent activation energies for the phase transformation are large; all exceed the enthalpy of vaporization of each compound and some exceed it by an order of magnitude. In fact, we find that the crystalline melting kinetics are comparable to the kinetics of dielectric α-relaxation in deeply supercooled liquids. Based on these observations, we conclude that the rate of non-isothermal melting for superheated, low-molecular-weight crystals is limited by constituent diffusion into an abnormally dense, glass-like, non-crystalline phase.

BEC-BCS crossover and the liquid-gas phase transition in hot and dense nuclear matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin Meng; Urban, Michael; Schuck, Peter

2010-08-15

The effect of nucleon-nucleon correlations in symmetric nuclear matter at finite temperature is studied beyond BCS theory. Starting from a Hartree-Fock description of nuclear matter with the Gogny effective interaction, we add correlations corresponding to the formation of preformed pairs and scattering states above the superfluid critical temperature within the in-medium T-matrix approach, which is analogous to the Nozieres-Schmitt-Rink theory. We calculate the critical temperature for a BEC superfluid of deuterons, of a BCS superfluid of nucleons, and in the crossover between these limits. The effect of the correlations on thermodynamic properties (equation of state, energy, entropy) and the liquid-gasmore » phase transition is discussed. Our results show that nucleon-nucleon correlations beyond BCS play an important role for the properties of nuclear matter, especially in the low-density region.« less

Modeling Snow Regime in Cores of Small Planetary Bodies

NASA Astrophysics Data System (ADS)

Boukaré, C. E.; Ricard, Y. R.; Parmentier, E.; Parman, S. W.

2017-12-01

Observations of present day magnetic field on small planetary bodies such as Ganymede or Mercury challenge our understanding of planetary dynamo. Several mechanisms have been proposed to explain the origin of magnetic fields. Among the proposed scenarios, one family of models relies on snow regime. Snow regime is supported by experimental studies showing that melting curves can first intersect adiabats in regions where the solidifying phase is not gravitationaly stable. First solids should thus remelt during their ascent or descent. The effect of the snow zone on magnetic field generation remains an open question. Could magnetic field be generated in the snow zone? If not, what is the depth extent of the snow zone? How remelting in the snow zone drive compositional convection in the liquid layer? Several authors have tackled this question with 1D-spherical models. Zhang and Schubert, 2012 model sinking of the dense phase as internally heated convection. However, to our knowledge, there is no study on the convection structure associated with sedimentation and phase change at planetary scale. We extend the numerical model developped in [Boukare et al., 2017] to model snow dynamics in 2D Cartesian geometry. We build a general approach for modeling double diffusive convection coupled with solid-liquid phase change and phase separation. We identify several aspects that may govern the convection structure of the solidifying system: viscosity contrast between the snow zone and the liquid layer, crystal size, rate of melting/solidification and partitioning of light components during phase change.

Annual Report to Congress - Fiscal Year 1996. A Report by the Council of the Strategic Environmental Research and Development Program

DTIC Science & Technology

1997-03-01

volatile organic compounds (VOCs), dense non-aqueous phase liquids (DNAPLs), and permeable reactive walls for chlorinated solvents The GRFL is the only... compounds , solvents, and heavy metals. SCAPS technology has been demonstrated to reduce the costs of traditional site screening by up to 90 percent; it...styphnate and volatile organic compounds (VOCs). Hazardous wastes also are generated during demilitarization. Under partial sponsorship of SERDP, the US Army

Ballistic Imaging of Liquid Breakup Processes in Dense Sprays

DTIC Science & Technology

2009-06-24

spray breakup in its entirety. Gas-phase flowfield dynamics can be captured via particle image velocimetry (PIV) and/or laser Doppler velocimetry... Coherent Legend Ti:Sapphire regenerative amplifier, seeded with a Spectra-Physics Tsunami Ti:Sapphire mode-locked laser generating 40 fs, 2.5 mJ pulses...scattering turbid media. Laser Phys. Lett., 3(9):464–7, 2006. [44] B. Kaldvee, A. Ehn, J. Bood, and M. Aldén. Development of a picosecond- LIDAR system

Small-angle neutron scattering study of a dense microemulsion system formed with an ionic liquid

DOE PAGES

Kang, T.; Qian, S.; Smith, G. S.; ...

2017-09-07

Mixtures of water, octane and 1-octanol with 1-tetradecyl-3-methylimidazolium chloride (C14MIM·Cl), often referred to as a surface active ionic liquid (SAIL), form water-in-oil microemulsions that have potential application as extraction media for various metal ions. Here in this work, we present a structural study by small-angle neutron scattering (SANS) of dense microemulsions formed by surfactant-rich mixtures of these four compounds to understand how the SAIL can be used to tune the structures and properties of the microemulsions. The SANS experiments revealed that the microemulsions formed are composed of two phases, a water-in-oil microemulsion and a bicontinuous microemulsion, which becomes the dominantmore » phase at high surfactant concentration. In this concentration regime, the surfactant film becomes more rigid, having a higher bending modulus that results from the parallel stacking of the imidazolium ring of the SAIL. At lower surfactant concentrations, the molecular packing of the SAIL does not change with the water content of the microemulsion. Finally, the results presented here correlate well with previously observed changes in the interaction between the IL cation and metal ions (Y. Tong, L. Han and Y. Yang, Ind. Eng. Chem. Res., 2012, 51, 16438–16443), while the capacity of the microemulsion system for water remains high enough for using the system as an extraction medium.« less

Small-angle neutron scattering study of a dense microemulsion system formed with an ionic liquid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kang, T.; Qian, S.; Smith, G. S.

Mixtures of water, octane and 1-octanol with 1-tetradecyl-3-methylimidazolium chloride (C14MIM·Cl), often referred to as a surface active ionic liquid (SAIL), form water-in-oil microemulsions that have potential application as extraction media for various metal ions. Here in this work, we present a structural study by small-angle neutron scattering (SANS) of dense microemulsions formed by surfactant-rich mixtures of these four compounds to understand how the SAIL can be used to tune the structures and properties of the microemulsions. The SANS experiments revealed that the microemulsions formed are composed of two phases, a water-in-oil microemulsion and a bicontinuous microemulsion, which becomes the dominantmore » phase at high surfactant concentration. In this concentration regime, the surfactant film becomes more rigid, having a higher bending modulus that results from the parallel stacking of the imidazolium ring of the SAIL. At lower surfactant concentrations, the molecular packing of the SAIL does not change with the water content of the microemulsion. Finally, the results presented here correlate well with previously observed changes in the interaction between the IL cation and metal ions (Y. Tong, L. Han and Y. Yang, Ind. Eng. Chem. Res., 2012, 51, 16438–16443), while the capacity of the microemulsion system for water remains high enough for using the system as an extraction medium.« less

Vapour loss (``boiling'') as a mechanism for fluid evolution in metamorphic rocks

NASA Astrophysics Data System (ADS)

Trommsdorff, Volkmar; Skippen, George

1986-11-01

The calculation of fluid evolution paths during reaction progress is considered for multicomponent systems and the results applied to the ternary system, CO2-H2O-NaCl. Fluid evolution paths are considered for systems in which a CO2-rich phase of lesser density (vapour) is preferentially removed from the system leaving behind a saline aqueous phase (liquid). Such “boiling” leads to enrichment of the residual aqueous phase in dissolved components and, for certain reaction stoichiometries, to eventual saturation of the fluids in salt components. Distinctive textures, particularly radiating growths of prismatic minerals such as tremolite or diopside, are associated with saline fluid inclusions and solid syngenetic salt inclusions at a number of field localities. The most thoroughly studied of these localities is Campolungo, Switzerland, where metasomatic rocks have developed in association with fractures and veins at 500° C and 2,000 bars of pressure. The petrography of these rocks suggests that fluid phase separation into liquid and vapour has been an important process during metasomatism. Fracture systems with fluids at pressure less than lithostatic may facilitate the loss of the less dense vapour phase to conditions of the amphibolite facies.

Why is MP2-Water "Cooler" and "Denser" than DFT-Water?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Willow, Soohaeng Y.; Zeng, Xiao Cheng; Xantheas, Sotiris S.

To maintain water in the liquid phase at the correct (1 g/cm3) density during first-principles simulations, density-functional theory (DFT) with a dispersionless generalized-gradient-approximation (GGA) functional requires a much higher temperature and pressure than the ambient conditions. Conversely, ab initio second-order many-body perturbation (MP2) calculations of liquid water performed by Del Ben et al. [J. Chem. Phys. Lett. 4, 3753 (2013); J. Chem. Phys. 143, 054506 (2015)] and by us [Willow et al., Sci. Rep. 5, 14358 (2015)] required a lower temperature and a negative pressure than DFT to keep water liquid. Here, we present a unifying explanation of these trendsmore » derived from classical water simulations using a polarizable force field with different sets of parameters. We show that the calculated temperature and pressure of the liquid phase are strongly correlated with the polarizability of water and the dispersion interaction, respectively. In DFT/GGA, the polarizability and thus the induced dipole moments and the hydrogen-bond strength are all overestimated. This hinders the rotational motion of molecules and requires a higher temperature for water to be liquid. In MP2 and DFT/GGA, the dispersion interaction is stronger and weaker (or lacking), respectively. This explains why liquid water contracts uniformly and becomes too dense in MP2, whereas the opposite is the case for dispersionless DFT/GGA.« less

Nucleation of ordered solid phases of proteins via a disordered high-density state: Phenomenological approach

NASA Astrophysics Data System (ADS)

Pan, Weichun; Kolomeisky, Anatoly B.; Vekilov, Peter G.

2005-05-01

Nucleation of ordered solid phases of proteins triggers numerous phenomena in laboratory, industry, and in healthy and sick organisms. Recent simulations and experiments with protein crystals suggest that the formation of an ordered crystalline nucleus is preceded by a disordered high-density cluster, akin to a droplet of high-density liquid that has been observed with some proteins; this mechanism allowed a qualitative explanation of recorded complex nucleation kinetics curves. Here, we present a simple phenomenological theory that takes into account intermediate high-density metastable states in the nucleation process. Nucleation rate data at varying temperature and protein concentration are reproduced with high fidelity using literature values of the thermodynamic and kinetic parameters of the system. Our calculations show that the growth rate of the near-critical and supercritical ordered clusters within the dense intermediate is a major factor for the overall nucleation rate. This highlights the role of viscosity within the dense intermediate for the formation of the ordered nucleus. The model provides an understanding of the action of additives that delay or accelerate nucleation and presents a framework within which the nucleation of other ordered protein solid phases, e.g., the sickle cell hemoglobin polymers, can be analyzed.

Radio frequency heating for in-situ remediation of DNAPL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kasevich, R.S.

1996-08-01

In-situ radio frequency (RF) heating technology for treating soils contaminated with dense nonaqueous phase liquids (DNAPLs) is described. RF imparts heat to non-conducting materials through the application of carefully controlled RF transmissions, improving contaminant flow characteristics and facilitating separation and removal from subsurface soils. The paper outlines advantages and limitations of RF remediation, process operations, general technology considerations, low permeability media considerations, commercial availability, and costs. Two case histories of RF remediation are briefly summarized. 13 refs., 10 figs.

Dense Non-Aqueous Phase Liquids (DNAPLs): Review of Emerging Characterization and Remediation Technologies

DTIC Science & Technology

2000-06-01

the chemical can contact and fully react with contaminants in situ. The advantage of in situ destruction is that the process is completed in the ground...Because chemical oxidation is primarily targeted at dissolved plumes and is only marginally applicable to DNAPL source zones exhibiting relatively low...refer to a “DNAPL plume .” Certainly, a portion of the chemical components of a DNAPL may become dissolved in ground water, and this solution may spread

Practical Cost-Optimization of Characterization and Remediation Decisions at DNAPL Sites with Consideration of Prediction Uncertainty

DTIC Science & Technology

2011-05-01

well] TR GWsampC sampling and analysis cost per groundwater sample [$K/sample] i TR boreC cost per soil boring [$K/boring] TR SOILsampC cost per... soil sample analyzed [$K/sample] d annual discount rate [-] DNAPL dense nonaqueous phase liquid (E0, N0) raw easting and northing field...kg] fE fraction of non-monitoring variable costs attributable to energy use [-] Fi total soil and/or groundwater samples divided by pre

Analysis of Anion Distributions in the Developing Strata of a Constructed Wetland Used for Chlorinated Ethene Remediation

DTIC Science & Technology

2003-03-01

and landfills. Classified as dense non-aqueous phase liquids (DNAPLs) because of their high density and relatively low solubility in water ...Environmental Protection Agency (EPA) recommendations (U.S. EPA, 1992). Water was purged from the top of the piezometric head, to ensure full...that which is recognized by the EPA as “ low -flow purging,” fresh water within the well screen was hydraulically isolated from any stagnant water in the

Liquid Crystal Mediated Nano-assembled Gold Micro-shells

NASA Astrophysics Data System (ADS)

Quint, Makiko; Sarang, Som; Quint, David; Huang, Kerwyn; Gopinathan, Ajay; Hirst, Linda; Ghosh, Sayantani

We have created 3D nano-assenbled micro-shell by using thermotropic liquid crystal (LC), 4-Cyano-4'-pentylbiphenyl (5CB), doped with mesogen-functionalized gold nanoparticles (AuNPs). The assembly process is driven by the isotropic-nematic phase transition dynamics. We uniformly disperse the functionalized AuNPs into isotropic liquid crystal matrix and the mixture is cooled from the isotropic to the nematic phase. During the phase transition, the separation of LC-AuNP rich isotropic and ordered 5CB rich domains cause the functionalized AuNPs to move into the shrinking isotropic regions. The mesogenic ligands are locally crystalized during this process, which leads to the formation of a spherical shell with a densely packed wall of AuNPs. These micro-shells are capable of encapsulating fluorescence dye without visible leakages for several months. Additionally, they demonstrate strong localized surface plasmon resonance, which leads to localized heating on optical excitation. This photothermal effect disrupts the structure, releasing contents within seconds. Our results exhibiting the capture and optically regulated release of encapsulated substances is a novel platform that combines drug-delivery and photothermal therapy in one versatile and multifunctional unit. This work is supported by the NSF Grants No. DMR-1056860, ECC-1227034, and a University of California Merced Faculty Mentor Fellowship.

Nuclear quantum effects on structure and transport properties of dense liquid helium

NASA Astrophysics Data System (ADS)

Kang, Dongdong; Dai, Jiayu; Yuan, Jianmin

2015-11-01

Transport properties of dense liquid helium under the conditions of planet's core and cool atmosphere of white dwarfs are important for determining the structure and evolution of these astrophysical objects. We have investigated these properties of dense liquid helium by using the improved centroid path-integral simulations combined with density functional theory. The results show that with the inclusion of nuclear quantum effects (NQEs), the self-diffusion is largely higher while the shear viscosity is notably lower than the results of without the inclusion of NQEs due to the lower collision cross sections even when the NQEs have little effects on the static structures. The potential surface of helium atom along the simulation trajectory is quite different between MD and PIMD simulations. We have shown that the quantum nuclear character induces complex behaviors for ionic transport properties of dense liquid helium. NQEs bring more fluctuations of local electronic density of states than the classical treatment. Therefore, in order to construct more reasonable structure and evolution model for the planets and WDs, NQEs must be reconsidered when calculating the transport properties at certain temperature and density conditions.

Simultaneous analysis for water- and fat-soluble vitamins by a novel single chromatography technique unifying supercritical fluid chromatography and liquid chromatography.

PubMed

Taguchi, Kaori; Fukusaki, Eiichiro; Bamba, Takeshi

2014-10-03

Chromatography techniques usually use a single state in the mobile phase, such as liquid, gas, or supercritical fluid. Chromatographers manage one of these techniques for their purpose but are sometimes required to use multiple methods, or even worse, multiple techniques when the target compounds have a wide range of chemical properties. To overcome this challenge, we developed a single method covering a diverse compound range by means of a "unified" chromatography which completely bridges supercritical fluid chromatography and liquid chromatography. In our method, the phase state was continuously changed in the following order; supercritical, subcritical and liquid. Moreover, the gradient of the mobile phase starting at almost 100% CO2 was replaced with 100% methanol at the end completely. As a result, this approach achieved further extension of the polarity range of the mobile phase in a single run, and successfully enabled the simultaneous analysis of fat- and water-soluble vitamins with a wide logP range of -2.11 to 10.12. Furthermore, the 17 vitamins were exceptionally separated in 4min. Our results indicated that the use of dense CO2 and the replacement of CO2 by methanol are practical approaches in unified chromatography covering diverse compounds. Additionally, this is a first report to apply the novel approach to unified chromatography, and can open another door for diverse compound analysis in a single chromatographic technique with single injection, single column and single system. Copyright © 2014. Published by Elsevier B.V.

On the transition between two-phase and single-phase interface dynamics in multicomponent fluids at supercritical pressures

NASA Astrophysics Data System (ADS)

Dahms, Rainer N.; Oefelein, Joseph C.

2013-09-01

A theory that explains the operating pressures where liquid injection processes transition from exhibiting classical two-phase spray atomization phenomena to single-phase diffusion-dominated mixing is presented. Imaging from a variety of experiments have long shown that under certain conditions, typically when the pressure of the working fluid exceeds the thermodynamic critical pressure of the liquid phase, the presence of discrete two-phase flow processes become diminished. Instead, the classical gas-liquid interface is replaced by diffusion-dominated mixing. When and how this transition occurs, however, is not well understood. Modern theory still lacks a physically based model to quantify this transition and the precise mechanisms that lead to it. In this paper, we derive a new model that explains how the transition occurs in multicomponent fluids and present a detailed analysis to quantify it. The model applies a detailed property evaluation scheme based on a modified 32-term Benedict-Webb-Rubin equation of state that accounts for the relevant real-fluid thermodynamic and transport properties of the multicomponent system. This framework is combined with Linear Gradient Theory, which describes the detailed molecular structure of the vapor-liquid interface region. Our analysis reveals that the two-phase interface breaks down not necessarily due to vanishing surface tension forces, but due to thickened interfaces at high subcritical temperatures coupled with an inherent reduction of the mean free molecular path. At a certain point, the combination of reduced surface tension, the thicker interface, and reduced mean free molecular path enter the continuum length scale regime. When this occurs, inter-molecular forces approach that of the multicomponent continuum where transport processes dominate across the interfacial region. This leads to a continuous phase transition from compressed liquid to supercritical mixture states. Based on this theory, a regime diagram for liquid injection is developed that quantifies the conditions under which classical sprays transition to dense-fluid jets. It is shown that the chamber pressure required to support diffusion-dominated mixing dynamics depends on the composition and temperature of the injected liquid and ambient gas. To illustrate the method and analysis, we use conditions typical of diesel engine injection. We also present a companion set of high-speed images to provide experimental validation of the presented theory. The basic theory is quite general and applies to a wide range of modern propulsion and power systems such as liquid rockets, gas turbines, and reciprocating engines. Interestingly, the regime diagram associated with diesel engine injection suggests that classical spray phenomena at typical injection conditions do not occur.

A theoretical and experimental study of turbulent nonevaporating sprays

NASA Technical Reports Server (NTRS)

Solomon, A. S. P.; Shuen, J. S.; Zhang, Q. F.; Faeth, G. M.

1984-01-01

Measurements and analysis limited to the dilute portions of turbulent nonevaporating sprays injected into a still air environment were completed. Mean and fluctuating velocities and Reynolds stress were measured in the continuous phase. Liquid phase measurements included liquid mass fluxes, drop sizes and drop size and velocity correlation. Initial conditions needed for model evaluation were measured at a location as close to the injector exit as possible. The test sprays showed significant effects of slip and turbulent dispersion of the discrete phase. The measurements were used to evaluate three typical models of these processes: (1) a locally homogenous flow (LHF) model, where slip between the phases were neglected; (2) a deterministic separated flow (DSF) model, where slip was considered but effects of drop dispersion by turbulence were ignored; and (3) a stochastic separated flow (SSF) model, where effects of interphase slip and turbulent dispersion were considered using random-walk computations for drop motion. The LHF and DSF models did not provide very satisfactory predictions for the present measurements. In contrast, the SSF model performed reasonably well with no modifications in the prescription of eddy properties from its original calibration. Some effects of drops on turbulence properties were observed near the dense regions of the sprays.

Crystallization of carbon-oxygen mixtures in white dwarf stars.

PubMed

Horowitz, C J; Schneider, A S; Berry, D K

2010-06-11

We determine the phase diagram for dense carbon-oxygen mixtures in white dwarf (WD) star interiors using molecular dynamics simulations involving liquid and solid phases. Our phase diagram agrees well with predictions from Ogata et al. and from Medin and Cumming and gives lower melting temperatures than Segretain et al. Observations of WD crystallization in the globular cluster NGC 6397 by Winget et al. suggest that the melting temperature of WD cores is close to that for pure carbon. If this is true, our phase diagram implies that the central oxygen abundance in these stars is less than about 60%. This constraint, along with assumptions about convection in stellar evolution models, limits the effective S factor for the 12C(α,γ)16O reaction to S(300)≤170  keV b.

Inhomogeneous quasistationary state of dense fluids of inelastic hard spheres

NASA Astrophysics Data System (ADS)

Fouxon, Itzhak

2014-05-01

We study closed dense collections of freely cooling hard spheres that collide inelastically with constant coefficient of normal restitution. We find inhomogeneous states (ISs) where the density profile is spatially nonuniform but constant in time. The states are exact solutions of nonlinear partial differential equations that describe the coupled distributions of density and temperature valid when inelastic losses of energy per collision are small. The derivation is performed without modeling the equations' coefficients that are unknown in the dense limit (such as the equation of state) using only their scaling form specific for hard spheres. Thus the IS is the exact state of this dense many-body system. It captures a fundamental property of inelastic collections of particles: the possibility of preserving nonuniform temperature via the interplay of inelastic cooling and heat conduction that generalizes previous results. We perform numerical simulations to demonstrate that arbitrary initial state evolves to the IS in the limit of long times where the container has the geometry of the channel. The evolution is like a gas-liquid transition. The liquid condenses in a vanishing part of the total volume but takes most of the mass of the system. However, the gaseous phase, which mass grows only logarithmically with the system size, is relevant because its fast particles carry most of the energy of the system. Remarkably, the system self-organizes to dissipate no energy: The inelastic decay of energy is a power law [1+t/tc]-2, where tc diverges in the thermodynamic limit. This is reinforced by observing that for supercritical systems the IS coincide in most of the space with the steady states of granular systems heated at one of the walls. We discuss the relation of our results to the recently proposed finite-time singularity in other container's geometries.

Many-body interaction effects on the low-k structure of liquid Kr

NASA Astrophysics Data System (ADS)

Guarini, E.; Magli, R.; Tau, M.; Barocchi, F.; Casanova, G.; Reatto, L.

2001-05-01

Neutron diffraction measurements and theoretical calculations of the structure factor S(k) of liquid Kr are extended to small k values (k<4 nm-1). The results show that many-body interaction contributions have an increasing effect on S(k) as k-->0, reaching at least 40% of the measured intensity. Both the phase diagram and the low-k structural data of dense Kr turn out to be closely reproduced by the hierarchical reference theory if additional many-body forces are taken into account by an augmented strength of the Axilrod-Teller triple-dipole potential. The experimental density derivative of S(k) is also used for a very sensitive test of the theories and interaction models considered here.

Dynamic Compression Experiments on Hydrogen and Deuterium in the Warm Dense Liquid.

NASA Astrophysics Data System (ADS)

Desjarlais, Michael; McCoy, Chad; Cochrane, Kyle; Mattsson, Thomas; Knudson, Marcus; Redmer, Ronald

2017-06-01

Recently a shock-ramp platform has been developed on the Z Accelerator to access off-Hugoniot states in liquids. The accelerator delivers a two-step current pulse; the first accelerates the electrode to a constant velocity, which upon impact with the sample cell creates a well-defined shock, the subsequent current rise produces ramp compression from the initially shocked state producing relatively cool (1-2 kK), high pressure (>300 GPa), high compression (10 to 15-fold compression) states. This technique allows experimental access to the region of phase space where hydrogen is predicted to undergo a first-order phase transition from an insulating molecular-like to a conducting atomic-like liquid. Here we discuss the experimental platform, survey various theoretical predictions for the liquid-liquid, insulator-to-metal transition in hydrogen, and present results of experiments on both deuterium and hydrogen that clearly show an abrupt transition to a metallic state. We also present results from recent experiments at higher temperatures (3-4 kK) and compare the observations to both first-principles theory and previous step-wise loading experiments that exhibited a minimum metallic conductivity. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Immiscibility of Fluid Phases at Magmatic-hydrothermal Transition: Formation of Various PGE-sulfide Mineralization for Layered Basic Intrusions

NASA Astrophysics Data System (ADS)

Zhitova, L.; Borisenko, A.; Morgunov, K.; Zhukova, I.

2007-12-01

Fluid inclusions in quartz of the Merensky Reef (Bushveld Complex, South Africa) and the Chineisky Pluton (Transbaikal Region, Russia) were studied using cryometry, microthermometry, Raman-spectroscopy, LA ICP- MS, scanning electronic microscopy, gas-chromatography and isotopic methods. This allowed us to document some examples of fluid phase separation resulting in formation of different types of PGE-sulfide mineralization for layered basic intrusions. The results obtained show at least three generations of fluid separated from boiling residual alumosilicate intercumulus liquid of the Merensky Reef. The earliest fluid phase composed of homogenous high-dense methane and nitrogen gas mixture was identified in primary gas and co-existing anomalous fluid inclusions from symplectitic quartz. The next generation, heterophase fluid, composed of brines containing a free low-dense (mostly of carbon dioxide) gas phase, was observed in primary multiphase and coexisting gas-rich inclusions of miarolitic quartz crystals. The latest generation was also a heterophase fluid (low salinity water-salt solution and free low-dense methane gas phase) found in primary water-salt and syngenetic gas inclusions from peripheral zones of miarolitic quartz crystals. For the Chineisky Pluton reduced endocontact magmatogene fluids changed to oxidized low salinity hydrothermal fluids in exocontact zone. This resulted in formation of sulfide-PGE enrichment marginal zones of intrusion. The results obtained give us a possibility to suggest that: 1) Fluid phase separation is a typical feature of magmatogene fluids for layered basic intrusions. 2) Reduced fluids can extract and transport substantial PGE and sulfide concentrations. 3) Oxidation of reduced fluids is one of the most important geochemical barriers causing abundant PGE minerals and sulfides precipitation. This in turn results in both formation of PGE reefs or enriched contact zones of layered basic intrusions. This work was supported by the Ministry for Russian Science and Education, Grant DSP.2.1.1.702, by RFBR Grants ## 07-05-00685, 07-05-00803, Grant VMTK-2007 IGM SB RAS.

HIGH-PRESSURE PHYSICS. Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium.

PubMed

Knudson, M D; Desjarlais, M P; Becker, A; Lemke, R W; Cochrane, K R; Savage, M E; Bliss, D E; Mattsson, T R; Redmer, R

2015-06-26

Eighty years ago, it was proposed that solid hydrogen would become metallic at sufficiently high density. Despite numerous investigations, this transition has not yet been experimentally observed. More recently, there has been much interest in the analog of this predicted metallic transition in the dense liquid, due to its relevance to planetary science. Here, we show direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium. Experimental determination of the location of this transition provides a much-needed benchmark for theory and may constrain the region of hydrogen-helium immiscibility and the boundary-layer pressure in standard models of the internal structure of gas-giant planets. Copyright © 2015, American Association for the Advancement of Science.

Low gravity containerless processing of immiscible gold rhodium alloys

NASA Technical Reports Server (NTRS)

Andrews, J. Barry

1986-01-01

Under normal one-g conditions immiscible alloys segregate extensively during solidification due to sedementation of the more dense of the immiscible liquid phases. However, under low-g conditions it should be possible to form a dispersion of the two immiscible liquids and maintain this dispersed structure during solidification. Immiscible (hypermonotectic) gold-rhodium alloys were processed in the Marshall Space Flight Center 105 meter drop tube in order to investigate the influence of low gravity, containerless solidification on their microstructure. Hypermonotectic alloys composed of 65 atomic % rhodium exhibited a tendency for the gold rich liquid to wet the outer surface of the containerless processed samples. This tendency led to extensive segregation in several cases. However, well dispersed microstructures consisting of 2 to 3 micron diameter rhodium-rich spheres in a gold-rich matrix were produced in 23.4 atomic % rhodium alloys. This is one of the best dispersions obtained in research on immiscible alloy-systems to data.

Method of remediation of contaminants in porous media through minimization of bouyancy effects

DOEpatents

Shook, G. Michael; Pope, Gary A.

1999-01-01

A method for controlling vertical migration of contaminants in an aquifer includes introduction of a solubilizing solution having a surfactant and an alcohol or other light co-solvent. The surfactant is selected to solubilize the contaminant. The alcohol or other solvent is selected to provide the microemulsion with a substantially neutral buoyancy with respect to groundwater. The neutral buoyancy of the microemulsion prevents the normal downward movement which is typical of the solubilized dense non-aqueous phase liquid in surfactant-enhanced aquifer remediation. Thus, the risk that any significant amount of the solubilized dense non-aqueous contaminants will migrate vertically can be controlled. The relative tendency for vertical migration may also be reduced by increasing the injection rate or injected fluid viscosity (by adding polymer), or by reducing the well spacing.

Modelling compressible dense and dilute two-phase flows

NASA Astrophysics Data System (ADS)

Saurel, Richard; Chinnayya, Ashwin; Carmouze, Quentin

2017-06-01

Many two-phase flow situations, from engineering science to astrophysics, deal with transition from dense (high concentration of the condensed phase) to dilute concentration (low concentration of the same phase), covering the entire range of volume fractions. Some models are now well accepted at the two limits, but none are able to cover accurately the entire range, in particular regarding waves propagation. In the present work, an alternative to the Baer and Nunziato (BN) model [Baer, M. R. and Nunziato, J. W., "A two-phase mixture theory for the deflagration-to-detonation transition (DDT) in reactive granular materials," Int. J. Multiphase Flow 12(6), 861 (1986)], initially designed for dense flows, is built. The corresponding model is hyperbolic and thermodynamically consistent. Contrarily to the BN model that involves 6 wave speeds, the new formulation involves 4 waves only, in agreement with the Marble model [Marble, F. E., "Dynamics of a gas containing small solid particles," Combustion and Propulsion (5th AGARD Colloquium) (Pergamon Press, 1963), Vol. 175] based on pressureless Euler equations for the dispersed phase, a well-accepted model for low particle volume concentrations. In the new model, the presence of pressure in the momentum equation of the particles and consideration of volume fractions in the two phases render the model valid for large particle concentrations. A symmetric version of the new model is derived as well for liquids containing gas bubbles. This model version involves 4 characteristic wave speeds as well, but with different velocities. Last, the two sub-models with 4 waves are combined in a unique formulation, valid for the full range of volume fractions. It involves the same 6 wave speeds as the BN model, but at a given point of space, 4 waves only emerge, depending on the local volume fractions. The non-linear pressure waves propagate only in the phase with dominant volume fraction. The new model is tested numerically on various test problems ranging from separated phases in a shock tube to shock-particle cloud interaction. Its predictions are compared to BN and Marble models as well as against experimental data showing clear improvements.

Dense simple plasmas as high-temperature liquid simple metals

NASA Technical Reports Server (NTRS)

Perrot, F.

1990-01-01

The thermodynamic properties of dense plasmas considered as high-temperature liquid metals are studied. An attempt is made to show that the neutral pseudoatom picture of liquid simple metals may be extended for describing plasmas in ranges of densities and temperatures where their electronic structure remains 'simple'. The primary features of the model when applied to plasmas include the temperature-dependent self-consistent calculation of the electron charge density and the determination of a density and temperature-dependent ionization state.

Recent Developments in X-Ray Diagnostics for Cryogenic and Optically Dense Coaxial Rocket Sprays

NASA Technical Reports Server (NTRS)

Radke, Christopher D.; Kastengren, Alan L.; Meyer, Terrence R.

2017-01-01

The mixing and atomization of propellants is often characterized by optically dense flow fields and complex breakup dynamics. In the development of propulsion systems, the complexity of relevant physics and the range of spatio-temporal scales often makes computational simulation impractical for full scale injector elements; consequently, continued research into improved systems for experimental flow diagnostics is ongoing. One area of non-invasive flow diagnostics which has seen widespread growth is using synchrotron based x-ray diagostics. Over the past 3 years, a series of water and cryogenic based experiments were performed at the Advanced Photon Source, Argonne National Lab, on a NASA in-house designed swirl co-axial rocket injector, designed for operation using liquid oxygen and liquid methane in support of Project Morpheus. A range of techniques, such as x-ray fluorescence and time-averaged radiography were performed providing qualitative and quantitative mass and phase distributions, and were complemented by investigations using time-resolved radiography and white beam imaging, which provided information on breakup and mixing dynamics. Results of these investigations are presented, and conclusions regarding the viability of x-ray based diagnostics are discussed.

Sampling results, DNAPL monitoring well GW-726, Oak Ridge Y-12 plant, Oak Ridge, Tennessee. Quarterly report, April 1, 1994--September 30, 1994.

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1995-12-31

In January 1990, dense, non aqueous phase liquids (DNAPLs) were discovered at a depth of approximately 274 foot below ground surface along the southern border of the Y-12 Plant Burial Grounds. Immediately after the discovery, an investigation was conducted to assess the occurrence of DNAPL at the site and to make recommendations for further action. This report summarizes purging and sampling activities for one of these multiport wells, GW-726, and presents analytical results for GW-726.

Gelation in Aerosols; Non-Mean-Field Aggregation and Kinetics

NASA Technical Reports Server (NTRS)

Sorensen, C. M.; Chakrabarti, A.

2008-01-01

Nature has many examples of systems of particles suspended in a fluid phase; colloids when in a liquid, aerosols when in a gas. These systems are inherently unstable since if the particles can come together, van der Waals forces will keep them together. In this work we studied the aggregation kinetics of particulate systems, most often aerosols. The emphasis of our work was to study dense systems and systems that gel since previous work had not considered these. Our work obtained a number of significant discoveries and results which are reported here.

Digital holographic diagnostics of near-injector region

NASA Astrophysics Data System (ADS)

Lee, Jaiho

Study of primary breakup of liquid jets is important because it is motivated by the application to gas turbine fuel injectors, diesel fuel injectors, industrial cleaning and washing machine, medical spray, and inkjet printers, among others. When it comes to good injectors, a liquid jet has to be disintegrated into a fine spray near injector region during primary breakup. However the dense spray region near the injectors is optically obscure for Phase Doppler Interferometer like Phase Doppler Particle Analyzers (PDPA). Holography can provide three dimensional image of the dense spray and eliminate the problem of the small depth of focus associated with shadowgraphs. Traditional film-based holographic technique has long been used for three dimensional measurements in particle fields, but it is time consuming, expensive, chemically hazardous. With the development of the CCD sensor, holograms were recorded and reconstructed digitally. Digital microscopic holography (DMH) is similar to digital inline holography (DIH) except that no lens is used to collimate the object beam. The laser beams are expanded with an objective lens and a spatial filter. This eliminates two lenses from the typical optical path used for in-line holography, which results in a much cleaner hologram recording. The DMH was used for drop size and velocity measurements of the breakup of aerated liquid jets because it is unaffected by the non-spherical droplets that are encountered very close to the injector exit, which would cause problems for techniques such as Phase Doppler Particle Analyzer, otherwise. Large field of view was obtained by patching several high resolution holograms. Droplet velocities in three dimensions were measured by tracking their displacements in the streamwise and cross-stream direction and by tracking the change in the plane of focus in the spanwise direction. The uncertainty in spanwise droplet location and velocity measurements using single view DMH was large at least 33%. This large uncertainty in the spanwise direction, however, can be reduced to 2% by employing double view DMH. Double view DMH successfully tracked the three dimensional bending trajectories of polymer jets during electrospinning. The uncertainty in the spatial growth measurements of the bending instability was reduced using orthogonal double view DMH. Moreover, a commercial grade CCD was successfully used for single- and double-pulsed DMH of micro liquid jet breakup. Using a commercial grade CCD for the DMH, the cost of CCD sensor needed for recording holograms can be reduced.

Condition of Development of Channeled Flow in Analogue Partially Molten Medium

NASA Astrophysics Data System (ADS)

Takashima, S.; Kumagai, I.; Kurita, K.

2003-12-01

Melt migration in partially molten medium is conceptually classified into two contrasting models; homogeneous permeable flow and localized channeled flow. The transition from homogeneous flow to localized one is promoted with advance of melting and deformation of the medium, but the physics behind this transition is not yet clarified well. Here we show two kinds of experimental results which are mutually related. One is a development of the channeled flow in a so-called Rayleigh-Taylor Instability experiments. Dense viscous fluid is poured at the top of the matrix fluid; homogeneous mixture of soft transparent gel and viscous fluid having equal density. Liquid fraction is varied for this matrix fluid to see how the fraction controls the development. At the intermediate gel fraction (between70% to about 40%) the dense fluid at first migrates through the grain boundary as permeable flow. But local heterogeneity in the gel fraction induces relative movement of solid phase, which in turns enhances the localization of the flow and deformation. We measured the motion of fluid phase and solid phase separately by PIV/PTV methods. Estimated relative motion and divergence of velocity field of the solid phase show that the state in the relative movement of the solid phase could cause heterogeneous distribution of the solid fraction. The deformation-induced compaction plays an important role. The second experimental result is rheology of the dense suspension of soft gel and viscous fluid. Deformation experiment with concentric cylinders shows that the mixture system has yield strength at the intermediate gel fraction. In the stress state above the yield strength the region where deformation rate is large has low viscosity and its internal structure evolves to the state in heterogeneous distribution of viscosity. We would like to show that this nature is critical in the development of flow from homogeneous one to localized one.

Effect of CO2 partial pressure and different CO2 phases on carbon steel corrosion

NASA Astrophysics Data System (ADS)

Mahlobo, MGR; Premlall, K.; Olubambi, PA

2017-12-01

Carbon capture and storage (CCS) is the recent promising technology aimed at reducing greenhouse gas emission. Like many other developed technologies, CCS is faced with great challenges such as pipeline transportation failure due to corrosion. There are many factors contributing to steel corrosion during the pipeline transportation of carbon dioxide (CO2). This study focuses on CO2 partial pressure and different phases of CO2 as some of the factors contributing to steel corrosion. Carbon steel was used as a testing specimen. High pressure reactor was used in this study to compress CO2 from low to high pressures ultimately changing the CO2 from gaseous phase to gas/liquid phase (subcritical) and to dense phase (supercritical). Weight loss method was employed to determine the corrosion rate while scanning electron microscopy (SEM) and X-Ray diffraction (XRD) were used to study the carbon steel morphology and phase analysis. Using low magnification digital camera, the type of corrosion that took place on the carbon steel surface was identified.

Classical and quantum simulations of warm dense carbon

NASA Astrophysics Data System (ADS)

Whitley, Heather; Sanchez, David; Hamel, Sebastien; Correa, Alfredo; Benedict, Lorin

We have applied classical and DFT-based molecular dynamics (MD) simulations to study the equation of state of carbon in the warm dense matter regime (ρ = 3.7 g/cc, 0.86 eV

Phase Transitions in Model Active Systems

NASA Astrophysics Data System (ADS)

Redner, Gabriel S.

The amazing collective behaviors of active systems such as bird flocks, schools of fish, and colonies of microorganisms have long amazed scientists and laypeople alike. Understanding the physics of such systems is challenging due to their far-from-equilibrium dynamics, as well as the extreme diversity in their ingredients, relevant time- and length-scales, and emergent phenomenology. To make progress, one can categorize active systems by the symmetries of their constituent particles, as well as how activity is expressed. In this work, we examine two categories of active systems, and explore their phase behavior in detail. First, we study systems of self-propelled spherical particles moving in two dimensions. Despite the absence of an aligning interaction, this system displays complex emergent dynamics, including phase separation into a dense active solid and dilute gas. Using simulations and analytic modeling, we quantify the phase diagram and separation kinetics. We show that this nonequilibrium phase transition is analogous to an equilibrium vapor-liquid system, with binodal and spinodal curves and a critical point. We also characterize the dense active solid phase, a unique material which exhibits the structural signatures of a crystalline solid near the crystal-hexatic transition point, as well as anomalous dynamics including superdiffusive motion on intermediate timescales. We also explore the role of interparticle attraction in this system. We demonstrate that attraction drastically changes the phase diagram, which contains two distinct phase-separated regions and is reentrant as a function of propulsion speed. We interpret this complex situation with a simple kinetic model, which builds from the observed microdynamics of individual particles to a full description of the macroscopic phase behavior. We also study active nematics, liquid crystals driven out of equilibrium by energy-dissipating active stresses. The equilibrium nematic state is unstable in these materials, leading to beautiful and surprising behaviors including the spontaneous generation of topological defect pairs which stream through the system and later annihilate, yielding a complex, seemingly chaotic dynamical steady-state. Here, we describe the emergence of order from this chaos in the form of previously unknown broken-symmetry phases in which the topological defects themselves undergo orientational ordering. We have identified these defect-ordered phases in two realizations of an active nematic: first, a suspension of extensile bundles of microtubules and molecular motor proteins, and second, a computational model of extending hard rods. We will describe the defect-stabilized phases that manifest in these systems, our current understanding of their origins, and discuss whether such phases may be a general feature of extensile active nematics.

Comparison of two-dimensional and three-dimensional simulations of dense nonaqueous phase liquids (DNAPLs): Migration and entrapment in a nonuniform permeability field

NASA Astrophysics Data System (ADS)

Christ, John A.; Lemke, Lawrence D.; Abriola, Linda M.

2005-01-01

The influence of reduced dimensionality (two-dimensional (2-D) versus 3-D) on predictions of dense nonaqueous phase liquid (DNAPL) infiltration and entrapment in statistically homogeneous, nonuniform permeability fields was investigated using the University of Texas Chemical Compositional Simulator (UTCHEM), a 3-D numerical multiphase simulator. Hysteretic capillary pressure-saturation and relative permeability relationships implemented in UTCHEM were benchmarked against those of another lab-tested simulator, the Michigan-Vertical and Lateral Organic Redistribution (M-VALOR). Simulation of a tetrachloroethene spill in 16 field-scale aquifer realizations generated DNAPL saturation distributions with approximately equivalent distribution metrics in two and three dimensions, with 2-D simulations generally resulting in slightly higher maximum saturations and increased vertical spreading. Variability in 2-D and 3-D distribution metrics across the set of realizations was shown to be correlated at a significance level of 95-99%. Neither spill volume nor release rate appeared to affect these conclusions. Variability in the permeability field did affect spreading metrics by increasing the horizontal spreading in 3-D more than in 2-D in more heterogeneous media simulations. The assumption of isotropic horizontal spatial statistics resulted, on average, in symmetric 3-D saturation distribution metrics in the horizontal directions. The practical implication of this study is that for statistically homogeneous, nonuniform aquifers, 2-D simulations of saturation distributions are good approximations to those obtained in 3-D. However, additional work will be needed to explore the influence of dimensionality on simulated DNAPL dissolution.

Predicting dense nonaqueous phase liquid dissolution using a simplified source depletion model parameterized with partitioning tracers

NASA Astrophysics Data System (ADS)

Basu, Nandita B.; Fure, Adrian D.; Jawitz, James W.

2008-07-01

Simulations of nonpartitioning and partitioning tracer tests were used to parameterize the equilibrium stream tube model (ESM) that predicts the dissolution dynamics of dense nonaqueous phase liquids (DNAPLs) as a function of the Lagrangian properties of DNAPL source zones. Lagrangian, or stream-tube-based, approaches characterize source zones with as few as two trajectory-integrated parameters, in contrast to the potentially thousands of parameters required to describe the point-by-point variability in permeability and DNAPL in traditional Eulerian modeling approaches. The spill and subsequent dissolution of DNAPLs were simulated in two-dimensional domains having different hydrologic characteristics (variance of the log conductivity field = 0.2, 1, and 3) using the multiphase flow and transport simulator UTCHEM. Nonpartitioning and partitioning tracers were used to characterize the Lagrangian properties (travel time and trajectory-integrated DNAPL content statistics) of DNAPL source zones, which were in turn shown to be sufficient for accurate prediction of source dissolution behavior using the ESM throughout the relatively broad range of hydraulic conductivity variances tested here. The results were found to be relatively insensitive to travel time variability, suggesting that dissolution could be accurately predicted even if the travel time variance was only coarsely estimated. Estimation of the ESM parameters was also demonstrated using an approximate technique based on Eulerian data in the absence of tracer data; however, determining the minimum amount of such data required remains for future work. Finally, the stream tube model was shown to be a more unique predictor of dissolution behavior than approaches based on the ganglia-to-pool model for source zone characterization.

Origin of Fe-Ti Oxide Mineralization in the Middle Paleoproterozoic Elet'ozero Syenite-Gabbro Intrusive Complex (Northern Karelia, Russia)

NASA Astrophysics Data System (ADS)

Sharkov, E. V.; Chistyakov, A. V.; Shchiptsov, V. V.; Bogina, M. M.; Frolov, P. V.

2018-03-01

Magmatic oxide mineralization widely developed in syenite-gabbro intrusive complexes is an important Fe and Ti resource. However, its origin is hotly debatable. Some researchers believe that the oxide ores were formed through precipitation of dense Ti-magnetite in an initial ferrogabbroic magma (Bai et al., 2012), whereas others consider them as a product of immiscible splitting of Fe-rich liquid during crystallization of Fe-Ti basaltic magma (Zhou et al., 2013). We consider this problem with a study of the Middle Paleoproterozoic (2086 ± 30 Ma) Elet'ozero Ti-bearing layered intrusive complex in northern Karelia (Baltic Shield). The first ore-bearing phase of the complex is mainly made up of diverse ferrogabbros, with subordinate clinopyroxenites and peridotites. Fe-Ti oxides (magnetite, Ti-magnetite, and ilmenite) usually account for 10-15 vol %, reaching 30-70% in ore varieties. The second intrusive phase is formed by alkaline and nepheline syenites. Petrographical, mineralogical, and geochemical data indicate that the first phase of the intrusion was derived from a moderately alkaline Fe-Ti basaltic melt, while the parental melt of the second phase was close in composition to alkaline trachyte. The orebodies comprise disseminated and massive ores. The disseminated Fe-Ti oxide ores make up lenses and layers conformable to general layering. Massive ores occur in subordinate amounts as layers and lenses, as well as cross-cutting veins. Elevated Nb and Ta contents in Fe-Ti oxides makes it possible to consider them complex ores. It is shown that the Fe-Ti oxide mineralization is related to the formation of a residual (Fe,Ti)-rich liquid, which lasted for the entire solidification history of the first intrusive phase. The liquid originated through multiple enrichment of Fe and Ti in the crystallization zone of the intrusion owing to the following processes: (1) precipitation of silicate minerals in the crystallization zone with a corresponding increase in the Fe and Ti contents in an interstitial melt; and (2) periodic accumulation of the residual melt in front of this zone. Unlike liquid immiscibility leading to melt splitting into two phases, this liquid dissolved the residual components of the melt. Correspondingly, such an Fe-rich liquid has unusual properties and requires further study.

Role of density modulation in the spatially resolved dynamics of strongly confined liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saw, Shibu, E-mail: shibu.saw@sydney.edu.au; Dasgupta, Chandan, E-mail: cdgupta@physics.iisc.ernet.in

Confinement by walls usually produces a strong modulation in the density of dense liquids near the walls. Using molecular dynamics simulations, we examine the effects of the density modulation on the spatially resolved dynamics of a liquid confined between two parallel walls, using a resolution of a fraction of the interparticle distance in the liquid. The local dynamics is quantified by the relaxation time associated with the temporal autocorrelation function of the local density. We find that this local relaxation time varies in phase with the density modulation. The amplitude of the spatial modulation of the relaxation time can bemore » quite large, depending on the characteristics of the wall and thermodynamic parameters of the liquid. To disentangle the effects of confinement and density modulation on the spatially resolved dynamics, we compare the dynamics of a confined liquid with that of an unconfined one in which a similar density modulation is induced by an external potential. We find several differences indicating that density modulation alone cannot account for all the features seen in the spatially resolved dynamics of confined liquids. We also examine how the dynamics near a wall depends on the separation between the two walls and show that the features seen in our simulations persist in the limit of large wall separation.« less

Condensation to a strongly correlated dark fluid of two dimensional dipolar excitons

NASA Astrophysics Data System (ADS)

Mazuz-Harpaz, Yotam; Cohen, Kobi; Rapaport, Ronen

2017-08-01

Recently we reported on the condensation of cold, electrostatically trapped dipolar excitons in GaAs bilayer heterostructure into a new, dense and dark collective phase. Here we analyze and discuss in detail the experimental findings and the emerging evident properties of this collective liquid-like phase. We show that the phase transition is characterized by a sharp increase of the number of non-emitting dipoles, by a clear contraction of the fluid spatial extent into the bottom of the parabolic-like trap, and by spectral narrowing. We extract the total density of the condensed phase which we find to be consistent with the expected density regime of a quantum liquid. We show that there are clear critical temperature and excitation power onsets for the phase transition and that as the power further increases above the critical power, the strong darkening is reduced down until no clear darkening is observed. At this point another transition appears which we interpret as a transition to a strongly repulsive yet correlated e-h plasma. Based on the experimental findings, we suggest that the physical mechanism that may be responsible for the transition is a dynamical final-state stimulation of the dipolar excitons to their dark spin states, which have a long lifetime and thus support the observed sharp increase in density. Further experiments and modeling will hopefully be able to unambiguously identify the physical mechanism behind these recent observations.

Combustion of LOX with H2(sub g) under subcritical, critical, and supercritical conditions and experimental observation of dense spray and mixing of impinging jets

NASA Technical Reports Server (NTRS)

Kuo, Kenneth K.; Hsieh, W. H.; Yang, A. S.; Brown, J. J.; Cheung, F. B.; Woodward, R. D.; Kline, M. C.

1992-01-01

Progress made during the period of February 1 to October 15, 1992 is reported. The overall objective of Task 1 of the investigation is to achieve a better understanding of the combustion processes of liquid oxygen and gaseous hydrogen under subcritical, critical, and supercritical conditions. Specific objectives of the research program are: (1) to determine the evaporation- and burning-rate characteristics of LOX in hydrogen/helium environments under broad ranges of operating conditions; (2) to measure species concentration profile and surface temperature of LOX employing the gas chromatography and fine-wire thermocouples under non-reacting flow situations; (3) to perform a fugacity-based multicomponent thermodynamic phase equilibrium analysis for examining the high-pressure vapor-liquid equilibrium behavior at the liquid surface of LOX; (4) to formulate and solve a theoretical model for simulating the evaporation and combustion processes in a LOX/H2/He system; and (5) to validate the theoretical model with the measured experimental data. Task 2 of the investigation is described. Observation of a like-on-like injector element in the near-injector region performed in the previous phase of this project has identified the existence of a high Reynolds number regime in which the pre-impingement jets are fully turbulent and undergoing surface breakup. The new spray regime, which has not been observed by previous investigators, is characterized by the presence of many fine droplets and the disappearance of the well-defined liquid breakup wave pattern in the post-impingement region. It is speculated that a cavitating region may be present within the orifice so that it could induce strong turbulence, leading to an onset of atomization of the jets prior to impingement. To further investigate the dense spray behavior of the impinging jets in the high Reynolds number region, experiments were conducted using Plexiglas injector components for direct internal flow observation. The main objective is to determine under what conditions a cavitating region would form and whether or not the cavitation is reponsible for the development of the high Reynolds number spray regime. The procedure and major findings of the injector cavitation study are described.

Discrete elastic model for two-dimensional melting.

PubMed

Lansac, Yves; Glaser, Matthew A; Clark, Noel A

2006-04-01

We present a network model for the study of melting and liquid structure in two dimensions, the first in which the presence and energy of topological defects (dislocations and disclinations) and of geometrical defects (elemental voids) can be independently controlled. Interparticle interaction is via harmonic springs and control is achieved by Monte Carlo moves which springs can either be orientationally "flipped" between particles to generate topological defects, or can be "popped" in force-free shape, to generate geometrical defects. With the geometrical defects suppressed the transition to the liquid phase occurs via disclination unbinding, as described by the Kosterlitz-Thouless-Halperin-Nelson-Young model and found in soft potential two-dimensional (2D) systems, such as the dipole-dipole potential [H. H. von Grünberg, Phys. Rev. Lett. 93, 255703 (2004)]. By contrast, with topological defects suppressed, a disordering transition, the Glaser-Clark condensation of geometrical defects [M. A. Glaser and N. A. Clark, Adv. Chem. Phys. 83, 543 (1993); M. A. Glaser, (Springer-Verlag, Berlin, 1990), Vol. 52, p. 141], produces a state that accurately characterizes the local liquid structure and first-order melting observed in hard-potential 2D systems, such as hard disk and the Weeks-Chandler-Andersen (WCA) potentials (M. A. Glaser and co-workers, see above). Thus both the geometrical and topological defect systems play a role in melting. The present work introduces a system in which the relative roles of topological and geometrical defects and their interactions can be explored. We perform Monte Carlo simulations of this model in the isobaric-isothermal ensemble, and present the phase diagram as well as various thermodynamic, statistical, and structural quantities as a function of the relative populations of geometrical and topological defects. The model exhibits a rich phase behavior including hexagonal and square crystals, expanded crystal, dodecagonal quasicrystal, and isotropic liquid phases. In this system the geometrical defects effectively control the melting, reducing the solid-liquid transition temperature by a factor of relative to the topological-only case. The local structure of the dense liquid has been investigated and the results are compared to that from simulations of WCA systems.

Investigation of Underground Hydrocarbon Leakage using Ground Penetrating Radar

NASA Astrophysics Data System (ADS)

Srigutomo, Wahyu; Trimadona; Agustine, Eleonora

2016-08-01

Ground Penetrating Radar (GPR) survey was carried out in several petroleum plants to investigate hydrocarbon contamination beneath the surface. The hydrocarbon spills are generally recognized as Light Non-Aqueous Phase Liquids (LNAPL) if the plume of leakage is distributed in the capillary fringe above the water table and as Dense Non-Aqueous Phase Liquids (DNAPL) if it is below the water table. GPR antennas of 200 MHz and 400 MHz were deployed to obtain clear radargrams until 4 m deep. In general, the interpreted radargram sections indicate the presence of surface concrete layer, the compacted silty soill followed by sand layer and the original clayey soil as well as the water table. The presence of hydrocarbon plumes are identified as shadow zones (radar velocity and intensity contrasts) in the radargram that blur the layering pattern with different intensity of reflected signal. Based on our results, the characteristic of the shadow zones in the radargram is controlled by several factors: types of hydrocarbon (fresh or bio-degraded), water moisture in the soil, and clay content which contribute variation in electrical conductivity and dielectric constants of the soil.

Solutions Remediate Contaminated Groundwater

NASA Technical Reports Server (NTRS)

2010-01-01

During the Apollo Program, NASA workers used chlorinated solvents to clean rocket engine components at launch sites. These solvents, known as dense non-aqueous phase liquids, had contaminated launch facilities to the point of near-irreparability. Dr. Jacqueline Quinn and Dr. Kathleen Brooks Loftin of Kennedy Space Center partnered with researchers from the University of Central Florida's chemistry and engineering programs to develop technology capable of remediating the area without great cost or further environmental damage. They called the new invention Emulsified Zero-Valent Iron (EZVI). The groundwater remediation compound is cleaning up polluted areas all around the world and is, to date, NASA's most licensed technology.

Synthesis and Microstructure Evolution of Nano-Titania Doped Silicon Coatings

NASA Astrophysics Data System (ADS)

Moroz, N. A.; Umapathy, H.; Mohanty, P.

2010-01-01

The Anatase phase of Titania (TiO2) in nanocrystalline form is a well known photocatalyst. Photocatalysts are commercially used to accelerate photoreactions and increase photovoltaic efficiency such as in solar cells. This study investigates the in-flight synthesis of Titania and its doping into a Silicon matrix resulting in a catalyst-dispersed coating. A liquid precursor of Titanium Isopropoxide and ethanol was coaxially fed into the plasma gun to form Titania nanoparticles, while Silicon powder was externally injected downstream. Coatings of 75-150 μm thick were deposited onto flat coupons. Further, Silicon powder was alloyed with aluminum to promote crystallization and reduce the amorphous phase in the Silicon matrix. Dense coatings containing nano-Titania particles were observed under electron microscope. X-ray diffraction showed that both the Rutile and Anatase phases of the Titania exist. The influence of process parameters and aluminum alloying on the microstructure evolution of the doped coatings is analyzed and presented.

Evaluating Trichloroethylene Degradation Using Differing Nano- and Micro-Scale Iron Particles

NASA Technical Reports Server (NTRS)

Berger, Cristina M.; Geiger, Cherie L.; Clausen, Christian A.; Billow, Alexa M.; Quinn, Jacqueline W.; Brooks, Kathleen B.

2006-01-01

Trichioroethylene, or TCE, is a central nervous system depressant and possible carcinogen, as well as a persistent groundwater pollutant. TCE exists in the aquifer either as free product in the form of a dense non-aqueous phase liquid (DNAPL) or as a dissolved-phase constituent. It is only slightly soluble in water, so dissolution of the contaminant is a long-term process and in-situ remediation is difficult. To remedy this, NASA and the University of Central Florida developed Emulsified Zero-Valent Iron, or EZVI. The emulsion droplet contains ZVI particles and water encapsulated by an oil/surfactant membrane, and effectively penetrates to degrade DNAPL-phase TCE. To maximize the efficiency of this process, several commercially available ZVIs of radically different particle sizes and morphologies both in emulsion and as neat (unemulsified) metal were evaluated for relative effectiveness at TCE degradation.

High-pressure melting experiments on Fe-Si alloys and implications for silicon as a light element in the core

NASA Astrophysics Data System (ADS)

Ozawa, Haruka; Hirose, Kei; Yonemitsu, Kyoko; Ohishi, Yasuo

2016-12-01

We carried out melting experiments on Fe-Si alloys to 127 GPa in a laser-heated diamond-anvil cell (DAC). On the basis of textural and chemical characterizations of samples recovered from a DAC, a change in eutectic liquid composition in the Fe-FeSi binary system was examined with increasing pressure. The chemical compositions of coexisting liquid and solid phases were quantitatively determined with field-emission-type electron microprobes. The results demonstrate that silicon content in the eutectic liquid decreases with increasing pressure to less than 1.5 ± 0.1 wt.% Si at 127 GPa. If silicon is a single light element in the core, 4.5 to 12 wt.% Si is required in the outer core in order to account for its density deficit from pure iron. However, such a liquid core, whose composition is on the Si-rich side of the eutectic point, crystallizes less dense solid, CsCl (B2)-type phase at the inner core boundary (ICB). Our data also show that the difference in silicon concentration between coexisting solid and liquid is too small to account for the observed density contrast across the ICB. These indicate that silicon cannot be the sole light element in the core. Previous geochemical and cosmochemical arguments, however, strongly require ∼6 wt.% Si in the core. It is possible that the Earth's core originally included ∼6 wt.% Si but then became depleted in silicon by crystallizing SiO2 or MgSiO3.

Microporous polymer films and methods of their production

DOEpatents

Aubert, James H.

1995-01-01

A process for producing thin microporous polymeric films for a variety of uses. The process utilizes a dense gas (liquified gas or supercritical fluid) selected to combine with a solvent-containing polymeric film so that the solvent is dissolved in the dense gas, the polymer is substantially insoluble in the dense gas, and two phases are formed. A microporous film is obtained by removal of a dense gas-solvent phase.

Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-photoelectron probe spectroscopy.

PubMed

Vöhringer-Martinez, E; Link, O; Lugovoy, E; Siefermann, K R; Wiederschein, F; Grubmüller, H; Abel, B

2014-09-28

Supercritical water and methanol have recently drawn much attention in the field of green chemistry. It is crucial to an understanding of supercritical solvents to know their dynamics and to what extent hydrogen (H) bonds persist in these fluids. Here, we show that with femtosecond infrared (IR) laser pulses water and methanol can be heated to temperatures near and above their critical temperature Tc and their molecular dynamics can be studied via ultrafast photoelectron spectroscopy at liquid jet interfaces with high harmonics radiation. As opposed to previous studies, the main focus here is the comparison between the hydrogen bonded systems of methanol and water and their interpretation by theory. Superheated water initially forms a dense hot phase with spectral features resembling those of monomers in gas phase water. On longer timescales, this phase was found to build hot aggregates, whose size increases as a function of time. In contrast, methanol heated to temperatures near Tc initially forms a broad distribution of aggregate sizes and some gas. These experimental features are also found and analyzed in extended molecular dynamics simulations. Additionally, the simulations enabled us to relate the origin of the different behavior of these two hydrogen-bonded liquids to the nature of the intermolecular potentials. The combined experimental and theoretical approach delivers new insights into both superheated phases and may contribute to understand their different chemical reactivities.

A review of the basic concepts of dense gas dispersion with special regard to modelling of heat transfer

NASA Astrophysics Data System (ADS)

Tasker, M. N.

1984-01-01

Dense gas dispersion is the study of the spreading and dilution of a gas that has a density greater than that of ambient air. Models to predict the dispersion of such dense gases as chlorine, sulfur dioxide, liquefied natural gas, and liquid propane are necessary to prevent a catastrophe in environmental and/or human terms. A basic physical picture of dense gas dispersion is provided. Mathematical and wind tunnel models of dense gas flow are presented and discussed, including the constraints and disadvantages of modelling techniques. Special emphasis is given to heat transfer during dense gas dispersion.

Large Grüneisen Gamma of Dense Silicate Liquids: More Experiments and a First Self- consistent Model

NASA Astrophysics Data System (ADS)

Asimow, P. D.; Mosenfelder, J. L.; Ahrens, T. J.; Sun, D.

2007-12-01

The Grüneisen parameter, γ, of solid materials normally decreases upon compression, approximately as γρq = constant where q=1. However, multiple lines of evidence now indicate the opposite behavior in silicate liquids, in which γ increases upon compression (i.e., q<0). This was observed in shock-melted (Mg,Fe)2SiO4 liquid by Brown et al. [1] via comparison of the Hugoniot and release velocity. We observed the same behavior in Mg2SiO4 liquid (q ≤ -1.5) from comparison of the Hugoniots of forsterite and wadsleyite [2]. First-principles molecular dynamics simulations of MgSiO3 liquid [3] confirm that γ increases with density and show that γ in the liquid phase mimics solids with similar Si coordination state. Hence a continuous increase in γ of silicate liquids to lowermost mantle pressures, well beyond the range where transition to six-coordination of Si is complete, suggests that even higher-coordinated species are forming in the melt and by extension there may be 8- coordinated silicate minerals with stability fields beginning not very far above the Earth's core-mantle boundary pressure [4]. We present new experimental evidence for this behavior in another liquid composition. The Hugoniot of 1400°C anorthite-diopside eutectic liquid was measured at low pressure by Rigden et al. [5] and extended to 110 GPa by our recent work. We collected a Hugoniot point on a solid aggregate of the same composition initially at room temperature, shocked into the melt regime at 133 GPa. The difference in internal energy between this point and the hot liquid Hugoniot allows determination of the γ of this aluminosilicate liquid at 50% compression; the result fits q = -1.85±0.2, entirely consistent with the behavior of enstatite, forsterite, and Fe- bearing olivine liquids. We suggested on the basis of an approximate calculation that the large γ of dense silicate liquids yields a liquid isentrope steeper than the liquidus of a lower mantle magma ocean [2]. Here we show a preliminary self-consistent thermodynamic model of the MgO-SiO2 binary that matches the phase diagrams of MgO, Mg2SiO4, MgSiO3, and SiO2 in the lower mantle, that incorporates negative q in the γ model of the liquid, and that allows calculation of pressure-entropy diagrams showing how model isentropes behave during cooling. We find that for peridotite or chondritic compositions, perovskite crystallization begins at an entropy maximum near 60 GPa. The consequences for geochemical evolution depend on whether these crystals remain turbulently suspended or fractionate [6]; in the case of suspension our model shows that the mush transition affects the entire lower mantle over a rather narrow range in potential temperature. Below this point the solidus does not have a maximum and normal decompression melting behavior is observed. 1. Brown et al., in High-Pressure Research in Mineral Physics, M.H. Manghnani and Y. Syono, Editors. 1987, AGU: Washington, DC. p. 373-384. 2. Mosenfelder et al., J. Geophys. Res., 2007. 112: p. B06208. 3. Stixrude & Karki, Science, 2005. 310(5746): p. 297-299. 4. Akins & Ahrens, Geophys. Res. Lett., 2002. 29(10): 1394-1397. 5. Rigden et al. J. Geophys. Res. 1988. 93(B1): p. 367-382. 6. Solomatov & Stevenson. J. Geophys. Res., 1993. 98(E3): p. 5375-5390.

The Persistence of "Solid" and "Liquid" Naive Conceptions: A Reaction Time Study

ERIC Educational Resources Information Center

Babai, Reuven; Amsterdamer, Anat

2008-01-01

The study explores whether the naive concepts of "solid" and "liquid" persist in adolescence. Accuracy of responses and reaction times where measured while 41 ninth graders classified different solids (rigid, non-rigid and powders) and different liquids (runny, dense) into solid or liquid. The results show that these naive conceptions affect…

Fluid Inclusion Study of Quartz Xenocrysts in Mafic Dykes from Kawant Area, Chhota Udaipur District, Gujarat, India

NASA Astrophysics Data System (ADS)

Randive, Kirtikumar; Hurai, Vratislav

2015-09-01

Unusual mafic dykes occur in the proximity of the Ambadongar Carbonatite Complex, Lower Narmada Valley, Gujarat, India. The dykes contain dense population of quartz xenocrysts within the basaltic matrix metasomatised by carbonate-rich fluids. Plagioclase feldspars, relict pyroxenes, chlorite, barite, rutile, magnetite, Fe-Ti oxides and glass were identified in the basaltic matrix. Quartz xenocrysts occur in various shapes and sizes and form an intricate growth pattern with carbonates. The xenocrysts are fractured and contain several types of primary and secondary, single phase and two-phase fluid inclusions. The two-phase inclusions are dominated by aqueous liquid, whereas the monophase inclusions are composed of carbonic gas and the aqueous inclusions homogenize to liquid between 226°C and 361°C. Majority of the inclusions are secondary in origin and are therefore unrelated to the crystallization of quartz. Moreover, the inclusions have mixed carbonic-aqueous compositions that inhibit their direct correlation with the crustal or mantle fluids. The composition of dilute CO2-rich fluids observed in the quartz xenocrysts appear similar to those exsolved during the final stages of evolution of the Amba Dongar carbonatites. However, the carbonates are devoid of fluid inclusions and therefore their genetic relation with the quartz xenocrysts cannot be established.

Haloing in bimodal magnetic colloids: The role of field-induced phase separation

NASA Astrophysics Data System (ADS)

Magnet, C.; Kuzhir, P.; Bossis, G.; Meunier, A.; Suloeva, L.; Zubarev, A.

2012-07-01

If a suspension of magnetic micrometer-sized and nanosized particles is subjected to a homogeneous magnetic field, the nanoparticles are attracted to the microparticles and form thick anisotropic halos (clouds) around them. Such clouds can hinder the approach of microparticles and result in effective repulsion between them [M. T. López-López, A. Yu. Zubarev, and G. Bossis, Soft Matter10.1039/c0sm00261e 6, 4346 (2010)]. In this paper, we present detailed experimental and theoretical studies of nanoparticle concentration profiles and of the equilibrium shapes of nanoparticle clouds around a single magnetized microsphere, taking into account interactions between nanoparticles. We show that at a strong enough magnetic field, the ensemble of nanoparticles experiences a gas-liquid phase transition such that a dense liquid phase is condensed around the magnetic poles of a microsphere while a dilute gas phase occupies the rest of the suspension volume. Nanoparticle accumulation around a microsphere is governed by two dimensionless parameters—the initial nanoparticle concentration (φ0) and the magnetic-to-thermal energy ratio (α)—and the three accumulation regimes are mapped onto a α-φ0 phase diagram. Our local thermodynamic equilibrium approach gives a semiquantitative agreement with the experiments on the equilibrium shapes of nanoparticle clouds. The results of this work could be useful for the development of the bimodal magnetorheological fluids and of the magnetic separation technologies used in bioanalysis and water purification systems.

On the Crossover from Classical to Fermi Liquid Behavior in Dense Plasmas

NASA Astrophysics Data System (ADS)

Daligault, Jerome

2017-10-01

We explore the crossover from classical plasma to quantum Fermi liquid behavior of electrons in dense plasmas. To this end, we analyze the evolution with density and temperature of the momentum lifetime of a test electron introduced in a dense electron gas. This allows us 1) to determine the boundaries of the crossover region in the temperature-density plane and to shed light on the evolution of scattering properties across it, 2) to quantify the role of the fermionic nature of electrons on electronic collisions across the crossover region, and 3) to explain how the concept of Coulomb logarithm emerges at high enough temperature but disappears at low enough temperature. Work supported by LDRD Grant No. 20170490ER.

Microporous polymer films and methods of their production

DOEpatents

Aubert, J.H.

1995-06-06

A process is described for producing thin microporous polymeric films for a variety of uses. The process utilizes a dense gas (liquefied gas or supercritical fluid) selected to combine with a solvent-containing polymeric film so that the solvent is dissolved in the dense gas, the polymer is substantially insoluble in the dense gas, and two phases are formed. A microporous film is obtained by removal of a dense gas-solvent phase. 9 figs.

Thermoelectrics. Dense dislocation arrays embedded in grain boundaries for high-performance bulk thermoelectrics.

PubMed

Kim, Sang Il; Lee, Kyu Hyoung; Mun, Hyeon A; Kim, Hyun Sik; Hwang, Sung Woo; Roh, Jong Wook; Yang, Dae Jin; Shin, Weon Ho; Li, Xiang Shu; Lee, Young Hee; Snyder, G Jeffrey; Kim, Sung Wng

2015-04-03

The widespread use of thermoelectric technology is constrained by a relatively low conversion efficiency of the bulk alloys, which is evaluated in terms of a dimensionless figure of merit (zT). The zT of bulk alloys can be improved by reducing lattice thermal conductivity through grain boundary and point-defect scattering, which target low- and high-frequency phonons. Dense dislocation arrays formed at low-energy grain boundaries by liquid-phase compaction in Bi(0.5)Sb(1.5)Te3 (bismuth antimony telluride) effectively scatter midfrequency phonons, leading to a substantially lower lattice thermal conductivity. Full-spectrum phonon scattering with minimal charge-carrier scattering dramatically improved the zT to 1.86 ± 0.15 at 320 kelvin (K). Further, a thermoelectric cooler confirmed the performance with a maximum temperature difference of 81 K, which is much higher than current commercial Peltier cooling devices. Copyright © 2015, American Association for the Advancement of Science.

Biomechanical ordering and buckling due to microbial growth confined at oil-water interfaces

NASA Astrophysics Data System (ADS)

Juarez, Gabriel; Stocker, Roman

2015-11-01

Bacteria are unicellular organisms that often exist as densely populated, surface-associated communities. Bacteria are also environmental colloids and spontaneously attach and self-assemble at liquid-liquid interfaces. Here, we present results on the growth dynamics of individual rod-shaped bacteria confined to finite oil-water interfaces of varying curvature. Through experiments using microfluidic chambers and time-lapse microscopy, we study the formation of macroscopic structures observed as adsorbed bacteria grow, divide, and self-assemble in a nematic phase due to biomechanical interactions. The continued growth at the interface leads to a jammed monolayer of cells, which then causes the interface to buckle and undergo large deformations including wrinkling and tubulation. These observations highlight the interplay between physical environment, such as confinement and interface curvature, and active biological processes, such as growth, at the scale of individual agents and shape our understanding of macroscale processes such as microbial degradation of oil in the ocean.

Direct Numerical Simulation of Liquid Nozzle Spray with Comparison to Shadowgraphy and X-Ray Computed Tomography Experimental Results

NASA Astrophysics Data System (ADS)

van Poppel, Bret; Owkes, Mark; Nelson, Thomas; Lee, Zachary; Sowell, Tyler; Benson, Michael; Vasquez Guzman, Pablo; Fahrig, Rebecca; Eaton, John; Kurman, Matthew; Kweon, Chol-Bum; Bravo, Luis

2014-11-01

In this work, we present high-fidelity Computational Fluid Dynamics (CFD) results of liquid fuel injection from a pressure-swirl atomizer and compare the simulations to experimental results obtained using both shadowgraphy and phase-averaged X-ray computed tomography (CT) scans. The CFD and experimental results focus on the dense near-nozzle region to identify the dominant mechanisms of breakup during primary atomization. Simulations are performed using the NGA code of Desjardins et al (JCP 227 (2008)) and employ the volume of fluid (VOF) method proposed by Owkes and Desjardins (JCP 270 (2013)), a second order accurate, un-split, conservative, three-dimensional VOF scheme providing second order density fluxes and capable of robust and accurate high density ratio simulations. Qualitative features and quantitative statistics are assessed and compared for the simulation and experimental results, including the onset of atomization, spray cone angle, and drop size and distribution.

Characterisation of dense non-aqueous phase liquids of coal tar using comprehensive two-dimensional gas chromatography coupled with time of flight mass spectrometry.

NASA Astrophysics Data System (ADS)

Gauchotte-Lindsay, Caroline; McGregor, Laura; Richards, Phil; Kerr, Stephanie; Glenn, Aliyssa; Thomas, Russell; Kalin, Robert

2013-04-01

Comprehensive two-dimensional gas chromatography (GCxGC) is a recently developed analytical technique in which two capillary columns with different stationary phases are placed in series enabling planar resolution of the analytes. The resolution power of GCxGC is one order of magnitude higher than that of one dimension gas chromatography. Because of its high resolution capacity, the use of GCxGC for complex environmental samples such as crude oils, petroleum derivatives and polychlorinated biphenyls mixtures has rapidly grown in recent years. We developed a one-step method for the forensic analysis of coal tar dense non-aqueous phase liquids (DNAPLs) from former manufactured gas plant (FMGP) sites. Coal tar is the by-product of the gasification of coal for heating and lighting and it is composed of thousands of organic and inorganic compounds. Before the boom of natural gases and oils, most towns and cities had one or several manufactured gas plants that have, in many cases, left a devastating environmental print due to coal tar contamination. The fate of coal tar DNAPLs, which can persist in the environment for more than a hundred years, is therefore of crucial interest. The presented analytical method consists of a unique clean-up/ extraction stage by pressurized liquid extraction and a single analysis of its organic chemical composition using GCxGC coupled with time of flight mass spectrometry (TOFMS). The chemical fingerprinting is further improved by derivatisation by N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) of the tar compounds containing -OH functions such as alcohols and carboxylic acids. We present here how, using the logical order of elution in GCxGC-TOFMS system, 1) the identification of never before observed -OH containing compounds is possible and 2) the isomeric selectivity of an oxidation reaction on a DNAPL sample can be revealed. Using samples collected at various FMGP sites, we demonstrate how this GCxGC method enables the simultaneous uncovering of information on the source of the coal tar, particularly the coal gasification process it originates from, and on its fate once released in the subsurface, i.e. the nature of the transformations it underwent such as evaporation, water-washing, chemical reactions or biodegradation.

A Transition to Metallic Hydrogen: Evidence of the Plasma Phase Transition

NASA Astrophysics Data System (ADS)

Silvera, Isaac; Zaghoo, Mohamed; Salamat, Ashkan

The insulator-metal transition in hydrogen is one of the most outstanding problems in condensed matter physics. The high-pressure metallic phase is now predicted to be liquid atomic from T =0 K to very high temperatures. We have conducted measurements of optical properties of hot dense hydrogen in the region of 1.1-1.7 Mbar and up to 2200 K in a diamond anvil cell using pulsed laser heating of the sample. We present evidence in two forms: a plateau in the heating curves (average laser power vs temperature) characteristic of a first-order phase transition with latent heat, and changes in transmittance and reflectance characteristic of a metal for temperatures above the plateau temperature. For thick films the reflectance saturates at ~0.5. The phase line of this transition has a negative slope in agreement with theories of the so-called plasma phase transition. The NSF, Grant DMR-1308641, the DOE Stockpile Stewardship Academic Alliance Program, Grant DE-FG52-10NA29656, and NASA Earth and Space Science Fellowship Program, Award NNX14AP17H supported this research.

A laboratory method for precisely determining the micro-volume-magnitudes of liquid efflux

NASA Technical Reports Server (NTRS)

Cloutier, R. L.

1969-01-01

Micro-volumetric quantities of ejected liquid are made to produce equal volumetric displacements of a more dense material. Weight measurements are obtained on the displaced heavier liquid and used to calculate volumes based upon the known density of the heavy medium.

First-principles calculation of entropy for liquid metals.

PubMed

Desjarlais, Michael P

2013-12-01

We demonstrate the accurate calculation of entropies and free energies for a variety of liquid metals using an extension of the two-phase thermodynamic (2PT) model based on a decomposition of the velocity autocorrelation function into gas-like (hard sphere) and solid-like (harmonic) subsystems. The hard sphere model for the gas-like component is shown to give systematically high entropies for liquid metals as a direct result of the unphysical Lorentzian high-frequency tail. Using a memory function framework we derive a generally applicable velocity autocorrelation and frequency spectrum for the diffusive component which recovers the low-frequency (long-time) behavior of the hard sphere model while providing for realistic short-time coherence and high-frequency tails to the spectrum. This approach provides a significant increase in the accuracy of the calculated entropies for liquid metals and is compared to ambient pressure data for liquid sodium, aluminum, gallium, tin, and iron. The use of this method for the determination of melt boundaries is demonstrated with a calculation of the high-pressure bcc melt boundary for sodium. With the significantly improved accuracy available with the memory function treatment for softer interatomic potentials, the 2PT model for entropy calculations should find broader application in high energy density science, warm dense matter, planetary science, geophysics, and material science.

First-principles calculation of entropy for liquid metals

NASA Astrophysics Data System (ADS)

Desjarlais, Michael P.

2013-12-01

We demonstrate the accurate calculation of entropies and free energies for a variety of liquid metals using an extension of the two-phase thermodynamic (2PT) model based on a decomposition of the velocity autocorrelation function into gas-like (hard sphere) and solid-like (harmonic) subsystems. The hard sphere model for the gas-like component is shown to give systematically high entropies for liquid metals as a direct result of the unphysical Lorentzian high-frequency tail. Using a memory function framework we derive a generally applicable velocity autocorrelation and frequency spectrum for the diffusive component which recovers the low-frequency (long-time) behavior of the hard sphere model while providing for realistic short-time coherence and high-frequency tails to the spectrum. This approach provides a significant increase in the accuracy of the calculated entropies for liquid metals and is compared to ambient pressure data for liquid sodium, aluminum, gallium, tin, and iron. The use of this method for the determination of melt boundaries is demonstrated with a calculation of the high-pressure bcc melt boundary for sodium. With the significantly improved accuracy available with the memory function treatment for softer interatomic potentials, the 2PT model for entropy calculations should find broader application in high energy density science, warm dense matter, planetary science, geophysics, and material science.

Bias-induced conformational switching of supramolecular networks of trimesic acid at the solid-liquid interface

NASA Astrophysics Data System (ADS)

Ubink, J.; Enache, M.; Stöhr, M.

2018-05-01

Using the tip of a scanning tunneling microscope, an electric field-induced reversible phase transition between two planar porous structures ("chickenwire" and "flower") of trimesic acid was accomplished at the nonanoic acid/highly oriented pyrolytic graphite interface. The chickenwire structure was exclusively observed for negative sample bias, while for positive sample bias only the more densely packed flower structure was found. We suggest that the slightly negatively charged carboxyl groups of the trimesic acid molecule are the determining factor for this observation: their adsorption behavior varies with the sample bias and is thus responsible for the switching behavior.

Transport of metals and sulphur in magmas by flotation of sulphide melt on vapour bubbles

NASA Astrophysics Data System (ADS)

Mungall, J. E.; Brenan, J. M.; Godel, B.; Barnes, S. J.; Gaillard, F.

2015-03-01

Emissions of sulphur and metals from magmas in Earth’s shallow crust can have global impacts on human society. Sulphur-bearing gases emitted into the atmosphere during volcanic eruptions affect climate, and metals and sulphur can accumulate in the crust above a magma reservoir to form giant copper and gold ore deposits, as well as massive sulphur anomalies. The volumes of sulphur and metals that accumulate in the crust over time exceed the amounts that could have been derived from an isolated magma reservoir. They are instead thought to come from injections of multiple new batches of vapour- and sulphide-saturated magmas into the existing reservoirs. However, the mechanism for the selective upward transfer of sulphur and metals is poorly understood because their main carrier phase, sulphide melt, is dense and is assumed to settle to the bottoms of magma reservoirs. Here we use laboratory experiments as well as gas-speciation and mass-balance models to show that droplets of sulphide melt can attach to vapour bubbles to form compound drops that float. We demonstrate the feasibility of this mechanism for the upward mobility of sulphide liquids to the shallow crust. Our work provides a mechanism for the atmospheric release of large amounts of sulphur, and contradicts the widely held assumption that dense sulphide liquids rich in sulphur, copper and gold will remain sequestered in the deep crust.

Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holst, Bastian; French, Martin; Redmer, Ronald

2011-06-15

Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated within ab initio molecular dynamics simulations in order to study the thermoelectric transport coefficients in dense liquid hydrogen, especially near the nonmetal-to-metal transition region. We also observe significant deviations from the widely used Wiedemann-Franz law, which is strictly valid only for degenerate systems, and give an estimate for its valid scope of application toward lower densities.

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids.

PubMed

Dahlberg, Jerry; Tkacik, Peter T; Mullany, Brigid; Fleischhauer, Eric; Shahinian, Hossein; Azimi, Farzad; Navare, Jayesh; Owen, Spencer; Bisel, Tucker; Martin, Tony; Sholar, Jodie; Keanini, Russell G

2017-12-04

An analog, macroscopic method for studying molecular-scale hydrodynamic processes in dense gases and liquids is described. The technique applies a standard fluid dynamic diagnostic, particle image velocimetry (PIV), to measure: i) velocities of individual particles (grains), extant on short, grain-collision time-scales, ii) velocities of systems of particles, on both short collision-time- and long, continuum-flow-time-scales, iii) collective hydrodynamic modes known to exist in dense molecular fluids, and iv) short- and long-time-scale velocity autocorrelation functions, central to understanding particle-scale dynamics in strongly interacting, dense fluid systems. The basic system is composed of an imaging system, light source, vibrational sensors, vibrational system with a known media, and PIV and analysis software. Required experimental measurements and an outline of the theoretical tools needed when using the analog technique to study molecular-scale hydrodynamic processes are highlighted. The proposed technique provides a relatively straightforward alternative to photonic and neutron beam scattering methods traditionally used in molecular hydrodynamic studies.

Understanding shape entropy through local dense packing

DOE PAGES

van Anders, Greg; Klotsa, Daphne; Ahmed, N. Khalid; ...

2014-10-24

Entropy drives the phase behavior of colloids ranging from dense suspensions of hard spheres or rods to dilute suspensions of hard spheres and depletants. Entropic ordering of anisotropic shapes into complex crystals, liquid crystals, and even quasicrystals was demonstrated recently in computer simulations and experiments. The ordering of shapes appears to arise from the emergence of directional entropic forces (DEFs) that align neighboring particles, but these forces have been neither rigorously defined nor quantified in generic systems. In this paper, we show quantitatively that shape drives the phase behavior of systems of anisotropic particles upon crowding through DEFs. We definemore » DEFs in generic systems and compute them for several hard particle systems. We show they are on the order of a few times the thermal energy (k BT) at the onset of ordering, placing DEFs on par with traditional depletion, van der Waals, and other intrinsic interactions. In experimental systems with these other interactions, we provide direct quantitative evidence that entropic effects of shape also contribute to self-assembly. We use DEFs to draw a distinction between self-assembly and packing behavior. We show that the mechanism that generates directional entropic forces is the maximization of entropy by optimizing local particle packing. Finally, we show that this mechanism occurs in a wide class of systems and we treat, in a unified way, the entropy-driven phase behavior of arbitrary shapes, incorporating the well-known works of Kirkwood, Onsager, and Asakura and Oosawa.« less

Hot super-dense compact object with particular EoS

NASA Astrophysics Data System (ADS)

Tito, E. P.; Pavlov, V. I.

2018-03-01

We show the possibility of existence of a self-gravitating spherically-symmetric equilibrium configuration for a neutral matter with neutron-like density, small mass M ≪ M_{⊙}, and small radius R ≪ R_{⊙}. We incorporate the effects of both the special and general theories of relativity. Such object may be formed in a cosmic cataclysm, perhaps an exotic one. Since the base equations of hydrostatic equilibrium are completed by the equation of state (EoS) for the matter of the object, we offer a novel, interpolating experimental data from high-energy physics, EoS which permits the existence of such compact system of finite radius. This EoS model possesses a critical state characterized by density ρc and temperature Tc. For such an object, we derive a radial distribution for the super-dense matter in "liquid" phase using Tolman-Oppenheimer-Volkoff equations for hydrostatic equilibrium. We demonstrate that a stable configuration is indeed possible (only) for temperatures smaller than the critical one. We derive the mass-radius relation (adjusted for relativistic corrections) for such small (M ≪ M_{⊙}) super-dense compact objects. The results are within the constraints established by both heavy-ion collision experiments and theoretical studies of neutron-rich matter.

Symmetry breaking in nematic liquid crystals: analogy with cosmology and magnetism.

PubMed

Repnik, R; Ranjkesh, A; Simonka, V; Ambrozic, M; Bradac, Z; Kralj, S

2013-10-09

Universal behavior related to continuous symmetry breaking in nematic liquid crystals is studied using Brownian molecular dynamics. A three-dimensional lattice system of rod-like objects interacting via the Lebwohl-Lasher interaction is considered. We test the applicability of predictions originally derived in cosmology and magnetism. In the first part we focus on coarsening dynamics following the temperature driven isotropic-nematic phase transition for different quench rates. The behavior in the early coarsening regime supports predictions made originally by Kibble in cosmology. For fast enough quenches, symmetry breaking and causality give rise to a dense tangle of defects. When the degree of orientational ordering is large enough, well defined protodomains characterized by a single average domain length are formed. With time subcritical domains gradually vanish and supercritical domains grow with time, exhibiting a universal scaling law. In the second part of the paper we study the impact of random-field-type disorder on a range of ordering in the (symmetry broken) nematic phase. We demonstrate that short-range order is observed even for a minute concentration of impurities, giving rise to disorder in line with the Imry-Ma theorem prediction only for the appropriate history of systems.

Electron transparent graphene windows for environmental scanning electron microscopy in liquids and dense gases.

PubMed

Stoll, Joshua D; Kolmakov, Andrei

2012-12-21

Due to its ultrahigh electron transmissivity in a wide electron energy range, molecular impermeability, high electrical conductivity and excellent mechanical stiffness, suspended graphene membranes appear to be a nearly ideal window material for in situ (in vivo) environmental electron microscopy of nano- and mesoscopic objects (including bio-medical samples) immersed in liquids and/or in dense gaseous media. In this paper, taking advantage of a small modification of the graphene transfer protocol onto metallic and SiN supporting orifices, reusable environmental cells with exchangeable graphene windows have been designed. Using colloidal gold nanoparticles (50 nm) dispersed in water as model objects for scanning electron microscopy in liquids as proof of concept, different conditions for imaging through the graphene membrane were tested. Limiting factors for electron microscopy in liquids, such as electron beam induced water radiolysis and damage of the graphene membrane at high electron doses, are discussed.

Specific Adhesion of Lipid Membranes Can Simultaneously Produce Two Types of Lipid and Protein Heterogeneities

NASA Astrophysics Data System (ADS)

Shindell, Orrin; Micah, Natalie; Ritzer, Max; Gordon, Vernita

2015-03-01

Living cells adhere to one another and their environment. Adhesion is associated with re-organization of the lipid and protein components of the cell membrane. The resulting heterogeneities are functional structures involved in biological processes. We use artificial lipid membranes that contain a single type of binding protein. Before adhesion, the lipid, protein, and dye components in the membrane are well-mixed and constitute a single disordered-liquid phase (Ld) . After adhesion, two distinct types of heterogeneities coexist in the adhesion zone: a central domain of ordered lipid phase that excludes both binding proteins and membrane dye, and a peripheral domain of disordered lipid phase that is densely packed with adhesion proteins and enriched in membrane dye relative to the non-adhered portion of the vesicle. Thus, we show that adhesion that is mediated by only one type of protein can organize the lipid and protein components of the membranes into heterogeneities that resemble those found in biology, for example the immune synapse.

Ultra high temperature ceramics for hypersonic vehicle applications.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tandon, Rajan; Dumm, Hans Peter; Corral, Erica L.

2006-01-01

HfB{sub 2} and ZrB{sub 2} are of interest for thermal protection materials because of favorable thermal stability, mechanical properties, and oxidation resistance. We have made dense diboride ceramics with 2 to 20 % SiC by hot pressing at 2000 C and 5000 psi. High-resolution transmission electron microscopy (TEM) shows very thin grain boundary phases that suggest liquid phase sintering. Fracture toughness measurements give RT values of 4 to 6 MPam{sup 1/2}. Four-pt flexure strengths measured in air up to 1450 C were as high as 450-500 MPa. Thermal diffusivities were measured to 2000 C for ZrB{sub 2} and HfB{sub 2}more » ceramics with SiC contents from 2 to 20%. Thermal conductivities were calculated from thermal diffusivities and measured heat capacities. Thermal diffusivities were modeled using different two-phase composite models. These materials exhibit excellent high temperature properties and are attractive for further development for thermal protection systems.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solis, Kyle J.; Martin, James E.

In recent years a rich variety of emergent phenomena have been observed when suspensions of magnetic particles are subjected to alternating magnetic fields. These particle assemblies often exhibit vigorous dynamics due to the injection of energy from the field. These include surface and interface phenomena, such as highly organized, segmented “snakes” that can be induced to swim by structural symmetry breaking, and “asters” and “anti-asters,” particle assemblies that can be manipulated to capture and transport cargo. In bulk suspensions of magnetic platelets subjected to multiaxial alternating fields, advection lattices and even vortex lattices have been created, and a variety ofmore » biomimetic dynamics – serpents, bees and amoebas – have been discovered in magnetic fluids suspended in an immiscible liquid. In this paper several new driven phases are presented, including flying chevrons, dense spinning clusters, filaments, and examples of phase coexistence in driven phases. These observations broaden the growing field of driven magnetic suspensions and present new challenges to those interested in simulating the dynamics of these complex systems.« less

Fast fluidized bed steam generator

DOEpatents

Bryers, Richard W.; Taylor, Thomas E.

1980-01-01

A steam generator in which a high-velocity, combustion-supporting gas is passed through a bed of particulate material to provide a fluidized bed having a dense-phase portion and an entrained-phase portion for the combustion of fuel material. A first set of heat transfer elements connected to a steam drum is vertically disposed above the dense-phase fluidized bed to form a first flow circuit for heat transfer fluid which is heated primarily by the entrained-phase fluidized bed. A second set of heat transfer elements connected to the steam drum and forming the wall structure of the furnace provides a second flow circuit for the heat transfer fluid, the lower portion of which is heated by the dense-phase fluidized bed and the upper portion by the entrained-phase fluidized bed.

Solute diffusion in liquid metals

NASA Technical Reports Server (NTRS)

Bhat, B. N.

1973-01-01

A gas model of diffusion in liquid metals is presented. In this model, ions of liquid metals are assumed to behave like the molecules in a dense gas. Diffusion coefficient of solute is discussed with reference to its mass, ionic size, and pair potential. The model is applied to the case of solute diffusion in liquid silver. An attempt was made to predict diffusion coefficients of solutes with reasonable accuracy.

Chemistry and Evolution of Interstellar Clouds

NASA Technical Reports Server (NTRS)

Wooden, D. H.; Charnley, S. B.; Ehrenfreund, P.

2003-01-01

In this chapter we describe how elements have been and are still being formed in the galaxy and how they are transformed into the reservoir of materials present at the time of formation of our protosolar nebula. We discuss the global cycle of matter, beginning at its formation site in stars, where it is ejected through winds and explosions into the diffuse interstellar medium. In the next stage of the global cycle occurs in cold, dense molecular clouds, where the complexity of molecules and ices increases relative to the diffuse ISM.. When a protostar forms in a dense core within a molecular cloud, it heats the surrounding infalling matter warms and releases molecules from the solid phase into the gas phase in a warm, dense core, sponsoring a rich gas-phase chemistry. Some material from the cold and warm regions within molecular clouds probably survives as interstellar matter in the protostellar disk. For the diffuse ISM, for cold, dense clouds, and for dense-warm cores, the physio-chemical processes that occur within the gas and solid phases are discussed in detail.

Chevrons, filaments, spinning clusters and phase coexistence: emergent dynamics of 2- and 3-d particle suspensions driven by multiaxial magnetic fields

DOE PAGES

Solis, Kyle J.; Martin, James E.

2017-07-06

In recent years a rich variety of emergent phenomena have been observed when suspensions of magnetic particles are subjected to alternating magnetic fields. These particle assemblies often exhibit vigorous dynamics due to the injection of energy from the field. These include surface and interface phenomena, such as highly organized, segmented “snakes” that can be induced to swim by structural symmetry breaking, and “asters” and “anti-asters,” particle assemblies that can be manipulated to capture and transport cargo. In bulk suspensions of magnetic platelets subjected to multiaxial alternating fields, advection lattices and even vortex lattices have been created, and a variety ofmore » biomimetic dynamics – serpents, bees and amoebas – have been discovered in magnetic fluids suspended in an immiscible liquid. In this paper several new driven phases are presented, including flying chevrons, dense spinning clusters, filaments, and examples of phase coexistence in driven phases. These observations broaden the growing field of driven magnetic suspensions and present new challenges to those interested in simulating the dynamics of these complex systems.« less

A semi-Lagrangian transport method for kinetic problems with application to dense-to-dilute polydisperse reacting spray flows

NASA Astrophysics Data System (ADS)

Doisneau, François; Arienti, Marco; Oefelein, Joseph C.

2017-01-01

For sprays, as described by a kinetic disperse phase model strongly coupled to the Navier-Stokes equations, the resolution strategy is constrained by accuracy objectives, robustness needs, and the computing architecture. In order to leverage the good properties of the Eulerian formalism, we introduce a deterministic particle-based numerical method to solve transport in physical space, which is simple to adapt to the many types of closures and moment systems. The method is inspired by the semi-Lagrangian schemes, developed for Gas Dynamics. We show how semi-Lagrangian formulations are relevant for a disperse phase far from equilibrium and where the particle-particle coupling barely influences the transport; i.e., when particle pressure is negligible. The particle behavior is indeed close to free streaming. The new method uses the assumption of parcel transport and avoids to compute fluxes and their limiters, which makes it robust. It is a deterministic resolution method so that it does not require efforts on statistical convergence, noise control, or post-processing. All couplings are done among data under the form of Eulerian fields, which allows one to use efficient algorithms and to anticipate the computational load. This makes the method both accurate and efficient in the context of parallel computing. After a complete verification of the new transport method on various academic test cases, we demonstrate the overall strategy's ability to solve a strongly-coupled liquid jet with fine spatial resolution and we apply it to the case of high-fidelity Large Eddy Simulation of a dense spray flow. A fuel spray is simulated after atomization at Diesel engine combustion chamber conditions. The large, parallel, strongly coupled computation proves the efficiency of the method for dense, polydisperse, reacting spray flows.

A semi-Lagrangian transport method for kinetic problems with application to dense-to-dilute polydisperse reacting spray flows

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doisneau, François, E-mail: fdoisne@sandia.gov; Arienti, Marco, E-mail: marient@sandia.gov; Oefelein, Joseph C., E-mail: oefelei@sandia.gov

For sprays, as described by a kinetic disperse phase model strongly coupled to the Navier–Stokes equations, the resolution strategy is constrained by accuracy objectives, robustness needs, and the computing architecture. In order to leverage the good properties of the Eulerian formalism, we introduce a deterministic particle-based numerical method to solve transport in physical space, which is simple to adapt to the many types of closures and moment systems. The method is inspired by the semi-Lagrangian schemes, developed for Gas Dynamics. We show how semi-Lagrangian formulations are relevant for a disperse phase far from equilibrium and where the particle–particle coupling barelymore » influences the transport; i.e., when particle pressure is negligible. The particle behavior is indeed close to free streaming. The new method uses the assumption of parcel transport and avoids to compute fluxes and their limiters, which makes it robust. It is a deterministic resolution method so that it does not require efforts on statistical convergence, noise control, or post-processing. All couplings are done among data under the form of Eulerian fields, which allows one to use efficient algorithms and to anticipate the computational load. This makes the method both accurate and efficient in the context of parallel computing. After a complete verification of the new transport method on various academic test cases, we demonstrate the overall strategy's ability to solve a strongly-coupled liquid jet with fine spatial resolution and we apply it to the case of high-fidelity Large Eddy Simulation of a dense spray flow. A fuel spray is simulated after atomization at Diesel engine combustion chamber conditions. The large, parallel, strongly coupled computation proves the efficiency of the method for dense, polydisperse, reacting spray flows.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Xiang; Zhang, Shuai; Jiao, Fang

Two-step nucleation pathways in which disordered, amorphous, or dense liquid states precede appearance of crystalline phases have been reported for a wide range of materials, but the dynamics of such pathways are poorly understood. Moreover, whether these pathways are general features of crystallizing systems or a consequence of system-specific structural details that select for direct vs two-step processes is unknown. Using atomic force microscopy to directly observe crystallization of sequence-defined polymers, we show that crystallization pathways are indeed sequence dependent. When a short hydrophobic region is added to a sequence that directly forms crystalline particles, crystallization instead follows a two-stepmore » pathway that begins with creation of disordered clusters of 10-20 molecules and is characterized by highly non-linear crystallization kinetics in which clusters transform into ordered structures that then enter the growth phase. The results shed new light on non-classical crystallization mechanisms and have implications for design of self-assembling polymer systems.« less

St. Fergus terminal gets turboexpanders for critical service

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lillard, J.K.; Nicol, G.

1994-09-05

To expand the St. Fergus gas-reception terminal for the Scottish Area Gas Evacuation (SAGE) system, Mobil North Sea Ltd. is adding a second separation train and two treatment trains. To meet pipeline-gas specifications over a wide range of low rates and feed-gas compositions, single-stage turboexpander chilling was selected over Joule-Thomson valve expansion. Four turboexpanders (two per process train) will operate in parallel to achieve the required performance over the entire flow range of 90--575 MMscfd per process train. Unusual operating conditions for the turboexpanders include dense-phase inlet gas, expansion near the cricondenbar, and high equilibrium liquid content at the exhaustmore » (up to 50 wt %). The two turboexpanders in each train share common suction and discharge facilities as do their associated brake compressor. Details of the more than 400 million pounds Sterling Phase B discussed here include commissioning, start-up, and operation.« less

Modified Ion-Conducting Ceramics Based on Lanthanum Gallate: Synthesis, Structure, and Properties

NASA Astrophysics Data System (ADS)

Kaleva, G. M.; Politova, E. D.; Mosunov, A. V.; Sadovskaya, N. V.

2018-06-01

A review is presented of the synthesis and complex investigation of modified ion-conducting ceramics based on heterosubstituted lanthanum gallate as a promising electrolyte material for solid oxide fuel cells. The effect the composition of multicomponent complex oxides has on the structure, microstructure, and electrophysical properties of ceramics is examined. Samples of ceramics with new compositions are produced via solid-state synthesis and modified with lithium fluoride. A drop is observed in the sintering temperature of the ceramics, caused by the liquid phase mechanism of sintering as a result of the low-melting superstoichiometric quantities of the additive. The effect lithium fluoride has on the process of phase formation, microstructure, and conductivity of the ceramics is investigated. It is found that samples modified with lithium fluoride display high density, dense grain packing, and high values of electrical conductivity at high temperatures.

NiTi-Nb micro-trusses fabricated via extrusion-based 3D-printing of powders and transient-liquid-phase sintering.

PubMed

Taylor, Shannon L; Ibeh, Amaka J; Jakus, Adam E; Shah, Ramille N; Dunand, David C

2018-06-15

We present a novel additive manufacturing method for NiTi-Nb micro-trusses combining (i) extrusion-based 3D-printing of liquid inks containing NiTi and Nb powders, solvents, and a polymer binder into micro-trusses with 0/90° ABAB layers of parallel, ∼600 µm struts spaced 1 mm apart and (ii) subsequent heat-treatment to remove the binder and solvents, and then bond the NiTi powders using liquid phase sintering via the formation of a transient NiTi-Nb eutectic phase. We investigate the effects of Nb concentration (0, 1.5, 3.1, 6.7 at.% Nb) on the porosity, microstructure, and phase transformations of the printed NiTi-Nb micro-trusses. Micro-trusses with the highest Nb content exhibit long channels (from 3D-printing) and struts with smaller interconnected porosity (from partial sintering), resulting in overall porosities of ∼75% and low compressive stiffnesses of 1-1.6 GPa, similar to those of trabecular bone and in agreement with analytical and finite element modeling predictions. Diffusion of Nb into the NiTi particles from the bond regions results in a Ni-rich composition as the Nb replaces Ti atoms, leading to decreased martensite/austenite transformation temperatures. Adult human mesenchymal stem cells seeded on these micro-trusses showed excellent viability, proliferation, and extracellular matrix deposition over 14 days in culture. Near-equiatomic NiTi micro-trusses are attractive for biomedical applications such as stents, actuators, and bone implants because of their combination of biocompatibility, low compressive stiffness, high surface area, and shape-memory or superelasticity. Extrusion-based 3D-printing of NiTi powder-based inks into micro-trusses is feasible, but the subsequent sintering of the powders into dense struts is unachievable due to low diffusivity, large particle size, and low packing density of the NiTi powders. We present a solution, whereby Nb powders are added to the NiTi inks, thus forming during sintering a eutectic NiTi-Nb liquid phase which bonds the solid NiTi powders and improves densification of the struts. This study investigates the microstructure, porosity, phase transformation behavior, compressive stiffness, and cytocompatibility of these printed NiTi-Nb micro-trusses. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Transport, Targeting, and Applications of Metallic Functional Nanoparticles for Degradation of DNAPL Chlorinated Organic Solvents

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gregory V. Lowry; Sara Majetich; Krzysztof Matyjaszewski

2006-12-27

Dense Non-Aqueous Phase Liquid (DNAPL) such as trichloroethylene act as long term sources of groundwater contaminants and are difficult and expensive to remediate. DNAPL-contaminated sites are a significant financial liability for the Department of Energy and the private sector. The objective of this study was to engineer reactive Fe-based nanoparticles with specialized polymeric coatings to make them mobile in the subsurface and to provide them with an affinity for the DNAPL/water interface. The synthesis, characterization, and reactivity/mobility of the engineered particles, and a molecular dynamic model that predicts their behavior at the DNPAL/water interface are described in this report.

Physical phenomena in containerless glass processing

NASA Technical Reports Server (NTRS)

Subramanian, R. S.; Cole, R.; Annamalai, P.; Jayaraj, K.; Kondos, P.; Mcneil, T. J.; Shankar, N.

1982-01-01

Experiments were conducted on bubble migration in rotating liquid bodies contained in a sphere. Experiments were initiated on the migration of a drop in a slightly less dense continuous phase contained in a rotating sphere. A refined apparatus for the study of thermocapillar flow in a glass melt was built, and data were acquired on surface velocities in the melt. Similar data also were obtained from an ambient temperature fluid model. The data were analyzed and correlated with the aid of theory. Data were obtained on flow velocities in a pendant drop heated from above. The motion in this system was driven principally by thermocapillarity. An apparatus was designed for the study of volatilization from a glass melt.

Using “Tender” x-ray ambient pressure x-Ray photoelectron spectroscopy as a direct probe of solid-liquid interface

DOE PAGES

Axnanda, Stephanus; Crumlin, Ethan J.; Mao, Baohua; ...

2015-05-07

We report a new method to probe the solid-liquid interface through the use of a thin liquid layer on a solid surface. An ambient pressure XPS (AP-XPS) endstation that is capable of detecting high kinetic energy photoelectrons (7 keV) at a pressure up to 110 Torr has been constructed and commissioned. Additionally, we have deployed a “dip & pull” method to create a stable nanometers-thick aqueous electrolyte on platinum working electrode surface. Combining the newly constructed AP-XPS system, “dip & pull” approach, with a “tender” X-ray synchrotron source (2 keV–7 keV), we are able to access the interface between liquidmore » and solid dense phases with photoelectrons and directly probe important phenomena occurring at the narrow solid-liquid interface region in an electrochemical system. Using this approach, we have performed electrochemical oxidation of the Pt electrode at an oxygen evolution reaction (OER) potential. Under this potential, we observe the formation of both Pt²⁺ and Pt⁴⁺ interfacial species on the Pt working electrode in situ. We believe this thin-film approach and the use of “tender” AP-XPS highlighted in this study is an innovative new approach to probe this key solid-liquid interface region of electrochemistry.« less

Using “Tender” x-ray ambient pressure x-Ray photoelectron spectroscopy as a direct probe of solid-liquid interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Axnanda, Stephanus; Crumlin, Ethan J.; Mao, Baohua

We report a new method to probe the solid-liquid interface through the use of a thin liquid layer on a solid surface. An ambient pressure XPS (AP-XPS) endstation that is capable of detecting high kinetic energy photoelectrons (7 keV) at a pressure up to 110 Torr has been constructed and commissioned. Additionally, we have deployed a “dip & pull” method to create a stable nanometers-thick aqueous electrolyte on platinum working electrode surface. Combining the newly constructed AP-XPS system, “dip & pull” approach, with a “tender” X-ray synchrotron source (2 keV–7 keV), we are able to access the interface between liquidmore » and solid dense phases with photoelectrons and directly probe important phenomena occurring at the narrow solid-liquid interface region in an electrochemical system. Using this approach, we have performed electrochemical oxidation of the Pt electrode at an oxygen evolution reaction (OER) potential. Under this potential, we observe the formation of both Pt²⁺ and Pt⁴⁺ interfacial species on the Pt working electrode in situ. We believe this thin-film approach and the use of “tender” AP-XPS highlighted in this study is an innovative new approach to probe this key solid-liquid interface region of electrochemistry.« less

Phase transitions, interparticle correlations, and elementary processes in dense plasmas

NASA Astrophysics Data System (ADS)

Ichimaru, Setsuo

2017-12-01

Astrophysical dense plasmas are those we find in the interiors, surfaces, and outer envelopes of stellar objects such as neutron stars, white dwarfs, the Sun, and giant planets. Condensed plasmas in the laboratory settings include those in ultrahigh-pressure metal-physics experiments undertaken for realization of metallic hydrogen. We review basic physics issues studied in the past 60 some years on the phase transitions, the interparticle correlations, and the elementary processes in dense plasmas, through survey on scattering of electromagnetic waves, equations of state, phase diagrams, transport processes, stellar and planetary magnetisms, and thermo- and pycnonuclear reactions.

Two-Phase Dynamics Simulations of the Growth and Instability of Earth's Inner Core

NASA Astrophysics Data System (ADS)

Hernlund, J. W.; Jellinek, M.; Labrosse, S.

2008-12-01

When the center of Earth's core began to freeze from a homogeneous liquid 1-2 billion years ago, its constitution was very likely that of a mushy region. As this incipient inner core grew by further crystallization of the outer core, an increase in gravity force allowed for the solid grains to compress against one another, undergo viscous compaction, and begin to expel remnant fluid out of the inner core by percolation. Meanwhile, inside the inner core the residual fluid and solid remained in equilibrium, and any perturbations that resulted in upwelling of the deformable mush would also be accompanied by decompression melting. Upwelling and melting regions might then increase in liquid fraction, become less dense, and hence buoyant in a way that would propel them upward at a faster rate, setting up a runaway instability and partial Rayleigh-Taylor-like overturn of Earth's inner core. Structures inherited from this event possibly include the distinct innermost inner core posited by seismologists to exist at Earth's centermost 300-600 km. We use a new two-phase dynamics code to model this scenario in axi-symmetric geometry in order to understand whether and when such an instability occurred, what size the core will have been at the onset of instability, and the degree and style of deformation that would have accompanied this episode. We have found that the growth of instability competes with the rate of background melt percolation, such that the instability would only have occurred after the inner core reaches a critical size and expelled a certain amount of liquid from its interior. A linear stability analysis confirms that there is a critical Rayleigh number for the onset of instability at a given radius. The combined constraints show that the inner core is guaranteed to have undergone this kind of instability, at a time and strength governed solely by physical properties such as grain size, density differences between liquid and solid, and viscosities of the phases.

Electromagnetic induction of foam-based nanoscale zerovalent iron (NZVI) particles to thermally enhance non-aqueous phase liquid (NAPL) volatilization in unsaturated porous media: Proof of concept.

PubMed

Srirattana, Supawan; Piaowan, Kitsanateen; Lowry, Gregory V; Phenrat, Tanapon

2017-09-01

Nanoscale zerovalent iron (NZVI) is a promising remediation agent for volatile organic compound (VOC) contamination in saturated sub-surfaces, but is rarely applied to the vadose zone as there are not enough water molecules in the unsaturated zone to participate in reductive dechlorination. In this study, we evaluated the possibility of using foam as a carrying vehicle to emplace NZVI in unsaturated porous media followed by the application of low frequency-electromagnetic field (LF-EMF) to enhance VOC volatilization in laboratory batch reactors. We found that the optimal condition for generating foam-based NZVI (F-NZVI) was using sodium lauryl ether sulfate (SLES) at a concentration of 3% (w/w) and a N 2 flow rate of 500 mL/min. Also, F-NZVI could carry as much as 41.31 g/L of NZVI in the liquid phase of the foam and generate heat to raise ΔT to 77 °C in 15 min under an applied LF-EMF (150 kHz and 13 A). Under these conditions, F-NZVI together with LF-EMF enhanced trichloroethylene (TCE) volatilization from TCE-dense non-aqueous phase liquid (DNAPL) in unsaturated sand by 39.51 ± 6.59-fold compared to reactors without LF-EMF application. This suggested that using F-NZVI together with LF-EMF could theoretically be an alternative to radio frequency heating (RFH) as it requires a much lower irradiation frequency (336-fold lower), which should result in significantly lower capital and operational costs compared to RFH. Copyright © 2017 Elsevier Ltd. All rights reserved.

A Eulerian-Lagrangian Model to Simulate Two-Phase/Particulate Flows

NASA Technical Reports Server (NTRS)

Apte, S. V.; Mahesh, K.; Lundgren, T.

2003-01-01

Figure 1 shows a snapshot of liquid fuel spray coming out of an injector nozzle in a realistic gas-turbine combustor. Here the spray atomization was simulated using a stochastic secondary breakup model (Apte et al. 2003a) with point-particle approximation for the droplets. Very close to the injector, it is observed that the spray density is large and the droplets cannot be treated as point-particles. The volume displaced by the liquid in this region is significant and can alter the gas-phase ow and spray evolution. In order to address this issue, one can compute the dense spray regime by an Eulerian-Lagrangian technique using advanced interface tracking/level-set methods (Sussman et al. 1994; Tryggvason et al. 2001; Herrmann 2003). This, however, is computationally intensive and may not be viable in realistic complex configurations. We therefore plan to develop a methodology based on Eulerian-Lagrangian technique which will allow us to capture the essential features of primary atomization using models to capture interactions between the fluid and droplets and which can be directly applied to the standard atomization models used in practice. The numerical scheme for unstructured grids developed by Mahesh et al. (2003) for incompressible flows is modified to take into account the droplet volume fraction. The numerical framework is directly applicable to realistic combustor geometries. Our main objectives in this work are: Develop a numerical formulation based on Eulerian-Lagrangian techniques with models for interaction terms between the fluid and particles to capture the Kelvin- Helmholtz type instabilities observed during primary atomization. Validate this technique for various two-phase and particulate flows. Assess its applicability to capture primary atomization of liquid jets in conjunction with secondary atomization models.

Suppressing turbulence of self-propelling rods by strongly coupled passive particles.

PubMed

Su, Yen-Shuo; Wang, Hao-Chen; I, Lin

2015-03-01

The strong turbulence suppression, mainly for large-scale modes, of two-dimensional self-propelling rods, by increasing the long-range coupling strength Γ of low-concentration passive particles, is numerically demonstrated. It is found that large-scale collective rod motion in forms of swirls or jets is mainly contributed from well-aligned dense patches, which can push small poorly aligned rod patches and uncoupled passive particles. The more efficient momentum transfer and dissipation through increasing passive particle coupling leads to the formation of a more ordered and slowed down network of passive particles, which competes with coherent dense active rod clusters. The frustration of active rod alignment ordering and coherent motion by the passive particle network, which interrupt the inverse cascading of forming large-scale swirls, is the key for suppressing collective rod motion with scales beyond the interpassive distance, even in the liquid phase of passive particles. The loosely packed active rods are weakly affected by increasing passive particle coupling due to the weak rod-particle interaction. They mainly contribute to the small-scale modes and high-speed motion.

Compositions for, solutions for, and methods of use of siloxane based aromatic trisureas as viscosifiers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doherty, Mark Daniel; O'Brien, Michael Joseph; Lee, Jason

A compound represented by the following formula is provided: ##STR00001## Also provided is a solution including a compound disclosed herein, a volume of dense carbon dioxide (CO.sub.2), and a co-solvent, where the solution has an increased viscosity greater than the viscosity of dense CO.sub.2. Methods of increasing the viscosity of dense CO.sub.2 and natural gas liquids (NGLs) by, for example, dissolving a compound disclosed herein to form a solution, are also provided.

Two-way coupled SPH and particle level set fluid simulation.

PubMed

Losasso, Frank; Talton, Jerry; Kwatra, Nipun; Fedkiw, Ronald

2008-01-01

Grid-based methods have difficulty resolving features on or below the scale of the underlying grid. Although adaptive methods (e.g. RLE, octrees) can alleviate this to some degree, separate techniques are still required for simulating small-scale phenomena such as spray and foam, especially since these more diffuse materials typically behave quite differently than their denser counterparts. In this paper, we propose a two-way coupled simulation framework that uses the particle level set method to efficiently model dense liquid volumes and a smoothed particle hydrodynamics (SPH) method to simulate diffuse regions such as sprays. Our novel SPH method allows us to simulate both dense and diffuse water volumes, fully incorporates the particles that are automatically generated by the particle level set method in under-resolved regions, and allows for two way mixing between dense SPH volumes and grid-based liquid representations.

Fluid surface compensation in digital holographic microscopy for topography measurement

NASA Astrophysics Data System (ADS)

Lin, Li-Chien; Tu, Han-Yen; Lai, Xin-Ji; Wang, Sheng-Shiun; Cheng, Chau-Jern

2012-06-01

A novel technique is presented for surface compensation and topography measurement of a specimen in fluid medium by digital holographic microscopy (DHM). In the measurement, the specimen is preserved in a culture dish full of liquid culture medium and an environmental vibration induces a series of ripples to create a non-uniform background on the reconstructed phase image. A background surface compensation algorithm is proposed to account for this problem. First, we distinguish the cell image from the non-uniform background and a morphological image operation is used to reduce the noise effect on the background surface areas. Then, an adaptive sampling from the background surface is employed, taking dense samples from the high-variation area while leaving the smooth region mostly untouched. A surface fitting algorithm based on the optimal bi-cubic functional approximation is used to establish a whole background surface for the phase image. Once the background surface is found, the background compensated phase can be obtained by subtracting the estimated background from the original phase image. From the experimental results, the proposed algorithm performs effectively in removing the non-uniform background of the phase image and has the ability to obtain the specimen topography inside fluid medium under environmental vibrations.

Self-bound droplets of a dilute magnetic quantum liquid

NASA Astrophysics Data System (ADS)

Schmitt, Matthias; Wenzel, Matthias; Böttcher, Fabian; Ferrier-Barbut, Igor; Pfau, Tilman

2016-11-01

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and repulsive forces that derive from different components of the inter-particle potential. It has been suggested that self-bound ensembles of ultracold atoms should exist for atom number densities that are 108 times lower than in a helium droplet, which is formed from a dense quantum liquid. However, such ensembles have been elusive up to now because they require forces other than the usual zero-range contact interaction, which is either attractive or repulsive but never both. On the basis of the recent finding that an unstable bosonic dipolar gas can be stabilized by a repulsive many-body term, it was predicted that three-dimensional self-bound quantum droplets of magnetic atoms should exist. Here we report the observation of such droplets in a trap-free levitation field. We find that this dilute magnetic quantum liquid requires a minimum, critical number of atoms, below which the liquid evaporates into an expanding gas as a result of the quantum pressure of the individual constituents. Consequently, around this critical atom number we observe an interaction-driven phase transition between a gas and a self-bound liquid in the quantum degenerate regime with ultracold atoms. These droplets are the dilute counterpart of strongly correlated self-bound systems such as atomic nuclei and helium droplets.

Self-bound droplets of a dilute magnetic quantum liquid.

PubMed

Schmitt, Matthias; Wenzel, Matthias; Böttcher, Fabian; Ferrier-Barbut, Igor; Pfau, Tilman

2016-11-10

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and repulsive forces that derive from different components of the inter-particle potential. It has been suggested that self-bound ensembles of ultracold atoms should exist for atom number densities that are 10 8 times lower than in a helium droplet, which is formed from a dense quantum liquid. However, such ensembles have been elusive up to now because they require forces other than the usual zero-range contact interaction, which is either attractive or repulsive but never both. On the basis of the recent finding that an unstable bosonic dipolar gas can be stabilized by a repulsive many-body term, it was predicted that three-dimensional self-bound quantum droplets of magnetic atoms should exist. Here we report the observation of such droplets in a trap-free levitation field. We find that this dilute magnetic quantum liquid requires a minimum, critical number of atoms, below which the liquid evaporates into an expanding gas as a result of the quantum pressure of the individual constituents. Consequently, around this critical atom number we observe an interaction-driven phase transition between a gas and a self-bound liquid in the quantum degenerate regime with ultracold atoms. These droplets are the dilute counterpart of strongly correlated self-bound systems such as atomic nuclei and helium droplets.

Implementation and Re nement of a Comprehensive Model for Dense Granular Flows

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sundaresan, Sankaran

2015-09-30

Dense granular ows are ubiquitous in both natural and industrial processes. They manifest three di erent ow regimes, each exhibiting its own dependence on solids volume fraction, shear rate, and particle-level properties. This research project sought to develop continuum rheological models for dense granular ows that bridges multiple regimes of ow, implement them in open-source platforms for gas-particle ows and perform test simulations. The rst phase of the research covered in this project involved implementation of a steady- shear rheological model that bridges quasi-static, intermediate and inertial regimes of ow into MFIX (Multiphase Flow with Interphase eXchanges - a generalmore » purpose computer code developed at the National Energy Technology Laboratory). MFIX simulations of dense granular ows in hourglass-shaped hopper were then performed as test examples. The second phase focused on formulation of a modi ed kinetic theory for frictional particles that can be used over a wider range of particle volume fractions and also apply for dynamic, multi- dimensional ow conditions. To guide this work, simulations of simple shear ows of identical mono-disperse spheres were also performed using the discrete element method. The third phase of this project sought to develop and implement a more rigorous treatment of boundary e ects. Towards this end, simulations of simple shear ows of identical mono-disperse spheres con ned between parallel plates were performed and analyzed to formulate compact wall boundary conditions that can be used for dense frictional ows at at frictional boundaries. The fourth phase explored the role of modest levels of cohesive interactions between particles on the dense phase rheology. The nal phase of this project focused on implementation and testing of the modi ed kinetic theory in MFIX and running bin-discharge simulations as test examples.« less

Superfluidity of 4He in dense aerogel studied using quartz tuning fork

NASA Astrophysics Data System (ADS)

Matsumoto, K.; Okamoto, R.; Nakajima, A.; Abe, S.

2018-03-01

Superfluid 4He in aerogel is of interest because it has a normal component coupling to gel strand due to viscosity and a superfluid component with zero viscosity. Superfluid helium in aerogel has two sound modes, a slow critical mode and a fast one. In this study, quartz tuning fork was used in order to study acoustic properties of liquid 4He in aerogel with 90% porosity. Two pieces of aerogel were glued on both prongs of quartz tuning fork that had a resonance frequency of 33 kHz. The tuning fork was immersed in liquid 4He from 2 to 20 bar. The resonance frequency increased in the superfluid phase due to decrease in loaded mass. Temperature variation of resonance frequency was explained by that of superfluid density. Superfluid transition in aerogel was 2 mK lower than that without gel. Additional dissipation was observed in the temperature range between 1 K and transition temperature.

Two types of amorphous protein particles facilitate crystal nucleation.

PubMed

Yamazaki, Tomoya; Kimura, Yuki; Vekilov, Peter G; Furukawa, Erika; Shirai, Manabu; Matsumoto, Hiroaki; Van Driessche, Alexander E S; Tsukamoto, Katsuo

2017-02-28

Nucleation, the primary step in crystallization, dictates the number of crystals, the distribution of their sizes, the polymorph selection, and other crucial properties of the crystal population. We used time-resolved liquid-cell transmission electron microscopy (TEM) to perform an in situ examination of the nucleation of lysozyme crystals. Our TEM images revealed that mesoscopic clusters, which are similar to those previously assumed to consist of a dense liquid and serve as nucleation precursors, are actually amorphous solid particles (ASPs) and act only as heterogeneous nucleation sites. Crystalline phases never form inside them. We demonstrate that a crystal appears within a noncrystalline particle assembling lysozyme on an ASP or a container wall, highlighting the role of heterogeneous nucleation. These findings represent a significant departure from the existing formulation of the two-step nucleation mechanism while reaffirming the role of noncrystalline particles. The insights gained may have significant implications in areas that rely on the production of protein crystals, such as structural biology, pharmacy, and biophysics, and for the fundamental understanding of crystallization mechanisms.

An Nmr Study of Supercooled Water Under Nanoconfinement by Hydrophobic Surfaces

NASA Astrophysics Data System (ADS)

Ling, Yan-Chun

The main focus of this dissertation is studying the properties of bulk water, confined water, and interfacial water. The thermodynamics, dynamics and state of water are investigated by DSC and 1H NMR methods. Hydrophobic slit-shaped pores with tunable pore size from 0.5 nm to 1.6 nm are applied as confinement media in our experiments. By confining water in nanopores, we are able to cool the water lower than its homogeneous nucleation temperature 235 K at ambient pressure and access the "no man's land". Both experimental and simulation results show water has heterogeneity property, with two "phases", one is high-density liquid (HDL) "phase" which has dense-packing structure, the other is low-density liquid (LDL) "phase" which has more tetrahedral structure. At room temperature, HDL and LDL two "phases" can coexist in millisecond time scale and 10 nanometer length scale. The room temperature water structure is dominated by HDL structure. By decreasing the temperature, HDL could convert to LDL gradually. At 200 K, LDL dominates the liquid state of water. It is of importance to emphasis, for water confined in nanopores there is no crystallization above 200 K. A dynamic crossover at 225 K in the liquid state is observed in our hydrophobic system, similar to that observed in hydrophilic system. This proves such dynamic crossover is not induced by crystallization or surface effect, but originally from the intrinsic properties of water. At 190 K, we find a second change of rotational correlation time, which resembles the glassification process of supercooled confined water, suggesting a higher rotational glass transition temperature for bulk water. In the lower temperature range 145 K water. In the lower temperature range 145 K < T < 165 K, the interfacial water induced glass transition is observed. At sufficient low temperature, confinement plays an important role for the induced glass transition. We also study the properties of interfacial water by confining water in smaller hydrophobic pores. It shows the interfacial water remains liquid state at 140 K. There is an Arrhenius to Arrhenius dynamic crossover at 170 K due to the rotational motion slowing down. Comparing to bulk water, interfacial water has fast rotation but effectively immobile. Our studies thus provide a complete picture for the rather controversial supercooled region and also differentiate the properties of bulk water, confined water and interfacial water using different techniques.

Atomization and dense-fluid breakup regimes in liquid rocket engines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oefelein, Joseph; Dahms, Rainer Norbert Uwe

Until recently, modern theory has lacked a fundamentally based model to predict the operating pressures where classical sprays transition to dense-fluid mixing with diminished surface tension. In this paper, such a model is presented to quantify this transition for liquid-oxygen–hydrogen and n-decane–gaseous-oxygen injection processes. The analysis reveals that respective molecular interfaces break down not necessarily because of vanishing surface tension forces but instead because of the combination of broadened interfaces and a reduction in mean free molecular path. When this occurs, the interfacial structure itself enters the continuum regime, where transport processes rather than intermolecular forces dominate. Using this model,more » regime diagrams for the respective systems are constructed that show the range of operating pressures and temperatures where this transition occurs. The analysis also reveals the conditions where classical spray dynamics persists even at high supercritical pressures. As a result, it demonstrates that, depending on the composition and temperature of the injected fluids, the injection process can exhibit either classical spray atomization, dense-fluid diffusion-dominated mixing, or supercritical mixing phenomena at chamber pressures encountered in state-of-the-art liquid rocket engines.« less

Atomization and dense-fluid breakup regimes in liquid rocket engines

DOE PAGES

Oefelein, Joseph; Dahms, Rainer Norbert Uwe

2015-04-20

Until recently, modern theory has lacked a fundamentally based model to predict the operating pressures where classical sprays transition to dense-fluid mixing with diminished surface tension. In this paper, such a model is presented to quantify this transition for liquid-oxygen–hydrogen and n-decane–gaseous-oxygen injection processes. The analysis reveals that respective molecular interfaces break down not necessarily because of vanishing surface tension forces but instead because of the combination of broadened interfaces and a reduction in mean free molecular path. When this occurs, the interfacial structure itself enters the continuum regime, where transport processes rather than intermolecular forces dominate. Using this model,more » regime diagrams for the respective systems are constructed that show the range of operating pressures and temperatures where this transition occurs. The analysis also reveals the conditions where classical spray dynamics persists even at high supercritical pressures. As a result, it demonstrates that, depending on the composition and temperature of the injected fluids, the injection process can exhibit either classical spray atomization, dense-fluid diffusion-dominated mixing, or supercritical mixing phenomena at chamber pressures encountered in state-of-the-art liquid rocket engines.« less

Application of hard sphere perturbation theory for thermodynamics of model liquid metals

NASA Astrophysics Data System (ADS)

Mon, K. K.

2001-06-01

Hard sphere perturbation theory (HSPT) has contributed toward the fundamental understanding of dense fluids for over 30 years. In recent decades, other techniques have been more popular. In this paper, we argue for the revival of hard sphere perturbation theory for the study of thermodynamics of dense liquid in general, and in liquid metal in particular. The weakness of HSPT is now well understood, and can be easily overcome by using a simple convenient Monte Carlo method to calculate the intrinsic error of HSPT free energy density. To demonstrate this approach, we consider models of liquid aluminum and sodium. We obtain the intrinsic error of HSPT with the Monte Carlo method. HSPT is shown to provide a lower free energy upper bound than one-component plasma (OCP) for alkali metals and polyvalent metals. We are thus able to provide insight into the long standing observation that a OCP is a better reference system than a HS for alkali metals.

Electromagnetic induction of nanoscale zerovalent iron particles accelerates the degradation of chlorinated dense non-aqueous phase liquid: Proof of concept.

PubMed

Phenrat, Tanapon; Kumloet, Itsaraphong

2016-12-15

In this study, a novel electromagnetically enhanced treatment concept is proposed for in situ remediation of a source zone of chlorinated dense non-aqueous phase liquid (DNAPL) that is slowly dissolved, causing contaminated groundwater for centuries. Here, we used polystyrene sulfonate (PSS)-modified nanoscale zerovalent iron (NZVI) particles (ferromagnetic) in combination with a low frequency (LF) (150 kHz) AC electromagnetic field (EMF) to accelerate the degradation of the DNAPLs via enhanced dissolution and reductive dechlorination. Trichloroethylene (TCE) and tetrachloroethylene (PCE) were used in a bench-scaled evaluation. The PSS-modified NZVI successfully targeted the DNAPL/water interface, as evidenced by the Pickering emulsion formation. Dechlorination of TCE- and PCE-DNAPL was measured by quantifying the by-product formation (acetylene, ethene, and ethane). Without magnetic induction heating (MIH) by LF EMF, PSS-modified NZVI transformed TCE- and PCE-DNAPL to ethene and ethane at the rate constants of 12.19 × 10 -3 and 1.00 × 10 -3  μmol/h/m 2 , respectively, following pseudo zero-order reactions. However, four MIH cycles of PSS-NZVI increased the temperature up to 87 °C and increased the rate constants of TCE-DNAPL and PCE-DNAPL up to 14.58 and 58.01 times, respectively, in comparison to the dechlorination rate without MIH. Theoretical analysis suggested that the MIH of the PSS-modified NZVI enhanced the dechlorination of TCE- and PCE-DNAPL via the combination of the enhanced thermal dissolution of DNAPL, the effect of increasing the temperature on the rate constant (the Arrhenius equation), and the accelerated NZVI corrosion. Nevertheless, the effect of the Arrhenius equation was dominant. For the first time, this proof-of-concept study reveals the potential for using polyelectrolyte-modified NZVI coupled with LF EMF as a combined remediation technique for increasing the rate and completeness of in situ chlorinated DNAPL source remediation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Multiscale Simulation of Gas Film Lubrication During Liquid Droplet Collision

NASA Astrophysics Data System (ADS)

Chen, Xiaodong; Khare, Prashant; Ma, Dongjun; Yang, Vigor

2012-02-01

Droplet collision plays an elementary role in dense spray combustion process. When two droplets approach each other, a gas film forms in between. The pressure generated within the film prevents motion of approaching droplets. This fluid mechanics is fluid film lubrication that occurs when opposing bearing surfaces are completely separated by fluid film. The lubrication flow in gas film decides the collision outcome, coalescence or bouncing. Present study focuses on gas film drainage process over a wide range of Weber numbers during equal- and unequal-sized droplet collision. The formulation is based on complete set of conservation equations for both liquid and surrounding gas phases. An improved volume-of-fluid technique, augmented by an adaptive mesh refinement algorithm, is used to track liquid/gas interfaces. A unique thickness-based refinement algorithm based on topology of interfacial flow is developed and implemented to efficiently resolve the multiscale problem. The grid size on interface is up O(10-4) of droplet size with a max resolution of 0.015 μm. An advanced visualization technique using the Ray-tracing methodology is used to gain direct insights to detailed physics. Theories are established by analyzing the characteristics of shape changing and flow evolution.

Broadband X-ray Imaging in the Near-Field Region of an Airblast Atomizer

NASA Astrophysics Data System (ADS)

Li, Danyu; Bothell, Julie; Morgan, Timothy; Heindel, Theodore

2017-11-01

The atomization process has a close connection to the efficiency of many spray applications. Examples include improved fuel atomization increasing the combustion efficiency of aircraft engines, or controlled droplet size and spray angle enhancing the quality and speed of the painting process. Therefore, it is vital to understand the physics of the atomization process, but the near-field region is typically optically dense and difficult to probe with laser-based or intrusive measurement techniques. In this project, broadband X-ray radiography and X-ray computed tomography (CT) imaging were performed in the near-field region of a canonical coaxial airblast atomizer. The X-ray absorption rate was enhanced by adding 20% by weight of Potassium Iodide to the liquid phase to increase image contrast. The radiographs provided an estimate of the liquid effective mean path length and spray angle at the nozzle exit for different flow conditions. The reconstructed CT images provided a 3D map of the time-average liquid spray distribution. X-ray imaging was used to quantify the changes in the near-field spray characteristics for various coaxial airblast atomizer flow conditions. Office of Naval Research.

Photons in dense nuclear matter: Random-phase approximation

NASA Astrophysics Data System (ADS)

Stetina, Stephan; Rrapaj, Ermal; Reddy, Sanjay

2018-04-01

We present a comprehensive and pedagogic discussion of the properties of photons in cold and dense nuclear matter based on the resummed one-loop photon self-energy. Correlations among electrons, muons, protons, and neutrons in β equilibrium that arise as a result of electromagnetic and strong interactions are consistently taken into account within the random phase approximation. Screening effects, damping, and collective excitations are systematically studied in a fully relativistic setup. Our study is relevant to the linear response theory of dense nuclear matter, calculations of transport properties of cold dense matter, and investigations of the production and propagation of hypothetical vector bosons such as the dark photons.

Influence of an alloy addition on the physical and clinical behaviour of glass ionomer cement

NASA Astrophysics Data System (ADS)

Abour, Mohamed Abour Bashir

These in vitro studies compared the various properties of an experimental high powder liquid content glass ionomer cement (EXPT) with those of a metal addition GIC (Hi-Dense) and disperse phase amalgam (Dispersalloy). Bi-axial, four point flexural and compressive tests were used to evaluate strength. Six groups of ten specimens were constructed for each test for each material and allowed to set in an oven at 37°C for 60 minutes. Specimens were stored in distilled water at 37°C until testing at one day, one week, one, three, six months and year. It was found that the strength of Hi-Dense increased and then maintained over extended time, whereas the strength of EXPT showed a declined at 3 months. The bond strengths of the materials to both enamel and dentine were also evaluated. Ten groups of ten teeth, five for each surface for each glass ionomer materials, were prepared. Teeth were aligned leaving the enamel and dentine surfaces exposed. The mixed material was condensed into a cylinder placed on the appropriate surface. These specimens were also stored in distilled water at 37°C. It was found that Hi-Dense had a higher bond strength to enamel that increased with time. The bond strength to dentine was maintained over the test period. The erosion rate of the materials was evaluated using the lactic acid erosion test. Three groups of six specimens for each material were constructed and tested after one hour, one day and at six months. Each specimen was subjected to an impinging jet of lactic acid solution. The erosion rate was determined by weight loss and dimensional change. It was found that Hi-Dense had a high erosion resistance which was slightly better than the experimental material. The microleakage, around restorations prepared, using the glass ionomer materials, was evaluated after cyclical loading the restoration-tooth complex. It was found that there was less leakage around Hi-Dense than EXPT at both the cervical and occlusal margins. In a clinical comparative evaluation of Hi-Dense with a disperse phase alloy placed as Class I restoration, the indirect assessment showed that Hi-Dense showed greater wear at six months than the amalgam using Ivoclar method of model assessment of wear. These studies indicate that the incorporation of a metal addition in the glass ionomer may have brought about a slight improvement in some of the properties tested. However, the performance of the experimental material with similar high powder content but no metal addition indicates that the use of a high powder content may be the predominant cause for the possible improvement.

Potential of phase contrast x-ray imaging for detecting tumors in dense breast: initial phantom studies

NASA Astrophysics Data System (ADS)

Omoumi, Farid H.; Wu, Di; Guo, Yuran; Ghani, Muhammad U.; Li, Yuhua; Boyce, Kari E.; Liu, Hong

2018-02-01

The objective of this study is to demonstrate the potential of using the High-energy in-line phase contrast x-ray imaging to detect lesions that are indistinguishable by conventional x-ray mammography but are detectable by supplemental ultrasound screening within dense breasts. For this study, a custom-made prototype x-ray/ultrasound dualmodality phantom that mimics dense breast is created to include embedded carbon fiber disks with multiple diameters and thicknesses. The phase contrast image is acquired using a prototype at 120kVp, 67μA, exposure time of 16.7sec and focal spot size of 18.3μm with average glandular dose (AGD) of 0.3mGy under a geometric magnification of 2.48. The conventional x-ray image is acquired with a bench top system operating at 40kVp, 300μA, exposure time of 50sec and same AGD. The results demonstrate that conventional x-ray imaging is unable to detect any of the carbon fiber disks, while phase contrast imaging and ultrasonography are able to detect most or all of the disks under the applied experimental conditions. These results illustrate phase contrast imaging is capable of detecting targets in a dual-modality phantom which simulates lesions in dense breast tissue, when the simulated lesions are not distinguishable by conventional mammography. Therefore mammographic screening with phase contrast technique could eventually replace both x-ray and ultrasonography for screening detection of small lesions with microcalcification in dense breasts where pathologic lesions are masked due to highly glandular tissue. These results encourage further investigation using high glandular density phantoms to further evaluate the effectiveness of phase contrast imaging as a single modality test, which combines the advantages of both x-ray and ultrasound imaging in cancer screening of patients with dense breasts.

Explosive desorption of icy grain mantles in dense clouds

NASA Technical Reports Server (NTRS)

Schutte, W. A.; Greenberg, J. M.

1991-01-01

The cycling of the condensible material in dense clouds between the gas phase and the icy grain mantles is investigated. In the model studied, desorption of the ice occurs due to grain mantle explosions when photochemically stored energy is released after transient heating by a cosmic ray particle. It is shown that, depending on the grain size distribution in dense clouds, explosive desorption can maintain up to about eight percent of the carbon in the form of CO in the gas phase at typical cloud densities.

Liquid-feed flame spray pyrolysis synthesis of oxide nanopowders for the processing of ceramic composites

NASA Astrophysics Data System (ADS)

Taylor, Nathan John

In the liquid-feed flame spray pyrolysis (LF-FSP) process, alcohol solutions of metalloorganic precursors are aerosolized by O2 and combusted. The metal oxide combustion products are rapidly quenched (< 10 ms) from flame temperatures of 1500°C to temperatures < 400° C, limiting particle growth. The resulting nanopowders are typically agglomerated but unaggregated. Here, we demonstrate two processing approaches to dense materials: nanopowders with the exact composition, and mixed single metal oxide nanopowders. The effect of the initial degree of phase separation on the final microstructures was determined by sintering studies. Our first studies included the production of yttrium aluminum garnet, Y3Al5O12 (YAG), tubes which we extruded from a thermoplastic/ceramic blend. At equivalent final densities, we found finer grain sizes in the from the mixed Y2O3 and Al2 O3 nanopowders, which was attributed to densification occurring before full transformation to the YAG phase. The enhanced densification in production of pure YAG from the reactive sintering process led us to produce composites in the YAG/alpha-Al 2O3 system. Finally, a third Y2O3 stabilized ZrO2 (YSZ) phase was added to further refine grain sizes using the same two processing approaches. In a separate study, single-phase metastable Al2O3 rich spinels with the composition MO•3Al 2O3 where M = Mg, Ni, and Co were sintered to produce dense MAl2O4/alpha-Al2O3 composites. All of these studies provide a test of the bottom-up approach; that is, how the initial length scale of mixing affects the final composite microstructure. Overall, the length scale of mixing is highly dependent upon the specific oxide composites studied. This work provides a processing framework to be adopted by other researchers to further refine microstructural size. LF-FSP flame temperatures were mapped using different alcohols with different heats of combustion: methanol, ethanol, 1-propanol, and n-butanol. The effect of different alcohols on particle size and phase was determined through studies on Al2O3, Y2O3 and TiO2 nanopowders. The final studies describe the morphology of composite nanopowders produced in the WO3-TiO2 and CuO-TiO2 systems. The composite nanopowders have novel morphology, and may offer novel electronic, optical, or catalytic properties.

Strain and Torsion Quantification in Mouse Hearts under Dobutamine Stimulation using 2D Multi-Phase MR DENSE

PubMed Central

Zhong, Jia; Yu, Xin

2010-01-01

In the current study, a 2D multi-phase MR displacement encoding with stimulated echoes (DENSE) imaging and analysis method was developed for direct quantification of Lagrangian strain in the mouse heart. Using the proposed method, less than 10 ms temporal resolution and 0.56 mm in-plane resolution were achieved. A validation study that compared strain calculation by DENSE and by MR tagging showed high correlation between the two methods (R2 > 0.80). Regional ventricular wall strain and twist were characterized in mouse hearts at baseline and under dobutamine stimulation. Dobutamine stimulation induced significant increase in radial and circumferential strains and torsion at peak-systole. A rapid untwisting was also observed during early diastole. This work demonstrates the capability of characterizing cardiac functional response to dobutamine stimulation in the mouse heart using 2D multi-phase MR DENSE. PMID:20740659

Phase boundary of hot dense fluid hydrogen

PubMed Central

Ohta, Kenji; Ichimaru, Kota; Einaga, Mari; Kawaguchi, Sho; Shimizu, Katsuya; Matsuoka, Takahiro; Hirao, Naohisa; Ohishi, Yasuo

2015-01-01

We investigated the phase transformation of hot dense fluid hydrogen using static high-pressure laser-heating experiments in a laser-heated diamond anvil cell. The results show anomalies in the heating efficiency that are likely to be attributed to the phase transition from a diatomic to monoatomic fluid hydrogen (plasma phase transition) in the pressure range between 82 and 106 GPa. This study imposes tighter constraints on the location of the hydrogen plasma phase transition boundary and suggests higher critical point than that predicted by the theoretical calculations. PMID:26548442

Liquid structure of the urea-water system studied by dielectric spectroscopy.

PubMed

Hayashi, Yoshihito; Katsumoto, Yoichi; Omori, Shinji; Kishii, Noriyuki; Yasuda, Akio

2007-02-08

Dielectric spectroscopy measurements for aqueous urea solutions were performed at 298 K through a concentration range from 0.5 to 9.0 M with frequencies between 200 MHz and 40 GHz. Observed dielectric spectra were well represented by the superposition of two Debye type relaxation processes attributable to the bulk-water clusters and the urea-water coclusters. Our quantitative analysis of the spectra shows that the number of hydration water molecules is approximately two per urea molecule for the lower concentration region below 5.0 M, while the previous molecular dynamics studies predicted approximately six water molecules. It was also indicated by those studies, however, that there are two types of hydration water molecule in urea solution, which are strongly and weakly associated to the urea molecule, respectively. Only the strongly associated water was distinguishable in our analysis, while the weakly associated water exhibited the same dynamic feature as bulk water. This implies that urea retains the weakly associated water in the tetrahedral structure and, thus, is not a strong structure breaker of water. We also verified the model of liquid water where water consists of two states: the icelike-ordered and dense-disordered phases. Our dielectric data did not agree with the theoretical prediction based on the two-phase model. The present work supports the argument that urea molecules can easily replace near-neighbor water in the hydrogen-bonding network and do not require the presence of the disordered phase of water to dissolve into water.

Method for Predicting Hypergolic Mixture Flammability Limits

DTIC Science & Technology

2017-02-01

liquid phase, in the gas phase, at the liquid / liquid interface and at the gas / liquid interface during hypergolic ignition and the interactions...of what happens in the liquid phase, in the gas phase, at the liquid / liquid interface and at the gas / liquid interface during hypergolic ignition...and the interactions of all these phases. The ignition happens in the gas -phase but products formed here and there (in the liquid phase or at

Application of Emulsified Zero-Valent Iron to Marine Environments

NASA Technical Reports Server (NTRS)

Quinn, Jacqueline W.; Brooks, Kathleen B.; Geiger, Cherie L.; Clausen, Christian A.; Milum, Kristen M.

2006-01-01

Contamination of marine waters and sediments with heavy metals and dense non-aqueous phase liquids (DNAPLs) including chlorinated solvents, pesticides and PCBs pose ecological and human health risks through the potential of the contaminant to bioaccumulate in fish, shellfish and avian populations. The contaminants enter marine environments through improper disposal techniques and storm water runoff. Current remediation technologies for application to marine environments include costly dredging and off-site treatment of the contaminated media. Emulsified zero-valent iron (EZVI) has been proven to effectively degrade dissolved-phase and DNAPL-phase contaminants in freshwater environments on both the laboratory and field-scale level. Emulsified Zero-Valent Metal (EZVM) using metals such as iron and/or magnesium have been shown in the laboratory and on the bench scale to be effective at removing metals contamination in freshwater environments. The application to marine environments, however, is only just being explored. This paper discusses. the potential use of EZVI or EZVM in brackish and saltwater environments, with supporting laboratory data detailing its effectiveness on trichloroethylene, lead, copper, nickel and cadmium.

Two-phase SLIPI for instantaneous LIF and Mie imaging of transient fuel sprays.

PubMed

Storch, Michael; Mishra, Yogeshwar Nath; Koegl, Matthias; Kristensson, Elias; Will, Stefan; Zigan, Lars; Berrocal, Edouard

2016-12-01

We report in this Letter a two-phase structured laser illumination planar imaging [two-pulse SLIPI (2p-SLIPI)] optical setup where the "lines structure" is spatially shifted by exploiting the birefringence property of a calcite crystal. By using this optical component and two cross-polarized laser pulses, the shift of the modulated pattern is not "time-limited" anymore. Consequently, two sub-images with spatially mismatched phases can be recorded within a few hundred of nanoseconds only, freezing the motion of the illuminated transient flow. In comparison with previous setups for instantaneous imaging based on structured illumination, the current optical design presents the advantage of having a single optical path, greatly simplifying its complexity. Due to its virtue of suppressing the effects from multiple light scattering, the 2p-SLIPI technique is applied here in an optically dense multi-jet direct-injection spark-ignition (DISI) ethanol spray. The fast formation of polydispersed droplets and appearance of voids after fuel injection are investigated by simultaneous detection of Mie scattering and liquid laser-induced fluorescence. The results allow for significantly improved analysis of the spray structure.

Analysis of Dependence of the Properties of Alloy V95 on the Pressure Applied to Crystallizing Metal

NASA Astrophysics Data System (ADS)

Korostelev, V. F.; Khromova, L. P.; Denisov, M. S.

2017-05-01

Results of a study aimed at formation of a single-phase fine-grained structure in pistons from aluminum alloy V95 in the process of their fabrication, which involves isostatic pressing of liquid metal before the start of crystallization, application of pressure to the crystallizing metal, and holding under pressure in the process of cooling to the shop temperature, are presented. The ultimate strength and the structure of alloy V95 after casting with imposition of pressure are determined. An example of application of the method suggested for fabricating cast billets ∅ 82 × 70 mm in size with a uniform dense structure without gas shrinkage defects, volume and dendritic segregation is considered.

A granular flow model for dense planetary rings

NASA Technical Reports Server (NTRS)

Borderies, N.; Goldreich, P.; Tremaine, S.

1985-01-01

In the present study of the viscosity of a differentially rotating particle disk, in the limiting case where the particles are densely packed and their collective behavior resembles that of a liquid, the pressure tensor is derived from both the equations of hydrodynamics and a simple kinetic model of collisions due to Haff (1983). Density waves and narrow circular rings are unstable if the liquid approximation applies, and the consequent nonlinear perturbations may generate 'splashing' of the ring material in the vertical direction. These results are pertinent to the origin of the ellipticities of ringlets, the nonaxisymmetric features near the outer edge of the Saturn B ring, and unexplained residuals in kinematic models of the Saturn and Uranus rings.

Path Integral Monte Carlo Simulations of Warm Dense Matter and Plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Militzer, Burkhard

2018-01-13

New path integral Monte Carlo simulation (PIMC) techniques will be developed and applied to derive the equation of state (EOS) for the regime of warm dense matter and dense plasmas where existing first-principles methods cannot be applied. While standard density functional theory has been used to accurately predict the structure of many solids and liquids up to temperatures on the order of 10,000 K, this method is not applicable at much higher temperature where electronic excitations become important because the number of partially occupied electronic orbitals reaches intractably large numbers and, more importantly, the use of zero-temperature exchange-correlation functionals introducesmore » an uncontrolled approximation. Here we focus on PIMC methods that become more and more efficient with increasing temperatures and still include all electronic correlation effects. In this approach, electronic excitations increase the efficiency rather than reduce it. While it has commonly been assumed such methods can only be applied to elements without core electrons like hydrogen and helium, we recently showed how to extend PIMC to heavier elements by performing the first PIMC simulations of carbon and water plasmas [Driver, Militzer, Phys. Rev. Lett. 108 (2012) 115502]. Here we propose to continue this important development to extend the reach of PIMC simulations to yet heavier elements and also lower temperatures. The goal is to provide a robust first-principles simulation method that can accurately and efficiently study materials with excited electrons at solid-state densities in order to access parts of the phase diagram such the regime of warm dense matter and plasmas where so far only more approximate, semi-analytical methods could be applied.« less

Hydroxyapatite coatings deposited by liquid precursor plasma spraying: controlled dense and porous microstructures and osteoblastic cell responses.

PubMed

Huang, Yi; Song, Lei; Liu, Xiaoguang; Xiao, Yanfeng; Wu, Yao; Chen, Jiyong; Wu, Fang; Gu, Zhongwei

2010-12-01

Hydroxyapatite coatings were deposited on Ti-6Al-4V substrates by a novel plasma spraying process, the liquid precursor plasma spraying (LPPS) process. X-ray diffraction results showed that the coatings obtained by the LPPS process were mainly composed of hydroxyapatite. The LPPS process also showed excellent control on the coating microstructure, and both nearly fully dense and highly porous hydroxyapatite coatings were obtained by simply adjusting the solid content of the hydroxyapatite liquid precursor. Scanning electron microscope observations indicated that the porous hydroxyapatite coatings had pore size in the range of 10-200 µm and an average porosity of 48.26 ± 0.10%. The osteoblastic cell responses to the dense and porous hydroxyapatite coatings were evaluated with human osteoblastic cell MG-63, in respect of the cell morphology, proliferation and differentiation, with the hydroxyapatite coatings deposited by the atmospheric plasma spraying (APS) process as control. The cell experiment results indicated that the heat-treated LPPS coatings with a porous structure showed the best cell proliferation and differentiation among all the hydroxyapatite coatings. Our results suggest that the LPPS process is a promising plasma spraying technique for fabricating hydroxyapatite coatings with a controllable microstructure, which has great potential in bone repair and replacement applications.

Numerical Modeling Analysis of Hydrodynamic and Microbial Controls on DNAPL Pool Dissolution and Detoxification: Dehalorespirers in Co-culture

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wesseldyke, Eric S.; Becker, Jennifer G.; Seagren, Eric A.

Dissolution of dense non-aqueous phase liquid (DNAPL) contaminants like tetrachloroethene (PCE) can be “bioenhanced” via biodegradation, which increases the concentration gradient at the DNAPL–water interface. Model simulations were used to evaluate the impact of ecological interactions between different dehalorespiring strains and hydrodynamics on the bioenhancement effect and the extent of PCE dechlorination. Simulations were performed using a two-dimensional coupled flow-transport model, with a DNAPL pool source and two microbial species, Dehalococcoides mccartyi 195 and Desulfuromonas michiganensis, which compete for electron acceptors (e.g., PCE), but not for their electron donors. Under biostimulation, low vx conditions, D. michiganensis alone significantly enhanced dissolutionmore » by rapidly utilizing aqueous-phase PCE. In co-culture under these conditions, D. mccartyi 195 increased this bioenhancement modestly and greatly increased the extent of PCE transformation. Although D. michiganensis was the dominant population under low velocity conditions, D. mccartyi 195 dominated under high velocity conditions due to bioclogging effects.« less

A trans-phase granular continuum relation and its use in simulation

NASA Astrophysics Data System (ADS)

Kamrin, Ken; Dunatunga, Sachith; Askari, Hesam

The ability to model a large granular system as a continuum would offer tremendous benefits in computation time compared to discrete particle methods. However, two infamous problems arise in the pursuit of this vision: (i) the constitutive relation for granular materials is still unclear and hotly debated, and (ii) a model and corresponding numerical method must wear ``many hats'' as, in general circumstances, it must be able to capture and accurately represent the material as it crosses through its collisional, dense-flowing, and solid-like states. Here we present a minimal trans-phase model, merging an elastic response beneath a fictional yield criterion, a mu(I) rheology for liquid-like flow above the static yield criterion, and a disconnection rule to model separation of the grains into a low-temperature gas. We simulate our model with a meshless method (in high strain/mixing cases) and the finite-element method. It is able to match experimental data in many geometries, including collapsing columns, impact on granular beds, draining silos, and granular drag problems.

Modeling unstable alcohol flooding of DNAPL-contaminated columns

NASA Astrophysics Data System (ADS)

Roeder, Eberhard; Falta, Ronald W.

Alcohol flooding, consisting of injection of a mixture of alcohol and water, is one source removal technology for dense non-aqueous phase liquids (DNAPLs) currently under investigation. An existing compositional multiphase flow simulator (UTCHEM) was adapted to accurately represent the equilibrium phase behavior of ternary and quaternary alcohol/DNAPL systems. Simulator predictions were compared to laboratory column experiments and the results are presented here. It was found that several experiments involved unstable displacements of the NAPL bank by the alcohol flood or of the alcohol flood by the following water flood. Unstable displacement led to additional mixing compared to ideal displacement. This mixing was approximated by a large dispersion in one-dimensional simulations and or by including permeability heterogeneities on a very small scale in three-dimensional simulations. Three-dimensional simulations provided the best match. Simulations of unstable displacements require either high-resolution grids, or need to consider the mixing of fluids in a different manner to capture the resulting effects on NAPL recovery.

Composition and method for removing photoresist materials from electronic components

DOEpatents

Davenhall, Leisa B [Santa Fe, NM; Rubin, James B [Los Alamos, NM; Taylor, Craig M. V. [Jemez Springs, NM

2008-06-03

Composition and method for removing photoresist materials from electronic components. The composition is a mixture of at least one dense phase fluid and at least one dense phase fluid modifier. The method includes exposing a substrate to at least one pulse of the composition in a supercritical state to remove photoresist materials from the substrate.

Composition and method for removing photoresist materials from electronic components

DOEpatents

Davenhall, Leisa B.; Rubin, James B.; Taylor, Craig M.

2005-01-25

Composition and method for removing photoresist materials from electronic components. The composition is a mixture of at least one dense phase fluid and at least one dense phase fluid modifier. The method includes exposing a substrate to at least one pulse of the composition in a supercritical state to remove photoresist materials from the substrate.

Prediction of a Densely Loaded Particle-Laden Jet using a Euler-Lagrange Dense Spray Model

NASA Astrophysics Data System (ADS)

Pakseresht, Pedram; Apte, Sourabh V.

2017-11-01

Modeling of a dense spray regime using an Euler-Lagrange discrete-element approach is challenging because of local high volume loading. A subgrid cluster of droplets can lead to locally high void fractions for the disperse phase. Under these conditions, spatio-temporal changes in the carrier phase volume fractions, which are commonly neglected in spray simulations in an Euler-Lagrange two-way coupling model, could become important. Accounting for the carrier phase volume fraction variations, leads to zero-Mach number, variable density governing equations. Using pressure-based solvers, this gives rise to a source term in the pressure Poisson equation and a non-divergence free velocity field. To test the validity and predictive capability of such an approach, a round jet laden with solid particles is investigated using Direct Numerical Simulation and compared with available experimental data for different loadings. Various volume fractions spanning from dilute to dense regimes are investigated with and without taking into account the volume displacement effects. The predictions of the two approaches are compared and analyzed to investigate the effectiveness of the dense spray model. Financial support was provided by National Aeronautics and Space Administration (NASA).

Spontaneous Growth and Mobilization of a Gas Phase in the Presence of Dense Non- Aqueous Phase Liquid (DNAPL)

NASA Astrophysics Data System (ADS)

Roy, J. W.; Smith, J. E.

2006-12-01

A number of mechanisms can lead to the presence of disconnected bubbles or ganglia of gas phase in groundwater. When associated with or near a DNAPL phase, the disconnected gas phase experiences mass transfer of dissolved gases including the volatile components of the DNAPL. The properties of the gas phase interface, such as interfacial tension and contact angle, can also be affected. This work addresses the behavior of spontaneous continual growth of initially trapped seed gas bubbles within DNAPL source zones. Three different experiments were performed in a 2-dimensional transparent flow cell 15 cm by 20 cm by 1.5 cm. In each case, a DNAPL pool was created within larger glass beads over smaller glass beads that served as a capillary barrier. The DNAPL consisted of either a 1:2 (v/v) tetrachloroethene (PCE) to benzene mixture, single component PCE, or single component TCE. The experiments effectively demonstrate spontaneous gas phase expansion and vertical advective mobilization of gas bubbles and ganglia above the DNAPL source zone. A cycle of gas phase growth and mobilization was facilitated by the presence of secondary seed bubbles left behind due to snap-off during vertical bubble (ganglion) mobilization. This gas phase growth process was relatively slow but continuous and could be expected to continue until the NAPL is completely dissolved. Some implications of the demonstrated behavior for water flow and mass transfer within and near the DNAPL source zone are highlighted.

In situ X-Ray Diffraction of Shock-Compressed Fused Silica

NASA Astrophysics Data System (ADS)

Tracy, Sally June; Turneaure, Stefan J.; Duffy, Thomas S.

2018-03-01

Because of its widespread applications in materials science and geophysics, SiO2 has been extensively examined under shock compression. Both quartz and fused silica transform through a so-called "mixed-phase region" to a dense, low compressibility high-pressure phase. For decades, the nature of this phase has been a subject of debate. Proposed structures include crystalline stishovite, another high-pressure crystalline phase, or a dense amorphous phase. Here we use plate-impact experiments and pulsed synchrotron x-ray diffraction to examine the structure of fused silica shock compressed to 63 GPa. In contrast to recent laser-driven compression experiments, we find that fused silica adopts a dense amorphous structure at 34 GPa and below. When compressed above 34 GPa, fused silica transforms to untextured polycrystalline stishovite. Our results can explain previously ambiguous features of the shock-compression behavior of fused silica and are consistent with recent molecular dynamics simulations. Stishovite grain sizes are estimated to be ˜5 - 30 nm for compression over a few hundred nanosecond time scale.

Sound velocity measurement in liquid water up to 25 GPa and 900 K: Implications for densities of water at lower mantle conditions

NASA Astrophysics Data System (ADS)

Asahara, Yuki; Murakami, Motohiko; Ohishi, Yasuo; Hirao, Naohisa; Hirose, Kei

2010-01-01

We extended the pressure range of sound velocity measurements for liquid water to 25 GPa and 900 K along the melting curve using a laser heated diamond anvil cell with a combined system of Brillouin scattering and synchrotron X-ray diffraction. Experimental pressure and temperature were obtained by solving simultaneous equations: the melting curve of ice and the equation of state for gold. The sound velocities obtained in liquid water at high pressures and melting temperatures were converted to density using Murnaghan's equation of state by fitting a parameter of the pressure derivative of bulk modulus at 1 GPa. The results are in good agreement with the values predicted by a previously reported equation of state for water based on sound velocity measurements. The equation of state for water obtained in this study could be applicable to water released by dehydration reactions of dense hydrous magnesium silicate phases in cold subducting slabs at lower mantle conditions, although the validity of Murnaghan's equation of state for water should be evaluated in a wider pressure and temperature ranges. The present velocity data provides the basis for future improvement of the accurate thermodynamic model for water at high pressures.

Liquid-Solid Interaction in Al-Si/Al-Mn-Cu-Mg Brazing Sheets and Its Effects on Mechanical Properties

NASA Astrophysics Data System (ADS)

Jin, H.; Kozdras, M. S.; Amirkhiz, B. Shalchi; Winkler, S. L.

2018-05-01

The liquid-solid interaction during brazing at 592 °C to 605 °C and its effects on mechanical properties were investigated in a series of Al-Si/Al-Mn-Cu-Mg brazing sheets with different Mg contents. Depending on the Mg level in core alloy and the brazing temperature, critical changes of local chemistry and microstructure related to the liquid-solid interaction occur, including solid-state diffusion, uniform clad-core interface migration, and grain boundary penetration (GBP). When the Mg in core alloy is below 1 wt pct, the interaction is limited and the formation of a dense precipitation band due to solid-state diffusion of Si from the clad to the core is dominant. As the Mg exceeds 1 wt pct, very extensive interaction occurs resulting in clad-core interface migration and GBP of Si into the core, both involving local melting and re-solidification of the core alloy. Whenever Si from the clad encounters Mg in the core due to the interaction, Mg2Si precipitates are formed leading to significant improvement of strength. However, the interface migration and GBP drastically reduce the ductility, due to the segregation of coarse secondary phase particles along the newly formed grain boundaries.

Liquid-Solid Interaction in Al-Si/Al-Mn-Cu-Mg Brazing Sheets and Its Effects on Mechanical Properties

NASA Astrophysics Data System (ADS)

Jin, H.; Kozdras, M. S.; Amirkhiz, B. Shalchi; Winkler, S. L.

2018-07-01

The liquid-solid interaction during brazing at 592 °C to 605 °C and its effects on mechanical properties were investigated in a series of Al-Si/Al-Mn-Cu-Mg brazing sheets with different Mg contents. Depending on the Mg level in core alloy and the brazing temperature, critical changes of local chemistry and microstructure related to the liquid-solid interaction occur, including solid-state diffusion, uniform clad-core interface migration, and grain boundary penetration (GBP). When the Mg in core alloy is below 1 wt pct, the interaction is limited and the formation of a dense precipitation band due to solid-state diffusion of Si from the clad to the core is dominant. As the Mg exceeds 1 wt pct, very extensive interaction occurs resulting in clad-core interface migration and GBP of Si into the core, both involving local melting and re-solidification of the core alloy. Whenever Si from the clad encounters Mg in the core due to the interaction, Mg2Si precipitates are formed leading to significant improvement of strength. However, the interface migration and GBP drastically reduce the ductility, due to the segregation of coarse secondary phase particles along the newly formed grain boundaries.

Simultaneous PLIF and PIV measurement of a near field turbulent immiscible buoyant oil jet fragmentation in water using liquid-liquid refractive index matching

NASA Astrophysics Data System (ADS)

Xue, Xinzhi; Katz, Joseph

2017-11-01

Very little experimental data exits on the flow structure in the near field of a crude oil jet fragmenting in water because of inability to probe dense droplet cloud. Refractive index-matching is applied to overcome this challenge by using silicone oil and sugar water as a surrogate liquid pair. Their density ratio, viscosity ratio, and interfacial tension are closely matched with those of crude oil and seawater. Simultaneous PLIF and PIV measurements are conducted by fluorescently tagging the oil and seeding both phases with particles. With increasing jet Reynolds and Weber numbers, the oil plume breakup occurs closer to the nozzle, the spreading angle of the jet increases, and the droplet sizes decrease. The varying spread rate is attributed to differences in droplet size distributions. The location of primary oil breakup is consistent with the region of high strain rate fluctuations. What one may perceive as oil droplets in opaque fluids actually consists of multi-layers containing water droplets, which sometimes encapsulate smaller oil droplets, creating a ``Russian Doll'' like phenomenon. This system forms as ligaments of oil and water wrap around each other during entrainment. Results include profiles of mean velocity and turbulence parameters along with energy spectra. Gulf of Mexico Research Inititave.

Optics of short-pitch deformed-helix ferroelectric liquid crystals: Symmetries, exceptional points, and polarization-resolved angular patterns

NASA Astrophysics Data System (ADS)

Kiselev, Alexei D.; Chigrinov, Vladimir G.

2014-10-01

In order to explore electric-field-induced transformations of polarization singularities in the polarization-resolved angular (conoscopic) patterns emerging after deformed-helix ferroelectric liquid crystal (DHFLC) cells with subwavelength helix pitch, we combine the transfer matrix formalism with the results for the effective dielectric tensor of biaxial FLCs evaluated using an improved technique of averaging over distorted helical structures. Within the framework of the transfer matrix method, we deduce a number of symmetry relations and show that the symmetry axis of L lines (curves of linear polarization) is directed along the major in-plane optical axis which rotates under the action of the electric field. When the angle between this axis and the polarization plane of incident linearly polarized light is above its critical value, the C points (points of circular polarization) appear in the form of symmetrically arranged chains of densely packed star-monstar pairs. We also emphasize the role of phase singularities of a different kind and discuss the enhanced electro-optic response of DHFLCs near the exceptional point where the condition of zero-field isotropy is fulfilled.

Mineralogical signatures of stone formation mechanisms.

PubMed

Gower, Laurie B; Amos, Fairland F; Khan, Saeed R

2010-08-01

The mechanisms involved in biomineralization are modulated through interactions with organic matrix. In the case of stone formation, the role of the organic macromolecules in the complex urinary environment is not clear, but the presence of mineralogical 'signatures' suggests that some aspects of stone formation may result from a non-classical crystallization process that is induced by acidic proteins. An amorphous precursor has been detected in many biologically controlled mineralization reactions, which is thought to be regulated by non-specific interactions between soluble acidic proteins and mineral ions. Using in vitro model systems, we find that a liquid-phase amorphous mineral precursor induced by acidic polypeptides can lead to crystal textures that resemble those found in Randall's plaque and kidney stones. This polymer-induced liquid-precursor process leads to agglomerates of coalesced mineral spherules, dense-packed spherulites with concentric laminations, mineral coatings and 'cements', and collagen-associated mineralization. Through the use of in vitro model systems, the mechanisms involved in the formation of these crystallographic features may be resolved, enhancing our understanding of the potential role(s) that proteins play in stone formation.

Modeling, design, packing and experimental analysis of liquid-phase shear-horizontal surface acoustic wave sensors

NASA Astrophysics Data System (ADS)

Pollard, Thomas B

Recent advances in microbiology, computational capabilities, and microelectromechanical-system fabrication techniques permit modeling, design, and fabrication of low-cost, miniature, sensitive and selective liquid-phase sensors and lab-on-a-chip systems. Such devices are expected to replace expensive, time-consuming, and bulky laboratory-based testing equipment. Potential applications for devices include: fluid characterization for material science and industry; chemical analysis in medicine and pharmacology; study of biological processes; food analysis; chemical kinetics analysis; and environmental monitoring. When combined with liquid-phase packaging, sensors based on surface-acoustic-wave (SAW) technology are considered strong candidates. For this reason such devices are focused on in this work; emphasis placed on device modeling and packaging for liquid-phase operation. Regarding modeling, topics considered include mode excitation efficiency of transducers; mode sensitivity based on guiding structure materials/geometries; and use of new piezoelectric materials. On packaging, topics considered include package interfacing with SAW devices, and minimization of packaging effects on device performance. In this work novel numerical models are theoretically developed and implemented to study propagation and transduction characteristics of sensor designs using wave/constitutive equations, Green's functions, and boundary/finite element methods. Using developed simulation tools that consider finite-thickness of all device electrodes, transduction efficiency for SAW transducers with neighboring uniform or periodic guiding electrodes is reported for the first time. Results indicate finite electrode thickness strongly affects efficiency. Using dense electrodes, efficiency is shown to approach 92% and 100% for uniform and periodic electrode guiding, respectively; yielding improved sensor detection limits. A numerical sensitivity analysis is presented targeting viscosity using uniform-electrode and shear-horizontal mode configurations on potassium-niobate, langasite, and quartz substrates. Optimum configurations are determined yielding maximum sensitivity. Results show mode propagation-loss and sensitivity to viscosity are correlated by a factor independent of substrate material. The analysis is useful for designing devices meeting sensitivity and signal level requirements. A novel, rapid and precise microfluidic chamber alignment/bonding method was developed for SAW platforms. The package is shown to have little effect on device performance and permits simple macrofluidic interfacing. Lastly, prototypes were designed, fabricated, and tested for viscosity and biosensor applications; results show ability to detect as low as 1% glycerol in water and surface-bound DNA crosslinking.

Evaporation And Ignition Of Dense Fuel Sprays

NASA Technical Reports Server (NTRS)

Bellan, Josette; Harstad, Kenneth G.

1988-01-01

Simple theoretical model makes useful predictions of trends. Pair of reports presents theoretical model of evaporation and ignition of sprayed liquid fuel. Developed as part of research in combustion of oil and liquid fuels derived from coal, tar sand, and shale in furnace. Work eventually contributes to increase efficiency of combustion and decrease pollution generated by burning of such fuels.

Building firelines with liquid explosive ... some preliminary results

Treesearch

John D. Dell; Franklin R. Ward

1970-01-01

Building firelines in logging slash or dense brush can be costly and hazardous. A new liquid explosive was tested in these and other forest fuel types, It proved effective in brush, understory vegetation, and light-medium slash, but was not effective in deep, heavy slash. Fireline construction by this technique shows promise, but will require more testing and...

Steam injection for in-situ remediation of DNAPLs in low permeability media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sleep, B.

1996-08-01

The potential for remediation of dense, nonaqueous phase liquid (DNAPL) contamination by steam injection is investigated, including the advantages and disadvantages of the technology. The primary advantage is the significant enhancement of removal rates through steam distillation. The disadvantages are related to the lack of field experience with the technology and difficulties related to steam override and channeling in heterogeneous soils. The problems related to steam injection in low permeability fractured clay are examined, and removal times and costs are postulated for a hypothetical DNAPL contamination scenario. It is concluded that steam injection has significant potential for remediation of DNAPLmore » in fractured clay soils, but there is significant uncertainty in predictions of the performance of steam injection in these soils. 13 refs., 4 figs., 1 tab.« less

Biological degradation of dense nonaqueous phase liquids (DNAPLs)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ensley, B.; Strong-Gunderson, J.M.; Palumbo, A.V.

1996-08-01

In situ bioremediation is a very attractive, safe and efficient method of not only removing, but eliminating hazardous compounds from the environment. However, the quickest and most efficient method of restoring a hazardous waste site would be to link several remediation processes. In situ biodegradation can involve the addition of nutrients, oxygen, electron donors, electron acceptors, organisms or all the above. These amendments can be introduced and coupled to a variety of other technologies such as permeability enhancements, chemical treatments and/or physical processes. In addition to in situ technologies, bioremediation in bioreactors is an efficient tool facilitating mineralization of contaminants.more » Overall, biodegradation has a significant potential to increase the rate of site restoration and decrease overall costs. 37 refs., 2 figs.« less

Shear thinning of the Lennard-Jones fluid by molecular dynamics

NASA Astrophysics Data System (ADS)

Heyes, David M.

1985-11-01

Extensive Molecular Dynamics, MD, calculations of the Lennard-Jones, LJ, rheological equation of state have been made. Non-equilibrium MD permits evaluation of shear thinning of the dense LJ liquid which adheres in behaviour quite closely with that of more complex “real molecules”. However, quantitative correspondence with simple analytic formulae for non-Newtonian behaviour used in the treatment of experimental data is hindered by poor prediction of certain key parameters. For example, at low shear rates, the equilibrium Newtonian viscosity and, at high shear rates, a limiting shear stress are often required. Both are difficult to obtain by simulation in the portion of the LJ phase diagram which exhibits significant shear thinning and using present techniques. Suggestions for improving the Eyring model for shear thinning are made.

Liquid Crystals in Chromatography

NASA Astrophysics Data System (ADS)

Witkiewicz, Zygfryd

The following sections are included: * INTRODUCTION * LIQUID CRYSTALS SUITABLE FOR GAS CHROMATOGRAPHY * Monomeric Liquid Crystal Stationary Phases * Polymeric Liquid Crystal Stationary Phases * Polymeric Liquid Crystal Stationary Phases * Conventional Analytical Columns * Capillary Columns * FACTORS AFFECTING THE CHROMATOGRAPHIC SEPARATIONS ON LIQUID CRYSTAL STATIONARY PHASES * Kind of Mesophase of the Liquid Crystal * Molecular Structure of the Liquid Crystals and of the Chromatographed Substances * Substrate on which the Liquid Crystal is Deposited * ANALYTICAL APPLICATIONS OF LIQUID CRYSTAL STATIONARY PHASES IN GAS CHROMATOGRAPHY * Separation of Isomers of Benzene and Naphthalene Derivatives * Separation of Alkane and Alkene Isomers * Separation of Mixtures of Benzene and Aliphatic Hydrocarbon Derivatives Containing Heteroatoms * Separation of Polynuclear Hydrocarbons * INVESTIGATION OF THE PROPERTIES OF LIQUID CRYSTALS BY GAS CHROMATOGRAPHY * APPLICATION OF LIQUID CRYSTALS IN LIQUID CHROMATOGRAPHY * Column Chromatography * Thin-Layer Chromatography * APPLICATION OF LIQUID CRYSTAL STATIONARY PHASES IN SUPERCRITICAL FLUID CHROMATOGRAPHY * FINAL REMARKS * References

Impact of DNAPL Storage in Cracked Low Permeability Layers on Dissolved Contaminant Plume Persistence

NASA Astrophysics Data System (ADS)

Goltz, M. N.; Sievers, K. W.; Huang, J.; Demond, A. H.

2012-12-01

The subsurface storage and transport of a Dense Non-Aqueous Phase Liquid (DNAPL) was evaluated using a numerical model. DNAPLs are organic liquids comprised of slightly water-soluble chemicals or chemical mixtures that have a density greater than water. DNAPLs may pool atop low permeability layers upon entering the subsurface. Even with the removal or destruction of most pooled DNAPL mass, small amounts of the remaining contaminant, which had been transported into the low permeability layer, can dissolve into flowing groundwater and continue to act as a contamination source for decades. Recently developed models assume that transport in the low permeability zones is strictly diffusive; however field observations suggest that more mass is stored in the low permeability zones than can be explained by diffusion alone. Observations and experimental evidence indicate that cracks in low permeability layers may have apertures of sufficient size to allow entry of separate phase DNAPL. In this study, a numerical flow and transport model is employed using a dual domain construct (high and low permeability layers) to investigate the impact of DNAPL entry into cracked low permeability zones on dissolved contaminant plume evolution and persistence. This study found that DNAPL within cracks can significantly contribute to down gradient dissolved phase concentrations; however, the extent of this contribution is very dependent upon the rate of DNAPL dissolution. Given these findings, remediation goals may be difficult to meet if source remediation strategies are used which do not account for the effect of cracking upon contaminant transport and storage in low permeability layers.

Method for separating disparate components in a fluid stream

DOEpatents

Meikrantz, David H.

1990-01-01

The invention provides a method of separating a mixed component waste stream in a centrifugal separator. The mixed component waste stream is introduced into the separator and is centrifugally separated within a spinning rotor. A dual vortex separation occurs due to the phase density differences, with the phases exiting the rotor distinct from one another. In a preferred embodiment, aqueous solutions of organics can be separated with up to 100% efficiency. The relatively more dense water phase is centrifugally separated through a radially outer aperture in the separator, while the relatively less dense organic phase is separated through a radially inner aperture.

Exploring warm dense matter using quantum molecular dynamics

NASA Astrophysics Data System (ADS)

Clérouin, J.; Mazevet, S.

2006-06-01

For dense plasmas produced in shock experiments, the influence of the media on the isolated atomic properties can no longer be treated as a perturbation and conventional atomic physics approaches usually fail. Recently, quantum molecular dynamics (QMD) has been used to successfully predict static, dynamical and optical properties in this regime within the framework of a first principle method. In this short report, we illustrate the usefulness of the method for dense plasmas with a few selected examples: the equation of state of liquid deuterium, the electrical properties of expanded metals, the optical properties of shocked insulators, and the interaction of femto-second lasers with gold thin films.

Validation of in vivo 2D displacements from spiral cine DENSE at 3T.

PubMed

Wehner, Gregory J; Suever, Jonathan D; Haggerty, Christopher M; Jing, Linyuan; Powell, David K; Hamlet, Sean M; Grabau, Jonathan D; Mojsejenko, Walter Dimitri; Zhong, Xiaodong; Epstein, Frederick H; Fornwalt, Brandon K

2015-01-30

Displacement Encoding with Stimulated Echoes (DENSE) encodes displacement into the phase of the magnetic resonance signal. Due to the stimulated echo, the signal is inherently low and fades through the cardiac cycle. To compensate, a spiral acquisition has been used at 1.5T. This spiral sequence has not been validated at 3T, where the increased signal would be valuable, but field inhomogeneities may result in measurement errors. We hypothesized that spiral cine DENSE is valid at 3T and tested this hypothesis by measuring displacement errors at both 1.5T and 3T in vivo. Two-dimensional spiral cine DENSE and tagged imaging of the left ventricle were performed on ten healthy subjects at 3T and six healthy subjects at 1.5T. Intersection points were identified on tagged images near end-systole. Displacements from the DENSE images were used to project those points back to their origins. The deviation from a perfect grid was used as a measure of accuracy and quantified as root-mean-squared error. This measure was compared between 3T and 1.5T with the Wilcoxon rank sum test. Inter-observer variability of strains and torsion quantified by DENSE and agreement between DENSE and harmonic phase (HARP) were assessed by Bland-Altman analyses. The signal to noise ratio (SNR) at each cardiac phase was compared between 3T and 1.5T with the Wilcoxon rank sum test. The displacement accuracy of spiral cine DENSE was not different between 3T and 1.5T (1.2 ± 0.3 mm and 1.2 ± 0.4 mm, respectively). Both values were lower than the DENSE pixel spacing of 2.8 mm. There were no substantial differences in inter-observer variability of DENSE or agreement of DENSE and HARP between 3T and 1.5T. Relative to 1.5T, the SNR at 3T was greater by a factor of 1.4 ± 0.3. The spiral cine DENSE acquisition that has been used at 1.5T to measure cardiac displacements can be applied at 3T with equivalent accuracy. The inter-observer variability and agreement of DENSE-derived peak strains and torsion with HARP is also comparable at both field strengths. Future studies with spiral cine DENSE may take advantage of the additional SNR at 3T.

Effect of Gallium Substitution on Lithium-Ion Conductivity and Phase Evolution in Sputtered Li7-3 xGa xLa3Zr2O12 Thin Films.

PubMed

Rawlence, M; Filippin, A N; Wäckerlin, A; Lin, T-Y; Cuervo-Reyes, E; Remhof, A; Battaglia, C; Rupp, J L M; Buecheler, S

2018-04-25

Replacing the liquid electrolyte in conventional lithium-ion batteries with thin-film solid-state lithium-ion conductors is a promising approach for increasing energy density, lifetime, and safety. In particular, Li 7 La 3 Zr 2 O 12 is appealing due to its high lithium-ion conductivity and wide electrochemical stability window. Further insights into thin-film processing of this material are required for its successful integration into solid-state batteries. In this work, we investigate the phase evolution of Li 7-3 x Ga x La 3 Zr 2 O 12 in thin films with various amounts of Li and Ga for stabilizing the cubic phase. Through this work, we gain valuable insights into the crystallization processes unique to thin films and are able to form dense Li 7-3 x Ga x La 3 Zr 2 O 12 layers stabilized in the cubic phase with high in-plane lithium-ion conductivities of up to 1.6 × 10 -5 S cm -1 at 30 °C. We also note the formation of cubic Li 7 La 3 Zr 2 O 12 at the relatively low temperature of 500 °C.

Nanoscale and Microscale Iron Emulsions for Treating DNAPL

NASA Technical Reports Server (NTRS)

Geiger, Cherie L.

2002-01-01

This study demonstrated the feasibility of using emulsified nanoscale and microscale iron particles to enhance dehalogenation of (Dense Non-Aqueous Phase Liquid) DNAPL free-phase. The emulsified system consisted of a surfactant-stabilized, biodegradable oil-in-water emulsion with nanoscale or microscale iron particles contained within the emulsion droplets. It was demonstrated that DNAPLs, such as trichloroethene (TCE), diffuse through the oil membrane of the emulsion particle whereupon they reach an aqueous interior and the surface of an iron particle where dehalogenation takes place. The hydrocarbon reaction by-products of the dehalogenation reaction, primarily ethene (no chlorinated products detected), diffuse out of the emulsion droplet. This study also demonstrated that an iron-emulsion system could be delivered in-situ to the DNAPL pool in a soil matrix by using a simulated push well technique. Iron emulsions degraded pure TCE at a rate comparable to the degradation of dissolved phase TCE by iron particles, while pure iron had a very low degradation rate for free-phase TCE. The iron-emulsion systems can be injected into a sand matrix where they become immobilized and are not moved by flowing water. It has been documented that surfactant micelles possess the ability to pull pooled TCE into emulsion droplets where degradation of TCE takes place.

RHIC The Perfect Liquid

ScienceCinema

BNL

2017-12-09

Evidence to date suggests that gold-gold collisions the Relativistic Heavy Ion Collider at Brookhaven are indeed creating a new state of hot, dense matter, but one quite different and even more remarkable than had been predicted. Instead of behaving like a gas of free quarks and gluons, as was expected, the matter created in RHIC's heavy ion collisions appears to be more like a "perfect" liquid.

Self-catalyzed growth of S layers via an amorphous-to-crystalline transition limited by folding kinetics.

PubMed

Chung, Sungwook; Shin, Seong-Ho; Bertozzi, Carolyn R; De Yoreo, James J

2010-09-21

The importance of nonclassical, multistage crystallization pathways is increasingly evident from theoretical studies on colloidal systems and experimental investigations of proteins and biomineral phases. Although theoretical predictions suggest that proteins follow these pathways as a result of fluctuations that create unstable dense-liquid states, microscopic studies indicate these states are long-lived. Using in situ atomic force microscopy to follow 2D assembly of S-layer proteins on supported lipid bilayers, we have obtained a molecular-scale picture of multistage protein crystallization that reveals the importance of conformational transformations in directing the pathway of assembly. We find that monomers with an extended conformation first form a mobile adsorbed phase, from which they condense into amorphous clusters. These clusters undergo a phase transition through S-layer folding into crystalline clusters composed of compact tetramers. Growth then proceeds by formation of new tetramers exclusively at cluster edges, implying tetramer formation is autocatalytic. Analysis of the growth kinetics leads to a quantitative model in which tetramer creation is rate limiting. However, the estimated barrier is much smaller than expected for folding of isolated S-layer proteins, suggesting an energetic rationale for this multistage pathway.

Partical Melting of bulk Bi-2212

NASA Technical Reports Server (NTRS)

Heeb, B.; Gauckler, L. J.

1995-01-01

Dense and textured Bi-2212 bulk samples have been produced by the partial melting process. The appropriate amount of liquid phase necessary for complete densification has been adjusted by controlling the maximum processing temperature. The maximum temperature itself has to be adapted to several parameters as powder stoichiometry, silver addition and oxygen partial pressure. Prolonged annealing at 850 and 820 C and cooling in N2 atmosphere led to nearly single phase material with T(sub c) = 92 K. Critical current densities j(sub c) of 2'200 A/sq cm at 77 K/0 T have been achieved in samples of more than 1 mm thickness. Reducing the thickness below 0.4 mm enhances j(sub c) considerably to values is greater than 4'000 A/sq cm. The addition of 2 wt% Ag decreases the solidus temperature of the Bi-2212 powder by 21 C. Therefore, the maximum heat treatment temperature of Ag containing samples can be markedly lowered leading to a reduction of the amount of secondary phases. In addition, Ag enhances slightly the texture over the entire cross section and as a result j(sub c) at 77 K/0 T.

Degradation of trichloroethene with a noval ball milled Fe-C nanocomposite

DOE PAGES

Gao, Jie; Wang, Wei; Rondinone, Adam Justin; ...

2015-07-18

Nanoscale zero-valent iron (NZVI) is effective in reductively degrading dense non-aqueous phase liquids (DNAPLs), such as trichloroethene (TCE), in groundwater (i.e., dechlorination) although the NZVI technology itself still suffers from high material costs and inability to target hydrophobic contaminants in source zones. To address these problems, we developed a novel, inexpensive iron-carbon (Fe-C) nanocomposite material by simultaneously milling micron-size iron and activated carbon powder. Microscopic and X-ray diffraction (XRD) characterization of the composite material revealed that nanoparticles of Fe were dispersed in activated carbon and a new iron carbide phase was formed. Bench-scale studies showed that this material instantaneously sorbedmore » >90% of TCE from aqueous solutions and subsequently decomposed TCE into non-chlorinated products. Compared to milled Fe, Fe-C nanocomposite dechlorinated TCE at a slightly slower rate and favored the production of ethene over other TCE degradation products such as C 3-C 6 compounds. When placed in hexane-water mixture, the Fe-C nanocomposite materials are preferentially partitioned into the organic phase, indicating the ability of the composite materials to target DNAPL during remediation.« less

Kinetic limitations on tracer partitioning in ganglia dominated source zones.

PubMed

Ervin, Rhiannon E; Boroumand, Ali; Abriola, Linda M; Ramsburg, C Andrew

2011-11-01

Quantification of the relationship between dense nonaqueous phase liquid (DNAPL) source strength, source longevity and spatial distribution is increasingly recognized as important for effective remedial design. Partitioning tracers are one tool that may permit interrogation of DNAPL architecture. Tracer data are commonly analyzed under the assumption of linear, equilibrium partitioning, although the appropriateness of these assumptions has not been fully explored. Here we focus on elucidating the nonlinear and nonequilibrium partitioning behavior of three selected alcohol tracers - 1-pentanol, 1-hexanol and 2-octanol in a series of batch and column experiments. Liquid-liquid equilibria for systems comprising water, TCE and the selected alcohol illustrate the nonlinear distribution of alcohol between the aqueous and organic phases. Complete quantification of these equilibria facilitates delineation of the limits of applicability of the linear partitioning assumption, and assessment of potential inaccuracies associated with measurement of partition coefficients at a single concentration. Column experiments were conducted under conditions of non-equilibrium to evaluate the kinetics of the reversible absorption of the selected tracers in a sandy medium containing a uniform entrapped saturation of TCE-DNAPL. Experimental tracer breakthrough data were used, in conjunction with mathematical models and batch measurements, to evaluate alternative hypotheses for observed deviations from linear equilibrium partitioning behavior. Analyses suggest that, although all tracers accumulate at the TCE-DNAPL/aqueous interface, surface accumulation does not influence transport at concentrations typically employed for tracer tests. Moreover, results reveal that the kinetics of the reversible absorption process are well described using existing mass transfer correlations originally developed to model aqueous boundary layer resistance for pure-component NAPL dissolution. Copyright © 2011 Elsevier B.V. All rights reserved.

Coupled Growth in Hypermonotectics

NASA Technical Reports Server (NTRS)

Andrews, J. Barry; Coriell, Sam R.

2001-01-01

The overall objective of this project is to obtain a fundamental understanding of the physics controlling solidification processes in immiscible alloy systems. The investigation involves both experimentation and the development of a model describing solidification in monotectic systems. The experimental segment was designed to first demonstrate that it is possible to obtain interface stability and steady state coupled growth in hypermonotectic alloys through microgravity processing. Microgravity results obtained to date have verified this possibility. Future flights will permit experimental determination of the limits of interface stability and the influence of alloy composition and growth rate on microstructure. The objectives of the modeling segment of the investigation include prediction of the limits of interface stability, modeling of convective flow due to residual acceleration, and the influence of surface tension driven flows at the solidification interface. The study of solidification processes in immiscible alloy systems is hindered by the inherent convective flow that occurs on Earth and by the possibility of sedimentation of the higher density immiscible liquid phase. It has been shown that processing using a high thermal gradient and a low growth rate can lead to a stable macroscopically planar growth front even in hypermonotectic alloys. Processing under these growth conditions can avoid constitutional supercooling and prevent the formation of the minor immiscible liquid phase in advance of the solidification front. However, the solute depleted boundary layer that forms in advance of the solidification front is almost always less dense than the liquid away from the solidification front. As a result, convective instability is expected. Ground based testing has indicated that convection is a major problem in these alloy systems and leads to gross compositional variations along the sample and difficulties maintaining interface stability. Sustained low gravity processing conditions are necessary in order to minimize these problems and obtain solidification conditions which approach steady state.

Symmetry energy in cold dense matter

NASA Astrophysics Data System (ADS)

Jeong, Kie Sang; Lee, Su Houng

2016-01-01

We calculate the symmetry energy in cold dense matter both in the normal quark phase and in the 2-color superconductor (2SC) phase. For the normal phase, the thermodynamic potential is calculated by using hard dense loop (HDL) resummation to leading order, where the dominant contribution comes from the longitudinal gluon rest mass. The effect of gluonic interaction on the symmetry energy, obtained from the thermodynamic potential, was found to be small. In the 2SC phase, the non-perturbative BCS paring gives enhanced symmetry energy as the gapped states are forced to be in the common Fermi sea reducing the number of available quarks that can contribute to the asymmetry. We used high density effective field theory to estimate the contribution of gluon interaction to the symmetry energy. Among the gluon rest masses in 2SC phase, only the Meissner mass has iso-spin dependence although the magnitude is much smaller than the Debye mass. As the iso-spin dependence of gluon rest masses is even smaller than the case in the normal phase, we expect that the contribution of gluonic interaction to the symmetry energy in the 2SC phase will be minimal. The different value of symmetry energy in each phase will lead to different prediction for the particle yields in heavy ion collision experiment.

On the fluctuations that drive small ions toward, and away from, interfaces between polar liquids and their vapors

PubMed Central

Noah-Vanhoucke, Joyce; Geissler, Phillip L.

2009-01-01

Contrary to the expectations from classic theories of ion solvation, spectroscopy and computer simulations of the liquid–vapor interface of aqueous electrolyte solutions suggest that ions little larger than a water molecule can prefer to reside near the liquid's surface. Here we advance the view that such affinity originates in a competition between strong opposing forces, primarily due to volume exclusion and dielectric polarization, that are common to all dense polar liquids. We present evidence for this generic mechanism from computer simulations of (i) water and (ii) a Stockmayer fluid near its triple point. In both cases, we show that strong surface enhancement of small ions, obtained by tuning solutes' size and charge, can be accentuated or suppressed by modest changes in either of those parameters. Statistics of solvent polarization, when the ion is held at and above the Gibbs dividing surface, highlight a basic deficiency in conventional models of dielectric response, namely, the neglect of interfacial flexibility. By distorting the solution's boundary, an ion experiences fluctuations in electrostatic potential and in electric field whose magnitudes attenuate much more gradually (as the ion is removed from the liquid phase) than for a quiescent planar interface. As one consequence, the collective responses that determine free energies of solvation can resolve very differently in nonuniform environments than in bulk. We show that this persistence of electric-field fluctuations additionally shapes the sensitivity of solute distributions to ion polarizability. PMID:19720991

Mixed ionic and electronic conducting ceramic membranes for hydrocarbon processing

DOEpatents

Van Calcar, Pamela; Mackay, Richard; Sammells, Anthony F.

2002-01-01

The invention relates to mixed phase materials for the preparation of catalytic membranes which exhibit ionic and electronic conduction and which exhibit improved mechanical strength compared to single phase ionic and electronic conducting materials. The mixed phase materials are useful for forming gas impermeable membranes either as dense ceramic membranes or as dense thin films coated onto porous substrates. The membranes and materials of this invention are useful in catalytic membrane reactors in a variety of applications including synthesis gas production. One or more crystalline second phases are present in the mixed phase material at a level sufficient to enhance the mechanical strength of the mixture to provide membranes for practical application in CMRs.

Phase diagrams of nonionic foam films: construction by means of disjoining pressure versus thickness curves.

PubMed

Stubenrauch, Cosima; Kashchiev, Dimo; Strey, Reinhard

2004-12-01

The thickness h of foam films can be measured as a function of the disjoining pressure Pi using a thin film pressure balance. Experimental Pi-h curves of foam films stabilized with nonionic surfactants measured at various concentrations resemble the p-V(m) isotherms of real gases measured at various temperatures (p is the pressure and V(m) is the molar volume of the gas). This observation led us to adopt the van der Waals approach for describing real gases to thin foam films, where the thickness h takes the role of V(m) and the disjoining pressure Pi replaces the ordinary pressure p. Our analysis results in a phase diagram for a thin foam film with spinodal, binodal as well as a critical point. The thicker common black film corresponds to the gas phase and the compact Newton black film for which the two surfaces are in direct contact corresponds to the dense liquid. We show that the tuning parameter for the phase behavior of the film is the surface charge density, which means that Pi-h curves should not be referred to as isotherms. In addition to the equilibrium properties the driving force for the phase transition from a common black film to a Newton black film or vice versa is calculated. We discuss how this transition can be controlled experimentally.

Dense matter in strong gravitational field of neutron star

NASA Astrophysics Data System (ADS)

Bhat, Sajad A.; Bandyopadhyay, Debades

2018-02-01

Mass, radius and moment of inertia are direct probes of compositions and Equation of State (EoS) of dense matter in neutron star interior. These are computed for novel phases of dense matter involving hyperons and antikaon condensate and their observable consequences are discussed in this article. Furthermore, the relationship between moment of inertia and quadrupole moment is also explored.

Single-Axis Acoustic Levitator With Rotation Control

NASA Technical Reports Server (NTRS)

Trinh, E. H.; Olli, E. E.

1987-01-01

Rotation-control equipment simplified. Acoustic levitator with rotation control handles liquid and solid specimens as dense as steel in both low gravity and normal Earth gravity. Levitator is single-axis type.

Images reveal that atmospheric particles can undergo liquid-liquid phase separations.

PubMed

You, Yuan; Renbaum-Wolff, Lindsay; Carreras-Sospedra, Marc; Hanna, Sarah J; Hiranuma, Naruki; Kamal, Saeid; Smith, Mackenzie L; Zhang, Xiaolu; Weber, Rodney J; Shilling, John E; Dabdub, Donald; Martin, Scot T; Bertram, Allan K

2012-08-14

A large fraction of submicron atmospheric aerosol particles contains both organic material and inorganic salts. As the relative humidity cycles in the atmosphere and the water content of the particles correspondingly changes, these mixed particles can undergo a range of phase transitions, possibly including liquid-liquid phase separation. If liquid-liquid phase separation occurs, the gas-particle partitioning of atmospheric semivolatile organic compounds, the scattering and absorption of solar radiation, and the reactive uptake of gas species on atmospheric particles may be affected, with important implications for climate predictions. The actual occurrence of liquid-liquid phase separation within individual atmospheric particles has been considered uncertain, in large part because of the absence of observations for real-world samples. Here, using optical and fluorescence microscopy, we present images that show the coexistence of two noncrystalline phases for real-world samples collected on multiple days in Atlanta, GA as well as for laboratory-generated samples under simulated atmospheric conditions. These results reveal that atmospheric particles can undergo liquid-liquid phase separations. To explore the implications of these findings, we carried out simulations of the Atlanta urban environment and found that liquid-liquid phase separation can result in increased concentrations of gas-phase NO(3) and N(2)O(5) due to decreased particle uptake of N(2)O(5).

Electronic and structural transitions in dense liquid sodium.

PubMed

Raty, Jean-Yves; Schwegler, Eric; Bonev, Stanimir A

2007-09-27

At ambient conditions, the light alkali metals are free-electron-like crystals with a highly symmetric structure. However, they were found recently to exhibit unexpected complexity under pressure. It was predicted from theory--and later confirmed by experiment--that lithium and sodium undergo a sequence of symmetry-breaking transitions, driven by a Peierls mechanism, at high pressures. Measurements of the sodium melting curve have subsequently revealed an unprecedented (and still unexplained) pressure-induced drop in melting temperature from 1,000 K at 30 GPa down to room temperature at 120 GPa. Here we report results from ab initio calculations that explain the unusual melting behaviour in dense sodium. We show that molten sodium undergoes a series of pressure-induced structural and electronic transitions, analogous to those observed in solid sodium but commencing at much lower pressure in the presence of liquid disorder. As pressure is increased, liquid sodium initially evolves by assuming a more compact local structure. However, a transition to a lower-coordinated liquid takes place at a pressure of around 65 GPa, accompanied by a threefold drop in electrical conductivity. This transition is driven by the opening of a pseudogap, at the Fermi level, in the electronic density of states--an effect that has not hitherto been observed in a liquid metal. The lower-coordinated liquid emerges at high temperatures and above the stability region of a close-packed free-electron-like metal. We predict that similar exotic behaviour is possible in other materials as well.

Comparison of cryopreserved human sperm in vapor and liquid phases of liquid nitrogen: effect on motility parameters, morphology, and sperm function.

PubMed

Punyatanasakchai, Piyaphan; Sophonsritsuk, Areephan; Weerakiet, Sawaek; Wansumrit, Surapee; Chompurat, Deonthip

2008-11-01

To compare the effects of cryopreserved sperm in vapor and liquid phases of liquid nitrogen on sperm motility, morphology, and sperm function. Experimental study. Andrology laboratory at Ramathibodi Hospital, Thailand. Thirty-eight semen samples with normal motility and sperm count were collected from 38 men who were either patients of an infertility clinic or had donated sperm for research. Each semen sample was divided into two aliquots. Samples were frozen with static-phase vapor cooling. One aliquot was plunged into liquid nitrogen (-196 degrees C), and the other was stored in vapor-phase nitrogen (-179 degrees C) for 3 days. Thawing was performed at room temperature. Motility was determined by using computer-assisted semen analysis, sperm morphology was determined by using eosin-methylene blue staining, and sperm function was determined by using a hemizona binding test. Most of the motility parameters of sperm stored in the vapor phase were not significantly different from those stored in the liquid phase of liquid nitrogen, except in amplitude of lateral head displacement. The percentages of normal sperm morphology in both vapor and liquid phases also were not significantly different. There was no significant difference in the number of bound sperm in hemizona between sperm cryopreserved in both vapor and liquid phases of liquid nitrogen. Cryopreservation of human sperm in a vapor phase of liquid nitrogen was comparable to cryopreservation in a liquid phase of liquid nitrogen.

Predicting glass-to-glass and liquid-to-liquid phase transitions in supercooled water using classical nucleation theory

NASA Astrophysics Data System (ADS)

Tournier, Robert F.

2018-01-01

Glass-to-glass and liquid-to-liquid phase transitions are observed in bulk and confined water, with or without applied pressure. They result from the competition of two liquid phases separated by an enthalpy difference depending on temperature. The classical nucleation equation of these phases is completed by this quantity existing at all temperatures, a pressure contribution, and an enthalpy excess. This equation leads to two homogeneous nucleation temperatures in each liquid phase; the first one (Tn- below Tm) being the formation temperature of an "ordered" liquid phase and the second one corresponding to the overheating temperature (Tn+ above Tm). Thermodynamic properties, double glass transition temperatures, sharp enthalpy and volume changes are predicted in agreement with experimental results. The first-order transition line at TLL = 0.833 × Tm between fragile and strong liquids joins two critical points. Glass phase above Tg becomes "ordered" liquid phase disappearing at TLL at low pressure and at Tn+ = 1.302 × Tm at high pressure.

Floating liquid phase in sedimenting colloid-polymer mixtures.

PubMed

Schmidt, Matthias; Dijkstra, Marjolein; Hansen, Jean-Pierre

2004-08-20

Density functional theory and computer simulation are used to investigate sedimentation equilibria of colloid-polymer mixtures within the Asakura-Oosawa-Vrij model of hard sphere colloids and ideal polymers. When the ratio of buoyant masses of the two species is comparable to the ratio of differences in density of the coexisting bulk (colloid) gas and liquid phases, a stable "floating liquid" phase is found, i.e., a thin layer of liquid sandwiched between upper and lower gas phases. The full phase diagram of the mixture under gravity shows coexistence of this floating liquid phase with a single gas phase or a phase involving liquid-gas equilibrium; the phase coexistence lines meet at a triple point. This scenario remains valid for general asymmetric binary mixtures undergoing bulk phase separation.

Observations of liquid-liquid phase separation in several types of secondary organic materials free of inorganic salts

NASA Astrophysics Data System (ADS)

Song, M.; Liu, P.; Martin, S. T.; Bertram, A. K.; Ham, S.

2016-12-01

Particles consisting of secondary organic materials (SOMs) are ubiquitous in the atmosphere. In order to predict the role of these particles in climate, visibility, and atmospheric chemistry, knowledge of the phase states of the particles is required. However, the phase states of the SOMs are still poorly understood. Herein we focused on liquid-liquid phase separation in different types of SOM particles free of inorganic salts produced by the ozonolysis of β-caryophyllene, ozonolysis of limonene, photo-oxidation of isoprene, and photo-oxidation of toluene. Liquid-liquid phase separation was investigated using optical microscopy and SOM particle mass concentrations ranging from 15 µg·m-3 to 7000 µg·m-3. During humidity cycles, liquid-liquid phase separation was observed in β-caryophyllene-derived SOM and limonene-derived SOM particles while no liquid-liquid phase separation was observed in isoprene-derived SOM and toluene-derived SOM particles. Results from the studies will be presented.

Fractionalized Fermi liquids and exotic superconductivity in the Kitaev-Kondo lattice

NASA Astrophysics Data System (ADS)

Seifert, Urban F. P.; Meng, Tobias; Vojta, Matthias

2018-02-01

Fractionalized Fermi liquids (FL*) have been introduced as non-Fermi-liquid metallic phases, characterized by coexisting electron-like charge carriers and local moments which form a fractionalized spin liquid. Here we investigate a Kondo lattice model on the honeycomb lattice with Kitaev interactions among the local moments, a concrete model hosting FL* phases based on Kitaev's Z2 spin liquid. We characterize the FL* phases via perturbation theory, and we employ a Majorana-fermion mean-field theory to map out the full phase diagram. Most remarkably we find nematic triplet superconducting phases which mask the quantum phase transition between fractionalized and conventional Fermi liquid phases. Their pairing structure is inherited from the Kitaev spin liquid; i.e., superconductivity is driven by Majorana glue.

Application of the UTCHEM simulator to DNAPL site characterization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Butler, G.W.

1995-12-31

Numerical simulation using the University of Texas Chemical Flood Simulator (UTCHEM) was used to evaluate two dense, nonaqueous phase liquid (DNAPL) characterization methods. The methods involved the use of surfactants and partitioning tracers to characterize a suspected trichloroethene (TCE) DNAPL zone beneath a US Air Force Plant in Texas. The simulations were performed using a cross-sectional model of the alluvial aquifer in an area that is believed to contain residual TCE at the base of the aquifer. Characterization simulations compared standard groundwater sampling, an interwell NAPL Solubilization Test, and an interwell NAPL Partitioning Tracer Test. The UTCHEM simulations illustrated howmore » surfactants and partitioning tracers can be used to give definite evidence of the presence and volume of DNAPL in a situation where conventional groundwater sampling can only indicate the existence of the dissolved contaminant plume.« less

Approximate analysis of the formation of a buoyant solid sphere in a supercooled melt

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solomon, A.D.; Wilson, D.G.; Alexiades, V.

1986-03-01

A mathematical model is presented for the idealized formation and development of a buoyant sphere solidifying in an infinite pool of supercooled liquid. The solid and liquid are of the same pure material and the solid is less dense than the liquid. Initially the liquid is at a uniform temperature that is below its equilibrium freezing temperature, T/sub cr/, but above the so called hypercooled temperature, T/sub cr/ - H/c/sub L/. Here H and c/sub L/ are the latent heat of solidification and the specific heat of the liquid, respectively. An approximate solution is derived based on the Megerlin approximationmore » method. 11 refs.« less

A survey of the geophysical properties of chlorinated DNAPLs

NASA Astrophysics Data System (ADS)

Ajo-Franklin, Jonathan B.; Geller, Jil T.; Harris, Jerry M.

2006-07-01

Dense Non Aqueous Phase Liquids (DNAPLs) are a family of fluids often encountered as industrial contaminants. Some of the most problematic DNAPLs are chlorinated solvents such as trichloroethylene (TCE) and tetrachloroethylene (PCE). While many DNAPLs have been extensively studied from a hydrology perspective, documentation of DNAPL properties relevant to geophysical detection is far from complete. We present a short survey of acoustic velocity, density, and dielectric constant measurements for an important subset of commonly encountered dense chlorinated contaminants. Viscosity and surface tension data are included to allow exploration of contaminant signatures within the context of poroelastic or contact theory models. Where available, the temperature dependence of solvent properties are also provided. Densities for the listed DNAPLs range from 1253 to 1622 kg/m 3 at 20 °C. All are effectively non-polar with dielectric constants between 2.2 and 10.9 and have relatively low compressional wave velocities ranging from 938 to 1217 m/s. We conclude with documentation of a small collection of recent experiments investigating the properties of soils partially saturated with similar fluids. Current laboratory evidence demonstrates that DNAPLs can produce changes in geophysically measurable properties. We hope that this survey will facilitate further studies of the feasibility and effectiveness of geophysical techniques for detection of DNAPLs in the subsurface.

Activated dynamics in dense fluids of attractive nonspherical particles. II. Elasticity, barriers, relaxation, fragility, and self-diffusion

NASA Astrophysics Data System (ADS)

Tripathy, Mukta; Schweizer, Kenneth S.

2011-04-01

In paper II of this series we apply the center-of-mass version of Nonlinear Langevin Equation theory to study how short-range attractive interactions influence the elastic shear modulus, transient localization length, activated dynamics, and kinetic arrest of a variety of nonspherical particle dense fluids (and the spherical analog) as a function of volume fraction and attraction strength. The activation barrier (roughly the natural logarithm of the dimensionless relaxation time) is predicted to be a rich function of particle shape, volume fraction, and attraction strength, and the dynamic fragility varies significantly with particle shape. At fixed volume fraction, the barrier grows in a parabolic manner with inverse temperature nondimensionalized by an onset value, analogous to what has been established for thermal glass-forming liquids. Kinetic arrest boundaries lie at significantly higher volume fractions and attraction strengths relative to their dynamic crossover analogs, but their particle shape dependence remains the same. A limited universality of barrier heights is found based on the concept of an effective mean-square confining force. The mean hopping time and self-diffusion constant in the attractive glass region of the nonequilibrium phase diagram is predicted to vary nonmonotonically with attraction strength or inverse temperature, qualitatively consistent with recent computer simulations and colloid experiments.

Automated hollow-fiber liquid-phase microextraction followed by liquid chromatography with mass spectrometry for the determination of benzodiazepine drugs in biological samples.

PubMed

Nazaripour, Ali; Yamini, Yadollah; Ebrahimpour, Behnam; Fasihi, Javad

2016-07-01

In this study, two-phase hollow-fiber liquid-phase microextraction and three-phase hollow-fiber liquid-phase microextraction based on two immiscible organic solvents were compared for extraction of oxazepam and Lorazepam. Separations were performed on a liquid chromatography with mass spectrometry instrument. Under optimal conditions, three-phase hollow-fiber liquid-phase microextraction based on two immiscible organic solvents has a better extraction efficiency. In a urine sample, for three-phase hollow fiber liquid-phase microextraction based on two immiscible organic solvents, the calibration curves were found to be linear in the range of 0.6-200 and 0.9-200 μg L(-1) and the limits of detection were 0.2 and 0.3 μg L(-1) for oxazepam and lorazepam, respectively. For two-phase hollow fiber liquid-phase microextraction, the calibration curves were found to be linear in the range of 1-200 and 1.5-200 μg L(-1) and the limits of detection were 0.3 and 0.5 μg L(-1) for oxazepam and lorazepam, respectively. In a urine sample, for three-phase hollow-fiber-based liquid-phase microextraction based on two immiscible organic solvents, relative standard deviations in the range of 4.2-4.5% and preconcentration factors in the range of 70-180 were obtained for oxazepam and lorazepam, respectively. Also for the two-phase hollow-fiber liquid-phase microextraction, preconcentration factors in the range of 101-257 were obtained for oxazepam and lorazepam, respectively. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Liquid-liquid phase transition in an ionic model of silica

NASA Astrophysics Data System (ADS)

Chen, Renjie; Lascaris, Erik; Palmer, Jeremy C.

2017-06-01

Recent equation of state calculations [E. Lascaris, Phys. Rev. Lett. 116, 125701 (2016)] for an ionic model of silica suggest that it undergoes a density-driven, liquid-liquid phase transition (LLPT) similar to the controversial transition hypothesized to exist in deeply supercooled water. Here, we perform extensive free energy calculations to scrutinize the model's low-temperature phase behavior and confirm the existence of a first-order phase transition between two liquids with identical compositions but different densities. The low-density liquid (LDL) exhibits tetrahedral order, which is partially disrupted in the high-density liquid (HDL) by the intrusion of additional particles into the primary neighbor shell. Histogram reweighting methods are applied to locate conditions of HDL-LDL coexistence and the liquid spinodals that bound the two-phase region. Spontaneous liquid-liquid phase separation is also observed directly in large-scale molecular dynamics simulations performed inside the predicted two-phase region. Given its clear LLPT, we anticipate that this model may serve as a paradigm for understanding whether similar transitions occur in water and other tetrahedral liquids.

Effects of surface tension and viscosity on gold and silver sputtered onto liquid substrates

NASA Astrophysics Data System (ADS)

De Luna, Mark M.; Gupta, Malancha

2018-05-01

In this paper, we study DC magnetron sputtering of gold and silver onto liquid substrates of varying viscosities and surface tensions. We were able to separate the effects of viscosity from surface tension by depositing the metals onto silicone oils with a range of viscosities. The effects of surface tension were studied by depositing the metals onto squalene, poly(ethylene glycol), and glycerol. It was found that dispersed nanoparticles were formed on liquids with low surface tension and low viscosity whereas dense films were formed on liquids with low surface tension and high viscosity. Nanoparticles were formed on both the liquid surface and within the bulk liquid for high surface tension liquids. Our results can be used to tailor the metal and liquid interaction to fabricate particles and films for various applications in optics, electronics, and catalysis.

Phase change based cooling for high burst mode heat loads with temperature regulation above the phase change temperature

DOEpatents

The United States of America as represented by the United States Department of Energy

2009-12-15

An apparatus and method for transferring thermal energy from a heat load is disclosed. In particular, use of a phase change material and specific flow designs enables cooling with temperature regulation well above the fusion temperature of the phase change material for medium and high heat loads from devices operated intermittently (in burst mode). Exemplary heat loads include burst mode lasers and laser diodes, flight avionics, and high power space instruments. Thermal energy is transferred from the heat load to liquid phase change material from a phase change material reservoir. The liquid phase change material is split into two flows. Thermal energy is transferred from the first flow via a phase change material heat sink. The second flow bypasses the phase change material heat sink and joins with liquid phase change material exiting from the phase change material heat sink. The combined liquid phase change material is returned to the liquid phase change material reservoir. The ratio of bypass flow to flow into the phase change material heat sink can be varied to adjust the temperature of the liquid phase change material returned to the liquid phase change material reservoir. Varying the flowrate and temperature of the liquid phase change material presented to the heat load determines the magnitude of thermal energy transferred from the heat load.

Distortion of liquid film discharging from twin-fluid atomizer

NASA Astrophysics Data System (ADS)

Mehring, C.; Sirignano, W. A.

2001-11-01

The nonlinear distortion and disintegration of a thin liquid film exiting from a two-dimensional twin-fluid atomizer is analyzed numerically. Pulsed gas jets impacting on both sides of the discharging liquid film at the atomizer exit generate dilational and/or sinuous deformations of the film. Both liquid phase and gas phase are inviscid and incompressible. For the liquid phase the so-called long-wavelength approximation is employed yielding a system of unsteady one-dimensional equations for the planar film. Solution of Laplace's equation for the velocity potential yields the gas-phase velocity field on both sides of the liquid stream. Coupling between both phases is described through kinematic and dynamic boundary conditions at the phase interfaces, and includes the solution of the unsteady Bernoulli equation to determine the gas-phase pressure along the interfaces. Both gas- and liquid-phase equations are solved simultaneously. Solution of Laplace's equation for the gas streams is obtained by means of a boundary-element method. Numerical solutions for the liquid phase use the Lax-Wendroff method with Richtmyer splitting. Sheet distortion resulting from the stagnation pressure of the impacting gas jets and subsequent disturbance amplification due to Kelvin-Helmholtz effects are studied for various combinations of gas-pulse timing, gas-jet impact angles, gas-to-liquid-density ratio, liquid-phase Weber number and gas-jet-to-liquid-jet-momentum ratio. Dilational and sinuous oscillations of the liquid are examined and film pinch-off is predicted.

Detection of mass regions in mammograms by bilateral analysis adapted to breast density using similarity indexes and convolutional neural networks.

PubMed

Bandeira Diniz, João Otávio; Bandeira Diniz, Pedro Henrique; Azevedo Valente, Thales Levi; Corrêa Silva, Aristófanes; de Paiva, Anselmo Cardoso; Gattass, Marcelo

2018-03-01

The processing of medical image is an important tool to assist in minimizing the degree of uncertainty of the specialist, while providing specialists with an additional source of detect and diagnosis information. Breast cancer is the most common type of cancer that affects the female population around the world. It is also the most deadly type of cancer among women. It is the second most common type of cancer among all others. The most common examination to diagnose breast cancer early is mammography. In the last decades, computational techniques have been developed with the purpose of automatically detecting structures that maybe associated with tumors in mammography examination. This work presents a computational methodology to automatically detection of mass regions in mammography by using a convolutional neural network. The materials used in this work is the DDSM database. The method proposed consists of two phases: training phase and test phase. The training phase has 2 main steps: (1) create a model to classify breast tissue into dense and non-dense (2) create a model to classify regions of breast into mass and non-mass. The test phase has 7 step: (1) preprocessing; (2) registration; (3) segmentation; (4) first reduction of false positives; (5) preprocessing of regions segmented; (6) density tissue classification (7) second reduction of false positives where regions will be classified into mass and non-mass. The proposed method achieved 95.6% of accuracy in classify non-dense breasts tissue and 97,72% accuracy in classify dense breasts. To detect regions of mass in non-dense breast, the method achieved a sensitivity value of 91.5%, and specificity value of 90.7%, with 91% accuracy. To detect regions in dense breasts, our method achieved 90.4% of sensitivity and 96.4% of specificity, with accuracy of 94.8%. According to the results achieved by CNN, we demonstrate the feasibility of using convolutional neural networks on medical image processing techniques for classification of breast tissue and mass detection. Copyright © 2018 Elsevier B.V. All rights reserved.

A Review of Multidimensional, Multifluid Intermediate-scale Experiments: Flow Behavior, Saturation Imaging, and Tracer Detection and Quantification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oostrom, Mart; Dane, J. H.; Wietsma, Thomas W.

2007-08-01

A review is presented of original multidimensional, intermediate-scale experiments involving non-aqueous phase liquid (NAPL) flow behavior, imaging, and detection/quantification with solute tracers. In a companion paper (Oostrom, M., J.H. Dane, and T.W. Wietsma. 2006. A review of multidimensional, multifluid intermediate-scale experiments: Nonaqueous phase dissolution and enhanced remediation. Vadose Zone Journal 5:570-598) experiments related to aqueous dissolution and enhanced remediation were discussed. The experiments investigating flow behavior include infiltration and redistribution experiments with both light and dense NAPLs in homogeneous and heterogeneous porous medium systems. The techniques used for NAPL saturation mapping for intermediate-scale experiments include photon-attenuation methods such as gammamore » and X-ray techniques, and photographic methods such as the light reflection, light transmission, and multispectral image analysis techniques. Solute tracer methods used for detection and quantification of NAPL in the subsurface are primarily limited to variations of techniques comparing the behavior of conservative and partitioning tracers. Besides a discussion of the experimental efforts, recommendations for future research at this laboratory scale are provided.« less

Processing of transparent polycrystalline AlON:Ce 3+ scintillators

DOE PAGES

Chen, Ching -Fong; Yang, Pin; King, Graham; ...

2015-10-23

A new polycrystalline ceramic scintillator is reported for potential use in radiation detection and medical imaging applications. The goal was to develop cerium-activated aluminum oxynitride (AlON:Ce 3+) ceramics, which can be produced using ceramic processes in comparison to the high-cost, low-yield single-crystal growth technique. A phase pure AlON:Ce 3+ powder with cubic symmetry was successfully synthesized at high temperature under a reducing atmosphere to convert Ce 4+ to Ce 3+ in the solid solution. We explored two different activator concentrations (0.5 and 1.0 mol%). Fully dense and transparent AlON:Ce 3+ ceramics were produced by a liquid-phase-assisted pressureless sintering. The crystalmore » field splitting around the Ce 3+ activator in the AlON was comparable to the splitting induced by Br₋ and the Cl₋ ligands, which produced an emission spectrum perfectly matching the maximum quantum efficiency range of the photomultiplier tube for radiation detection. Both optical excitation and radiation ionizations in AlON:Ce 3+ were demonstrated. Lastly, challenges and mechanisms related to the radioluminescence efficiency are discussed.« less

Effect of SO2 concentration as an impurity on carbon steel corrosion under subcritical CO2 environment

NASA Astrophysics Data System (ADS)

Mahlobo, MGR; Premlall, K.; Olubambi, PA

2017-12-01

Carbon dioxide (CO2) is considered to be easier to transport over moderate distances when turned into supercritical state (dense phase) than at any other state. Because of this reason, the transportation of CO2 during carbon capture and storage requires CO2 to be at its supercritical state. CO2 temperature profile from different regions causes CO2 to deviate between supercritical and subcritical state (gas/liquid phase). In this study the influence of sulphur dioxide (SO2) on the corrosion of carbon steel was evaluated under different SO2 concentrations (0.5, 1.5 and 5%) in combination with subcritical CO2. Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD) and Energy-Dispersive X-ray Spectroscopy (EDS) were used to characterize the CO2 corrosion product layer formed on the carbon steel surface. The weight loss results showed that corrosion rate increased with SO2 concentration with corrosion rate up to 7.45 mm/year while at 0% SO2 the corrosion rate was 0.067 mm/year.

Molecular dynamics for dense matter

NASA Astrophysics Data System (ADS)

Maruyama, Toshiki; Watanabe, Gentaro; Chiba, Satoshi

2012-08-01

We review a molecular dynamics method for nucleon many-body systems called quantum molecular dynamics (QMD), and our studies using this method. These studies address the structure and the dynamics of nuclear matter relevant to neutron star crusts, supernova cores, and heavy-ion collisions. A key advantage of QMD is that we can study dynamical processes of nucleon many-body systems without any assumptions about the nuclear structure. First, we focus on the inhomogeneous structures of low-density nuclear matter consisting not only of spherical nuclei but also of nuclear "pasta", i.e., rod-like and slab-like nuclei. We show that pasta phases can appear in the ground and equilibrium states of nuclear matter without assuming nuclear shape. Next, we show our simulation of compression of nuclear matter which corresponds to the collapsing stage of supernovae. With the increase in density, a crystalline solid of spherical nuclei changes to a triangular lattice of rods by connecting neighboring nuclei. Finally, we discuss fragment formation in expanding nuclear matter. Our results suggest that a generally accepted scenario based on the liquid-gas phase transition is not plausible at lower temperatures.

Computational and Experimental Investigation of Interfacial Area in Near-Field Diesel Spray Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pandal, Adrian; Pastor, Jose M.; Payri, Raul

The dense spray region in the near-field of diesel fuel injection remains an enigma. This region is difficult to interrogate with light in the visible range and difficult to model due to the rapid interaction between liquid and gas. In particular, modeling strategies that rely on Lagrangian particle tracking of droplets have struggled in this area. To better represent the strong interaction between phases, Eulerian modeling has proven particularly useful. Models built on the concept of surface area density are advantageous where primary and secondary atomization have not yet produced droplets, but rather form more complicated liquid structures. Surface areamore » density, a more general concept than Lagrangian droplets, naturally represents liquid structures, no matter how complex. These surface area density models, however, have not been directly experimentally validated in the past due to the inability of optical methods to elucidate such a quantity. Optical diagnostics traditionally measure near-spherical droplet size far downstream, where the spray is optically thin. Using ultra-small-angle x-ray scattering (USAXS) measurements to measure the surface area and x-ray radiography to measure the density, we have been able to test one of the more speculative parts of Eulerian spray modeling. In conclusion, the modeling and experimental results have been combined to provide insight into near-field spray dynamics.« less

Computational and Experimental Investigation of Interfacial Area in Near-Field Diesel Spray Simulation

DOE PAGES

Pandal, Adrian; Pastor, Jose M.; Payri, Raul; ...

2017-03-28

The dense spray region in the near-field of diesel fuel injection remains an enigma. This region is difficult to interrogate with light in the visible range and difficult to model due to the rapid interaction between liquid and gas. In particular, modeling strategies that rely on Lagrangian particle tracking of droplets have struggled in this area. To better represent the strong interaction between phases, Eulerian modeling has proven particularly useful. Models built on the concept of surface area density are advantageous where primary and secondary atomization have not yet produced droplets, but rather form more complicated liquid structures. Surface areamore » density, a more general concept than Lagrangian droplets, naturally represents liquid structures, no matter how complex. These surface area density models, however, have not been directly experimentally validated in the past due to the inability of optical methods to elucidate such a quantity. Optical diagnostics traditionally measure near-spherical droplet size far downstream, where the spray is optically thin. Using ultra-small-angle x-ray scattering (USAXS) measurements to measure the surface area and x-ray radiography to measure the density, we have been able to test one of the more speculative parts of Eulerian spray modeling. In conclusion, the modeling and experimental results have been combined to provide insight into near-field spray dynamics.« less

Investigation of Processes Controlling Elution of Solutes from Nonaqueous Phase Liquid (NAPL) Pools into Groundwater

NASA Astrophysics Data System (ADS)

Seyedabbasi, M.; Pirestani, K.; Holland, S. B.; Imhoff, P. T.

2005-12-01

Two major processes influencing the elution of solutes from porous media contaminated with nonaqueous phase liquids (NAPLs) are external mass transfer between the NAPL and groundwater and internal diffusion through NAPL ganglia and pools. There is a relatively large body of literature on the dissolution of single-species NAPLs. Less is known about the rates of elution of compounds dissolving from multicomponent NAPLs. We examined the mass transfer of one solute, 2,3-dimethyl-2-butanol (DMB) - a partitioning tracer, between groundwater and a dense NAPL - trichloroethylene (TCE). Diffusion cell experiments were used to measure the molecular diffusion coefficient of DMB in pure TCE and in porous media contaminated with a TCE pool. Measured diffusion coefficients were compared with empirical correlations (pure TCE) and a parallel resistance model (TCE pool). Based on the results from these analyses, a dimensionless Biot number was derived to express the ratio of the external rate of mass transfer from a NAPL pool to the internal rate of diffusion within the pool, which varies with NAPL saturation and NAPL-water partition coefficient. Biot numbers were then estimated for several laboratory scale experiments involving DMB transport between NAPL pools and groundwater. The estimated Biot numbers were in good agreement with experimental results. The expression for the Biot number developed here may be used to assess the processes controlling the elution of solutes from NAPL pools, which has implications on long-term predictions of solute dissolution from NAPLs in the field.

Droplet formation and scaling in dense suspensions

PubMed Central

Miskin, Marc Z.; Jaeger, Heinrich M.

2012-01-01

When a dense suspension is squeezed from a nozzle, droplet detachment can occur similar to that of pure liquids. While in pure liquids the process of droplet detachment is well characterized through self-similar profiles and known scaling laws, we show here the simple presence of particles causes suspensions to break up in a new fashion. Using high-speed imaging, we find that detachment of a suspension drop is described by a power law; specifically we find the neck minimum radius, rm, scales like near breakup at time τ = 0. We demonstrate data collapse in a variety of particle/liquid combinations, packing fractions, solvent viscosities, and initial conditions. We argue that this scaling is a consequence of particles deforming the neck surface, thereby creating a pressure that is balanced by inertia, and show how it emerges from topological constraints that relate particle configurations with macroscopic Gaussian curvature. This new type of scaling, uniquely enforced by geometry and regulated by the particles, displays memory of its initial conditions, fails to be self-similar, and has implications for the pressure given at generic suspension interfaces. PMID:22392979

The physics of aerobreakup. IV. Strain-thickening liquids

NASA Astrophysics Data System (ADS)

Mitkin, V. V.; Theofanous, T. G.

2017-12-01

We extend our previous work on aerobreakup of Newtonian and viscoelastic-liquid drops to liquids of dense nanoparticle suspensions with strain-thickening rheology. As in the previous work, the scope includes the full range of aerodynamics, from near-incompressible to supersonic flows, covering all regimes of aerobreakup and employing laser-induced-fluorescence visualizations with μs/μm resolutions. The key physics of Rayleigh-Taylor piercing (1st criticality), Shear-Induced Entrainment (SIE, 2nd criticality), and Kelvin-Helmholtz SIE (3rd criticality) are verified and quantified on the same scaling/theoretical approach as in our previous work but with modifications that account for the rheology of these liquids.

Preparation Of Strong, Dense Potassium Beta''-Alumina Ceramic

NASA Technical Reports Server (NTRS)

Williams, Roger M.; Jeffries-Nakamura, Barbara; Ryan, Margaret A.; O'Connor, Dennis E.; Kisor, Adam; Kikkert, Stanley J.; Losey, Robert; Suitor, Jerry W.

1995-01-01

Improved process for making mechanically strong, dense, phase-pure potassium beta''-alumina solid electrolyte (K-BASE) results in material superior to all previous K-BASE preparations and similar to commercial Na-BASE in strength, phase purity and high-temperature ionic conductivity. Potassium-based alkali-metal thermal-to-electric conversion (AMTEC) cells expected to operate efficiently at lower heat-input temperatures and lower rejection temperatures than sodium-based AMTEC cells, making them appropriate for somewhat different applications.

Electronic structure of dense Pb overlayers on Si(111) investigated using angle-resolved photoemission

NASA Astrophysics Data System (ADS)

Choi, W. H.; Koh, H.; Rotenberg, E.; Yeom, H. W.

2007-02-01

Dense Pb overlayers on Si(111) are important as the wetting layer for anomalous Pb island growth as well as for their own complex “devil’s-staircase” phases. The electronic structures of dense Pb overlayers on Si(111) were investigated in detail by angle-resolved photoemission. Among the series of ordered phases found recently above one monolayer, the low-coverage 7×3 and the high-coverage 14×3 phases are studied; they are well ordered and form reproducibly in large areas. The band dispersions and Fermi surfaces of the two-dimensional (2D) electronic states of these overlayers are mapped out. A number of metallic surface-state bands are identified for both phases with complex Fermi contours. The basic features of the observed Fermi contours can be explained by overlapping 2D free-electron-like Fermi circles. This analysis reveals that the 2D electrons near the Fermi level of the 7×3 and 14×3 phases are mainly governed by strong 1×1 and 3×3 potentials, respectively. The origins of the 2D electronic states and their apparent Fermi surface shapes are discussed based on recent structure models.

Tube Radial Distribution Flow Separation in a Microchannel Using an Ionic Liquid Aqueous Two-Phase System Based on Phase Separation Multi-Phase Flow.

PubMed

Nagatani, Kosuke; Shihata, Yoshinori; Matsushita, Takahiro; Tsukagoshi, Kazuhiko

2016-01-01

Ionic liquid aqueous two-phase systems were delivered into a capillary tube to achieve tube radial distribution flow (TRDF) or annular flow in a microspace. The phase diagram, viscosity of the phases, and TRDF image of the 1-butyl-3-methylimidazolium chloride and NaOH system were examined. The TRDF was formed with inner ionic liquid-rich and outer ionic liquid-poor phases in the capillary tube. The phase configuration was explained using the viscous dissipation principle. We also examined the distribution of rhodamine B in a three-branched microchannel on a microchip with ionic liquid aqueous two-phase systems for the first time.

LIQUID-LIQUID EXTRACTION COLUMNS

DOEpatents

Thornton, J.D.

1957-12-31

This patent relates to liquid-liquid extraction columns having a means for pulsing the liquid in the column to give it an oscillatory up and down movement, and consists of a packed column, an inlet pipe for the dispersed liquid phase and an outlet pipe for the continuous liquid phase located in the direct communication with the liquid in the lower part of said column, an inlet pipe for the continuous liquid phase and an outlet pipe for the dispersed liquid phase located in direct communication with the liquid in the upper part of said column, a tube having one end communicating with liquid in the lower part of said column and having its upper end located above the level of said outlet pipe for the dispersed phase, and a piston and cylinder connected to the upper end of said tube for applying a pulsating pneumatic pressure to the surface of the liquid in said tube so that said surface rises and falls in said tube.

Methods to control phase inversions and enhance mass transfer in liquid-liquid dispersions

DOEpatents

Tsouris, Constantinos; Dong, Junhang

2002-01-01

The present invention is directed to the effects of applied electric fields on liquid-liquid dispersions. In general, the present invention is directed to the control of phase inversions in liquid-liquid dispersions. Because of polarization and deformation effects, coalescence of aqueous drops is facilitated by the application of electric fields. As a result, with an increase in the applied voltage, the ambivalence region is narrowed and shifted toward higher volume fractions of the dispersed phase. This permits the invention to be used to ensure that the aqueous phase remains continuous, even at a high volume fraction of the organic phase. Additionally, the volume fraction of the organic phase may be increased without causing phase inversion, and may be used to correct a phase inversion which has already occurred. Finally, the invention may be used to enhance mass transfer rates from one phase to another through the use of phase inversions.

Non-conventional solvents in liquid phase microextraction and aqueous biphasic systems.

PubMed

An, Jiwoo; Trujillo-Rodríguez, María J; Pino, Verónica; Anderson, Jared L

2017-06-02

The development of rapid, convenient, and high throughput sample preparation approaches such as liquid phase microextraction techniques have been continuously developed over the last decade. More recently, significant attention has been given to the replacement of conventional organic solvents used in liquid phase microextraction techniques in order to reduce toxic waste and to improve selectivity and/or extraction efficiency. With these objectives, non-conventional solvents have been explored in liquid phase microextraction and aqueous biphasic systems. The utilized non-conventional solvents include ionic liquids, magnetic ionic liquids, and deep eutectic solvents. They have been widely used as extraction solvents or additives in various liquid phase microextraction modes including dispersive liquid-liquid microextraction, single-drop microextraction, hollow fiber-liquid phase microextraction, as well as in aqueous biphasic systems. This review provides an overview into the use of non-conventional solvents in these microextraction techniques in the past 5 years (2012-2016). Analytical applications of the techniques are also discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Geobarometry of ultramafic xenoliths from Loihi Seamount, Hawaii, on the basis of CO2 inclusions in olivine

USGS Publications Warehouse

Roedder, E.

1983-01-01

Abundant fluid inclusions in olivine of dunite xenoliths (???1-3 cm) in basalt dredged from the young Loihi Seamount, 30 km southeast of Hawaii, are evidence for three coexisting immiscible fluid phases-silicate melt (now glass), sulfide melt (now solid), and dense supercritical CO2 (now liquid + gas)-during growth and later fracturing of some of these olivine crystals. Some olivine xenocrysts, probably from disaggregation of xenoliths, contain similar inclusions. Most of the inclusions (2-10 ??m) are on secondary planes, trapped during healing of fractures after the original crystal growth. Some such planes end abruptly within single crystals and are termed pseudosecondary, because they formed during the growth of the host olivine crystals. The "vapor" bubble in a few large (20-60 ??m), isolated, and hence primary, silicate melt inclusions is too large to be the result of simple differential shrinkage. Under correct viewing conditions, these bubbles are seen to consist of CO2 liquid and gas, with an aggregate ??{variant} = ??? 0.5-0.75 g cm-3, and represent trapped globules of dense supercritical CO2 (i.e., incipient "vesiculation" at depth). Some spinel crystals enclosed within olivine have attached CO2 blebs. Spherical sulfide blebs having widely variable volume ratios to CO2 and silicate glass are found in both primary and pseudosecondary inclusions, demonstrating that an immiscible sulfide melt was also present. Assuming olivine growth at ??? 1200??C and hydrostatic pressure from a liquid lava column, extrapolation of CO2 P-V-T data indicates that the primary inclusions were trapped at ??? 220-470 MPa (2200-4700 bars), or ??? 8-17 km depth in basalt magma of ??{variant} = 2.7 g cm-3. Because the temperature cannot change much during the rise to eruption, the range of CO2 densities reveals the change in pressure from that during original olivine growth to later deformation and rise to eruption on the sea floor. The presence of numerous decrepitated inclusions indicates that the inclusion sample studied is biased by the loss of higher-density inclusions and suggests that some part of these olivine xenoliths formed at greater depths. ?? 1983.

Phenomenological model and phase behavior of saturated and unsaturated lipids and cholesterol.

PubMed

Putzel, G Garbès; Schick, M

2008-11-15

We present a phenomenological theory for the phase behavior of ternary mixtures of cholesterol and saturated and unsaturated lipids, one that describes both liquid and gel phases. It leads to the following description of the mechanism of the phase behavior: In a binary system of the lipids, phase separation occurs when the saturated chains are well ordered, as in the gel phase, simply due to packing effects. In the liquid phase, the saturated ones are not sufficiently well ordered for separation to occur. The addition of cholesterol, however, increases the saturated lipid order to the point that phase separation is once again favorable. Our theory addresses this last mechanism-the means by which cholesterol-mediated ordering of membrane lipids leads to liquid-liquid immiscibility. It produces, for the system above the main chain transition of the saturated lipid, phase diagrams in which there can be liquid-liquid phase separation in the ternary system but not in any of the binary ones, while below that temperature it yields the more common phase diagram in which a gel phase, rich in saturated lipid, appears in addition to the two liquid phases.

The simulation and experimental validation on gas-solid two phase flow in the riser of a dense fluidized bed

NASA Astrophysics Data System (ADS)

Wang, Xue-Yao; Jiang, Fan; Xu, Xiang; Wang, Sheng-Dian; Fan, Bao-Guo; Xiao, Yun-Han

2009-06-01

Gas-solid flow in dense CFB (circulating fluidized bed)) riser under the operating condition, superficial gas 15.5 m/s and solid flux 140 kg/m2s using Geldart B particles (sand) was investigated by experiments and CFD (computational fluid dynamics) simulation. The overall and local flow characteristics are determined using the axial pressure profiles and solid concentration profiles. The cold experimental results indicate that the axial solid concentration distribution contains a dilute region towards the up-middle zone and a dense region near the bottom and the top exit zones. The typical core-annulus structure and the back-mixing phenomenon near the wall of the riser can be observed. In addition, owing to the key role of the drag force of gas-solid phase, a revised drag force coefficient, based on the EMMS (energy-minimization multi-scale) model which can depict the heterogeneous character of gas-solid two phase flow, was proposed and coupled into the CFD control equations. In order to find an appropriate drag force model for the simulation of dense CFB riser, not only the revised drag force model but some other kinds of drag force model were used in the CFD. The flow structure, solid concentration, clusters phenomenon, fluctuation of two phases and axial pressure drop were analyzed. By comparing the experiment with the simulation, the results predicted by the EMMS drag model showed a better agreement with the experimental axial average pressure drop and apparent solid volume fraction, which proves that the revised drag force based on the EMMS model is an appropriate model for the dense CFB simulation.

OT2_dlis_3: Ammonia as a Tracer of the Earliest Stages of Star Formation

NASA Astrophysics Data System (ADS)

Lis, D.

2011-09-01

Stars form in molecular cloud cores, cold and dense regions enshrouded by dust. The initiation of this process is among the least understood steps of star formation. High!resolution heterodyne spectroscopy provides invaluable information about the physical conditions (density, temperature), kinematics (infall, outflows), and chemistry of these regions. Classical molecular tracers, such CO, CS, and many other abundant gas!phase species, have been shown to freeze out onto dust grain mantles in pre!stellar cores. However, N!bearing species, in particular ammonia, are much less affected by depletion and are observed to stay in the gas phase at densities in excess of 1e6 cm!3. The molecular freeze!out has important consequences for the chemistry of dense gas. In particular, the depletion of abundant gas!phase species with heavy atoms drives up abundances of deuterated H3+ isotopologues, which in turn results in spectacular deuteration levels of molecules that do remain in the gas phase. Consequently, lines of deuterated N!bearing species, in particular the fundamental lines of ammonia isotopologues, having very high critical densities, are optimum tracers of innermost regions of dense cores. We propose to study the morphology, density structure and kinematics of cold and dense cloud cores, by mapping the spatial distribution of ammonia isotopologues in isolated dense pre!stellar cores using Herschel/HIFI. These observations provide optimum probes of the onset of star formation, as well as the physical processes that control gas!grain interaction, freeze!out, mantle ejection and deuteration. The sensitive, high!resolution spectra acquired within this program will be analyzed using sophisticated radiative transfer models and compared with outputs of state!of!the!art 3D MHD simulations and chemical models developed by the members of our team.

Dense baryon matter with isospin and chiral imbalance in the framework of a NJL4 model at large Nc: Duality between chiral symmetry breaking and charged pion condensation

NASA Astrophysics Data System (ADS)

Khunjua, T. G.; Klimenko, K. G.; Zhokhov, R. N.

2018-03-01

In this paper the phase structure of dense quark matter has been investigated at zero temperature in the presence of baryon, isospin and chiral isospin chemical potentials in the framework of massless (3 +1 )-dimensional Nambu-Jona-Lasinio model with two quark flavors. It has been shown that in the large-Nc limit (Nc is the number of colors of quarks) there exists a duality correspondence between the chiral symmetry breaking phase and the charged pion condensation one. The key conclusion of our studies is the fact that chiral isospin chemical potential generates charged pion condensation in dense quark matter with isotopic asymmetry.

Lateral movements in Rayleigh-Taylor instabilities due to frontiers. Experimental study

NASA Astrophysics Data System (ADS)

Binda, L.; Fernández, D.; El Hasi, C.; Zalts, A.; D'Onofrio, A.

2018-01-01

Lateral movements of the fingers in Rayleigh-Taylor hydrodynamic instabilities at the interface between two fluids are studied. We show that transverse movements appear when a physical boundary is present; these phenomena have not been explained until now. The boundary prevents one of the fluids from crossing it. Such frontiers can be buoyancy driven as, for example, the frontier to the passage of a less dense solution through a denser solution or when different aggregation states coexist (liquid and gaseous phases). An experimental study of the lateral movement velocity of the fingers was performed for different Rayleigh numbers (Ra), and when oscillations were detected, their amplitudes were studied. Liquid-liquid (L-L) and gas-liquid (G-L) systems were analysed. Aqueous HCl and Bromocresol Green (sodium salt, NaBCG) solutions were used in L-L experiments, and CO2 (gas) and aqueous NaOH, NaHCO3, and CaCl2 solutions were employed for the G-L studies. We observed that the lateral movement of the fingers and finger collapses near the interface are more notorious when Ra increases. The consequences of this, for each experience, are a decrease in the number of fingers and an increase in the velocity of the lateral finger movement close to the interface as time evolves. We found that the amplitude of the oscillations did not vary significantly within the considered Ra range. These results have an important implication when determining the wave number of instabilities in an evolving system. The wave number could be strongly diminished if there is a boundary.

Spectro-microscopic Characterization of Physical Properties and Phase Separations in Individual Atmospheric Particles

NASA Astrophysics Data System (ADS)

OBrien, R. E.; Wang, B.; Neu, A.; Kelly, S. T.; Lundt, N.; Epstein, S. A.; MacMillan, A.; You, Y.; Laskin, A.; Nizkorodov, S.; Bertram, A. K.; Moffet, R.; Gilles, M.

2013-12-01

The phase state and liquid-liquid phase separations of ambient and laboratory generated aerosol particles were investigated using (1) scanning transmission x-ray microscopy/near-edge x-ray absorption fine structure spectroscopy (STXM/NEXAFS) coupled to a relative humidity (RH) controlled in-situ chamber and (2) environmental scanning electron microscopy (ESEM). The phase states of the particles were determined from measurements of their size and optical density. A comparison is made between the observed phase states of ambient samples and of laboratory generated aerosols to determine how well laboratory samples represent the phase of ambient samples. In addition, liquid-liquid phase separations in laboratory generated particles were investigated. Preliminary results showing that liquid-liquid phase separations occur at RH's between the deliquescence and efflorescence points and that the organic phase surrounds the inorganic phase will be presented. The STXM/NEXAFS technique provides insight into the degree of mixing at the deliquescence point and the degree of phase separation for particles of atmospherically relevant sizes.

Evaluation of deicer applications on open graded pavements : final report.

DOT National Transportation Integrated Search

2006-04-01

The Oregon Department of Transportation (ODOT) winter maintenance practices include plowing, sanding, and applying winter anti-icing/deicing liquids. These activities are performed on dense-graded as well as open-graded pavements. During the winters ...

Ionic Liquid Fuels for Chemical Propulsion

DTIC Science & Technology

2016-10-31

nucleophilicity in the ionic liquid is critical. Both gas -phase and condensed-phase (CPCM-GIL) density functional theory calculations support the...stability trends in dialkylimidazolium ionic liquids and could be used as a higher accuracy method than the gas -phase DFT approach for predicting thermal...stabilities of ionic liquids in general. One important finding from the comparison of the gas -phase basicities relative to the GIL condensed- phase

Communication: Hypothetical ultralow-density ice polymorphs

NASA Astrophysics Data System (ADS)

Matsui, Takahiro; Hirata, Masanori; Yagasaki, Takuma; Matsumoto, Masakazu; Tanaka, Hideki

2017-09-01

More than 300 kinds of porous ice structures derived from zeolite frameworks and space fullerenes are examined using classical molecular dynamics simulations. It is found that a hypothetical zeolitic ice phase is less dense and more stable than the sparse ice structures reported by Huang et al. [Chem. Phys. Lett. 671, 186 (2017)]. In association with the zeolitic ice structure, even less dense structures, "aeroices," are proposed. It is found that aeroices are the most stable solid phases of water near the absolute zero temperature under negative pressure.

Optical and transport properties of dense liquid silica

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qi, Tingting; Millot, Marius; Kraus, Richard G.

2015-06-15

Using density-functional-theory based molecular dynamics and the Kubo-Greenwood linear response theory, we evaluated the high-pressure equation of state and the optical and transport properties of quartz and fused silica shock-compressed to 2000 GPa. The computed Hugoniots and corresponding optical reflectivity values are in very good agreement with published data for quartz, and new data that we obtained on fused silica using magnetically launched flyer plate experiments. The rise of optical reflectivity upon shock compression appears to be primarily a temperature-driven mechanism, which is relatively insensitive to small density variation. We observed that the electrical conductivity does not display Drude-like frequencymore » dependence, especially at lower temperatures. In addition, the Wiedemann-Franz relation between electrical and thermal conductivities was found to be invalid. It suggests that even at three-fold compression, warm dense liquid silica on the Hugoniot curve is still far away from the degenerate limit.« less

Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR.

PubMed

Zhao, Binwu; Lindeboom, Tom; Benner, Steven; Jackson, George; Galindo, Amparo; Hall, Carol K

2017-10-24

The statistical associating fluid theory for potentials of variable range (SAFT-VR) is used to predict the fluid phase behavior of elastin-like polypeptide (ELP) sequences in aqueous solution with special focus on the loci of lower critical solution temperatures (LCSTs). A SAFT-VR model for these solutions is developed following a coarse-graining approach combining information from atomistic simulations and from previous SAFT models for previously reported relevant systems. Constant-pressure temperature-composition phase diagrams are determined for solutions of (VPGVG) n sequences + water with n = 1 to 300. The SAFT-VR equation of state lends itself to the straightforward calculation of phase boundaries so that complete fluid-phase equilibria can be calculated efficiently. A broad range of thermodynamic conditions of temperature and pressure are considered, and regions of vapor-liquid and liquid-liquid coexistence, including LCSTs, are found. The calculated phase boundaries at low concentrations match those measured experimentally. The temperature-composition phase diagrams of the aqueous ELP solutions at low pressure (0.1 MPa) are similar to those of types V and VI phase behavior in the classification of Scott and van Konynenburg. An analysis of the high-pressure phase behavior confirms, however, that a closed-loop liquid-liquid immiscibility region, separate from the gas-liquid envelope, is present for aqueous solutions of (VPGVG) 30 ; such a phase diagram is typical of type VI phase behavior. ELPs with shorter lengths exhibit both liquid-liquid and gas-liquid regions, both of which become less extensive as the chain length of the ELP is decreased. The strength of the hydrogen-bonding interaction is also found to affect the phase diagram of the (VPGVG) 30 system in that the liquid-liquid and gas-liquid regions expand as the hydrogen-bonding strength is decreased and shrink as it is increased. The LCSTs of the mixtures are seen to decrease as the ELP chain length is increased.

Dramatically different kinetics and mechanism at solid/liquid and solid/gas interfaces for catalytic isopropanol oxidation over size-controlled platinum nanoparticles.

PubMed

Wang, Hailiang; Sapi, Andras; Thompson, Christopher M; Liu, Fudong; Zherebetskyy, Danylo; Krier, James M; Carl, Lindsay M; Cai, Xiaojun; Wang, Lin-Wang; Somorjai, Gabor A

2014-07-23

We synthesize platinum nanoparticles with controlled average sizes of 2, 4, 6, and 8 nm and use them as model catalysts to study isopropanol oxidation to acetone in both the liquid and gas phases at 60 °C. The reaction at the solid/liquid interface is 2 orders of magnitude slower than that at the solid/gas interface, while catalytic activity increases with the size of platinum nanoparticles for both the liquid-phase and gas-phase reactions. The activation energy of the gas-phase reaction decreases with the platinum nanoparticle size and is in general much higher than that of the liquid-phase reaction which is largely insensitive to the size of catalyst nanoparticles. Water substantially promotes isopropanol oxidation in the liquid phase. However, it inhibits the reaction in the gas phase. The kinetic results suggest different mechanisms between the liquid-phase and gas-phase reactions, correlating well with different orientations of IPA species at the solid/liquid interface vs the solid/gas interface as probed by sum frequency generation vibrational spectroscopy under reaction conditions and simulated by computational calculations.

Time dependent chemistry in dense molecular clouds. I - Grain surface reactions, gas/grain interactions and infrared spectroscopy

NASA Technical Reports Server (NTRS)

Dhendecourt, L. B.; Allamandola, L. J.; Greenberg, J. M.

1985-01-01

For the fist time, a time-dependent model is described which includes the role of grains in the production of molecules in dense clouds including ion-molecule gas phase chemistry. The approach provides information regarding the coupling between the two phases. Although the coupling between the two chemistries is extremely strong, the two domains maintain their own identities. While H2O, CH4, and NH3 are made efficiently, with a high production rate on grains and released back to the gas phase, the gas phase is essentially responsible for the formation of CO, a very stable molecule which may or may not react on grains with atomic oxygen and may or may not form CO2.

Bioenhanced dissolution of dense non-aqueous phase of trichloroethylene as affected by iron reducing conditions: model systems and environmental samples.

PubMed

Paul, Laiby; Smolders, Erik

2015-01-01

The anaerobic biotransformation of trichloroethylene (TCE) can be affected by competing electron acceptors such as Fe (III). This study assessed the role of Fe (III) reduction on the bioenhanced dissolution of TCE dense non-aqueous phase liquid (DNAPL). Columns were set up as 1-D diffusion cells consisting of a lower DNAPL layer, a layer with an aquifer substratum and an upper water layer that is regularly refreshed. The substrata used were either inert sand or sand coated with 2-line ferrihydrite (HFO) or two environmental Fe (III) containing samples. The columns were inoculated with KB-1 and were repeatedly fed with formate. In none of the diffusion cells, vinyl chloride or ethene was detected while dissolved and extractable Fe (II) increased strongly during 60 d of incubation. The cis-DCE concentration peaked at 4.0 cm from the DNAPL (inert sand) while it was at 3.4 cm (sand+HFO), 1.7 cm and 2.5 cm (environmental samples). The TCE concentration gradients near the DNAPL indicate that the DNAPL dissolution rate was larger than that in an abiotic cell by factors 1.3 (inert sand), 1.0 (sand+HFO) and 2.2 (both environmental samples). This results show that high bioavailable Fe (III) in HFO reduces the TCE degradation by competitive Fe (III) reduction, yielding lower bioenhanced dissolution. However, Fe (III) reduction in environmental samples was not reducing TCE degradation and the dissolution factor was even larger than that of inert sand. It is speculated that physical factors, e.g. micro-niches in the environmental samples protect microorganisms from toxic concentrations of TCE. Copyright © 2014 Elsevier Ltd. All rights reserved.

Dense Deposit Disease Mimicking a Renal Small Vessel Vasculitis

PubMed Central

Singh, Lavleen; Bhardwaj, Swati; Sinha, Aditi; Bagga, Arvind; Dinda, Amit

2016-01-01

Dense deposit disease is caused by fluid-phase dysregulation of the alternative complement pathway and frequently deviates from the classic membranoproliferative pattern of injury on light microscopy. Other patterns of injury described for dense deposit disease include mesangioproliferative, acute proliferative/exudative, and crescentic GN. Regardless of the histologic pattern, C3 glomerulopathy, which includes dense deposit disease and C3 GN, is defined by immunofluorescence intensity of C3c two or more orders of magnitude greater than any other immune reactant (on a 0–3 scale). Ultrastructural appearances distinguish dense deposit disease and C3 GN. Focal and segmental necrotizing glomerular lesions with crescents, mimicking a small vessel vasculitis such as ANCA-associated GN, are a very rare manifestation of dense deposit disease. We describe our experience with this unusual histologic presentation and distinct clinical course of dense deposit disease, discuss the pitfalls in diagnosis, examine differential diagnoses, and review the relevant literature. PMID:26361799

Investigating the scale of structural controls on chlorinated hydrocarbon distributions in the fractured-porous unsaturated zone of a sandstone aquifer in the UK

NASA Astrophysics Data System (ADS)

Lawrence, Adrian; Stuart, Marianne; Cheney, Colin; Jones, Neil; Moss, Richard

2006-12-01

Contaminant migration behaviour in the unsaturated zone of a fractured porous aquifer is discussed in the context of a study site in Cheshire, UK. The site is situated on gently dipping sandstones, adjacent to a linear lagoon historically used to dispose of industrial wastes containing chlorinated solvents. Two cores of more than 100 m length were recovered and measurements of chlorinated hydrocarbons (CHCs), inorganic chemistry, lithology, fracturing and aquifer properties were made. The results show that selecting an appropriate vertical sampling density is crucial both to providing an understanding of contaminant pathways and distinguishing whether CHCs are present in the aqueous or non-aqueous phase. The spacing of such sampling should be on a similar scale to the heterogeneity that controls water and contaminant movement. For some sections of the Permo-Triassic aquifer, significant changes in lithology and permeability occur over vertical distances of less than 1 m and samples need to be collected at this interval, otherwise considerable resolution is lost, potentially leading to erroneous interpretation of data. At this site, although CHC concentrations were high, the consistent ratio of the two main components of the plume (tetrachloroethene and trichloroethene) provided evidence of movement in the aqueous phase rather than in dense non-aqueous phase liquid (DNAPL).

Diffusion Of Mass In Evaporating Multicomponent Drops

NASA Technical Reports Server (NTRS)

Bellan, Josette; Harstad, Kenneth G.

1992-01-01

Report summarizes study of diffusion of mass and related phenomena occurring in evaporation of dense and dilute clusters of drops of multicomponent liquids intended to represent fuels as oil, kerosene, and gasoline. Cluster represented by simplified mathematical model, including global conservation equations for entire cluster and conditions on boundary between cluster and ambient gas. Differential equations of model integrated numerically. One of series of reports by same authors discussing evaporation and combustion of sprayed liquid fuels.

Development of a Very Dense Liquid Cooled Compute Platform

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hughes, Phillip N.; Lipp, Robert J.

2013-12-10

The objective of this project was to design and develop a prototype very energy efficient high density compute platform with 100% pumped refrigerant liquid cooling using commodity components and high volume manufacturing techniques. Testing at SLAC has indicated that we achieved a DCIE of 0.93 against our original goal of 0.85. This number includes both cooling and power supply and was achieved employing some of the highest wattage processors available.

Computational Modeling of Supercritical and Transcritical Flows

DTIC Science & Technology

2017-01-09

Acentric factor I. Introduction Liquid rocket and gas turbine engines operate at high pressures. For gas turbines, the combustor pressurecan be 60 − 100...an approach the liquid gas interface is tracked.4 We note that an overwhelming majority of the computational studies have similarly focused on purely...A standard approach for supercritical flows is to treat the multicomponent mixture of species as a dense fluid using a real gas equation of state such

Water-wetting surfaces as hydrate promoters during transport of carbon dioxide with impurities.

PubMed

Kuznetsova, Tatiana; Jensen, Bjørnar; Kvamme, Bjørn; Sjøblom, Sara

2015-05-21

Water condensing as liquid drops within the fluid bulk has traditionally been the only scenario accepted in the industrial analysis of hydrate risks. We have applied a combination of absolute thermodynamics and molecular dynamics modeling to analyze the five primary routes of hydrate formation in a rusty pipeline carrying dense carbon dioxide with methane, hydrogen sulfide, argon, and nitrogen as additional impurities. We have revised the risk analysis of all possible routes in accordance with the combination of the first and the second laws of thermodynamics to determine the highest permissible content of water. It was found that at concentrations lower than five percent, hydrogen sulfide will only support the formation of carbon dioxide-dominated hydrate from adsorbed water and hydrate formers from carbon dioxide phase rather than formation in the aqueous phase. Our results indicate that hydrogen sulfide leaving carbon dioxide for the aqueous phase will be able to create an additional hydrate phase in the aqueous region adjacent to the first adsorbed water layer. The growth of hydrate from different phases will decrease the induction time by substantially reducing the kinetically limiting mass transport across the hydrate films. Hydrate formation via adsorption of water on rusty walls will play the decisive role in hydrate formation risk, with the initial concentration of hydrogen sulfide being the critical factor. We concluded that the safest way to eliminate hydrate risks is to ensure that the water content of carbon dioxide is low enough to prevent water dropout via the adsorption mechanism.

Incorporation of ionic liquid into porous polymer monoliths to enhance the separation of small molecules in reversed-phase high-performance liquid chromatography.

PubMed

Wang, Jiafei; Bai, Ligai; Wei, Zhen; Qin, Junxiao; Ma, Yamin; Liu, Haiyan

2015-06-01

An ionic liquid was incorporated into the porous polymer monoliths to afford stationary phases with enhanced chromatographic performance for small molecules in reversed-phase high-performance liquid chromatography. The effect of the ionic liquid in the polymerization mixture on the performance of the monoliths was studied in detail. While monoliths without ionic liquid exhibited poor resolution and low efficiency, the addition of ionic liquid to the polymerization mixture provides highly increased resolution and high efficiency. The chromatographic performances of the monoliths were demonstrated by the separations of various small molecules including aromatic hydrocarbons, isomers, and homologues using a binary polar mobile phase. The present column efficiency reached 27 000 plates/m, which showed that the ionic liquid monoliths are alternative stationary phases in the separation of small molecules by high-performance liquid chromatography. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Method for removing solid particulate material from within liquid fuel injector assemblies

DOEpatents

Simandl, R.F.; Brown, J.D.; Andriulli, J.B.; Strain, P.D.

1998-09-08

A method is described for removing residual solid particulate material from the interior of liquid fuel injectors and other fluid flow control mechanisms having or being operatively associated with a flow-regulating fixed or variable orifice. The method comprises the sequential and alternate introduction of columns of a non-compressible liquid phase and columns of a compressed gas phase into the body of a fuel injector whereby the expansion of each column of the gas phase across the orifice accelerates the liquid phase in each trailing column of the liquid phase and thereby generates turbulence in each liquid phase for lifting and entraining the solid particulates for the subsequent removal thereof from the body of the fuel injector. 1 fig.

Method for removing solid particulate material from within liquid fuel injector assemblies

DOEpatents

Simandl, Ronald F.; Brown, John D.; Andriulli, John B.; Strain, Paul D.

1998-01-01

A method for removing residual solid particulate material from the interior of liquid fuel injectors and other fluid flow control mechanisms having or being operatively associated with a flow-regulating fixed or variable orifice. The method comprises the sequential and alternate introduction of columns of a non-compressible liquid phase and columns of a compressed gas phase into the body of a fuel injector whereby the expansion of each column of the gas phase across the orifice accelerates the liquid phase in each trailing column of the liquid phase and thereby generates turbulence in each liquid phase for lifting and entraining the solid particulates for the subsequent removal thereof from the body of the fuel injector.

A constitutive law for dense granular flows.

PubMed

Jop, Pierre; Forterre, Yoël; Pouliquen, Olivier

2006-06-08

A continuum description of granular flows would be of considerable help in predicting natural geophysical hazards or in designing industrial processes. However, the constitutive equations for dry granular flows, which govern how the material moves under shear, are still a matter of debate. One difficulty is that grains can behave like a solid (in a sand pile), a liquid (when poured from a silo) or a gas (when strongly agitated). For the two extreme regimes, constitutive equations have been proposed based on kinetic theory for collisional rapid flows, and soil mechanics for slow plastic flows. However, the intermediate dense regime, where the granular material flows like a liquid, still lacks a unified view and has motivated many studies over the past decade. The main characteristics of granular liquids are: a yield criterion (a critical shear stress below which flow is not possible) and a complex dependence on shear rate when flowing. In this sense, granular matter shares similarities with classical visco-plastic fluids such as Bingham fluids. Here we propose a new constitutive relation for dense granular flows, inspired by this analogy and recent numerical and experimental work. We then test our three-dimensional (3D) model through experiments on granular flows on a pile between rough sidewalls, in which a complex 3D flow pattern develops. We show that, without any fitting parameter, the model gives quantitative predictions for the flow shape and velocity profiles. Our results support the idea that a simple visco-plastic approach can quantitatively capture granular flow properties, and could serve as a basic tool for modelling more complex flows in geophysical or industrial applications.

In situ remediation of DNAPL compounds in low permeability media fate/transport, in situ control technologies, and risk reduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1996-08-01

In this project, in situ remediation technologies are being tested and evaluated for both source control and mass removal of dense, non-aqueous phase liquid (DNAPL) compounds in low permeability media (LPM). This effort is focused on chlorinated solvents (e.g., trichloroethylene and perchloroethylene) in the vadose and saturated zones of low permeability, massive deposits, and stratified deposits with inter-bedded clay lenses. The project includes technology evaluation and screening analyses and field-scale testing at both clean and contaminated sites in the US and Canada. Throughout this project, activities have been directed at understanding the processes that influence DNPAL compound migration and treatmentmore » in LPM and to assessing the operation and performance of the remediation technologies developed and tested. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database.« less

Biodegradation of Chlorinated Solvents: Reactions near DNAPL and Enzyme Function

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCarty, Perry L.; Spormann, Alfred M.; Criddle, Craig S.

The anaerobic biodegradation of chlorinated solvents is of great interest both for natural attenuation and for engineered remediation of these hazardous contaminants in groundwater. Compounds to be studied are carbon tetrachloride (CT) and the chlorinated ethenes, tetrachloroethene (PCE), trichloroethene (TCE) cis-1,2-dichloroethene (cDCE), and vinyl chloride (VC). The chlorinated solvents often are present as dense non-aqueous-phase liquids (DNAPLs), which are difficult to remove. Biodegradation of DNAPLs was previously thought not possible because of toxicity, but recent evidence indicates that under the right conditions, biodegradation is possible. Anaerobic biodegradation of DNAPLs is the major subject of this research. The specific objectives ofmore » this multi-investigator effort are: (1) Evaluate the potential for chlorinated solvent biodegradation near DNAPLs, (2) Provide a molecular understanding of the biological mechanisms involved, (3) Determine cellular components involved in carbon tetrachloride transformation by Pseudomonas stutzeri strain KC without chloroform formation.« less

Palladium nanoparticles deposited on silanized halloysite nanotubes: synthesis, characterization and enhanced catalytic property

NASA Astrophysics Data System (ADS)

Zhang, Yi; He, Xi; Ouyang, Jing; Yang, Huaming

2013-10-01

Palladium (Pd) nanoparticles were deposited on the surface of halloysite nanotubes (HNTs) modified with γ-aminopropyltriethoxysilane (APTES) to produce Pd/NH2-HNTs nanocomposites. The results indicated that Pd nanoparticles were densely immobilized onto NH2-HNTs with an average diameter of ~ 3 nm. The Pd distribution on the surface of silanized HNTs showed much more uniform, and the Pd nanoparticle size became smaller compared with those directly deposited onto HNTs without silanization. Systematic characterization demonstrated that APTES were chemically bonded onto HNTs, and further confirmed the bond formation between Pd and -NH2 groups, which could ensure the firm deposit of Pd nanoparticles on the surface of silanized HNTs. The as-synthesized Pd/NH2-HNTs exhibited an excellent catalytic activity in the liquid-phase hydrogenation of styrene to ethylbenzene with full conversion within 30 min. The mechanism of the deposit of Pd nanoparticles on silanized HNTs was also investigated.

Theoretical predictions for the phase stability of dense binary mixtures

NASA Astrophysics Data System (ADS)

Macfarlane, J. J.

1983-08-01

A new approach is developed for evaluating the mixing properties of binary solutions at high pressure. This involves solving Poisson's equation throughout three-dimensional cubic lattices, consistent with Thomas-Fermi-Dirac (TFD) theory. Zero temperature calculations are carried out for a variety of compositions and crystal structures in 3 pressure groups relevant to Jovian planetary interiors. Pseudopotentials based on the two-component-plasma model (with a uniform electron background) are fitted to the solid-state results, and are then used in liquid-state calculations using hard-sphere perturbation theory. TFD results if H-He solutions find critical temperatures (above which all compositions are soluble) to be approx. 0.500, and 1500 K at pressures of 10, 100, and 1000 Mbar, respectively. These temperatures are much lower than those obtained using free electron perturbation theory, where Tcrit approx. 10,000 K at 10 Mbar.

On the role of quantum ion dynamics for the anomalous melting of lithium

NASA Astrophysics Data System (ADS)

Elatresh, Sabri; Bonev, Stanimir

2011-03-01

Lithium has attracted a lot of interest in relation to a number of counterintuitive electronic and structural changes that it exhibits under pressure. One of the most remarkable properties of dense lithium is its anomalous melting. This behavior was first predicted theoretically based on first-principles molecular dynamics (FPMD) simulations, which treated the ions classically. The lowest melting temperature was determined to be about 275~K at 65~GPa. Recent experiments measured a melting temperature about 100~K lower at the same pressure. In this talk, we will present FPMD calculations of solid and liquid lithium free energies up to 100 GPa that take into account ion quantum dynamics. We examine the significance of the quantum effects for the finite-temperature phase boundaries of lithium and, in particular, its melting curve. Work supported by NSERC, Acenet, and LLNL under Contract DE-AC52-07NA27344.

A review of solid-fluid selection options for optical-based measurements in single-phase liquid, two-phase liquid-liquid and multiphase solid-liquid flows

NASA Astrophysics Data System (ADS)

Wright, Stuart F.; Zadrazil, Ivan; Markides, Christos N.

2017-09-01

Experimental techniques based on optical measurement principles have experienced significant growth in recent decades. They are able to provide detailed information with high-spatiotemporal resolution on important scalar (e.g., temperature, concentration, and phase) and vector (e.g., velocity) fields in single-phase or multiphase flows, as well as interfacial characteristics in the latter, which has been instrumental to step-changes in our fundamental understanding of these flows, and the development and validation of advanced models with ever-improving predictive accuracy and reliability. Relevant techniques rely upon well-established optical methods such as direct photography, laser-induced fluorescence, laser Doppler velocimetry/phase Doppler anemometry, particle image/tracking velocimetry, and variants thereof. The accuracy of the resulting data depends on numerous factors including, importantly, the refractive indices of the solids and liquids used. The best results are obtained when the observational materials have closely matched refractive indices, including test-section walls, liquid phases, and any suspended particles. This paper reviews solid-liquid and solid-liquid-liquid refractive-index-matched systems employed in different fields, e.g., multiphase flows, turbomachinery, bio-fluid flows, with an emphasis on liquid-liquid systems. The refractive indices of various aqueous and organic phases found in the literature span the range 1.330-1.620 and 1.251-1.637, respectively, allowing the identification of appropriate combinations to match selected transparent or translucent plastics/polymers, glasses, or custom materials in single-phase liquid or multiphase liquid-liquid flow systems. In addition, the refractive indices of fluids can be further tuned with the use of additives, which also allows for the matching of important flow similarity parameters such as density and viscosity.

Quantitative ionspray liquid chromatographic/tandem mass spectrometric determination of reserpine in equine plasma.

PubMed

Anderson, M A; Wachs, T; Henion, J D

1997-02-01

A method based on ionspray liquid chromatography/tandem mass spectrometry (LC/MS/MS) was developed for the determination of reserpine in equine plasma. A comparison was made of the isolation of reserpine from plasma by liquid-liquid extraction and by solid-phase extraction. A structural analog, rescinnamine, was used as the internal standard. The reconstituted extracts were analyzed by ionspray LC/MS/MS in the selected reaction monitoring (SRM) mode. The calibration graph for reserpine extracted from equine plasma obtained using liquid-liquid extraction was linear from 10 to 5000 pg ml-1 and that using solid-phase extraction from 100 to 5000 pg ml-1. The lower level of quantitation (LLQ) using liquid-liquid and solid-phase extraction was 50 and 200 pg ml-1, respectively. The lower level of detection for reserpine by LC/MS/MS was 10 pg ml-1. The intra-assay accuracy did not exceed 13% for liquid-liquid and 12% for solid-phase extraction. The recoveries for the LLQ were 68% for liquid-liquid and 58% for solid-phase extraction.

Compatibility of Medical-Grade Polymers with Dense CO2

PubMed Central

Jiménez, A; Thompson, G L; Matthews, M A; Davis, T A; Crocker, K; Lyons, J S; Trapotsis, A

2009-01-01

This study reports the effect of exposure to liquid carbon dioxide on the mechanical properties of selected medical polymers. The tensile strengths and moduli of fourteen polymers are reported. Materials were exposed to liquid CO2, or CO2 + trace amounts of aqueous H2O2, at 6.5 MPa and ambient temperature. Carbon dioxide uptake, swelling, and distortion were observed for the more amorphous polymers while polymers with higher crystallinity showed little effect from CO2 exposure. Changes in tensile strength were not statistically significant for most plastics, and most indicated good tolerance to liquid CO2. These results are relevant to evaluating the potential of liquid CO2-based sterilization technology. PMID:19756235

Threshold-based epidemic dynamics in systems with memory

NASA Astrophysics Data System (ADS)

Bodych, Marcin; Ganguly, Niloy; Krueger, Tyll; Mukherjee, Animesh; Siegmund-Schultze, Rainer; Sikdar, Sandipan

2016-11-01

In this article we analyze an epidemic dynamics model (SI) where we assume that there are k susceptible states, that is a node would require multiple (k) contacts before it gets infected. In specific, we provide a theoretical framework for studying diffusion rate in complete graphs and d-regular trees with extensions to dense random graphs. We observe that irrespective of the topology, the diffusion process could be divided into two distinct phases: i) the initial phase, where the diffusion process is slow, followed by ii) the residual phase where the diffusion rate increases manifold. In fact, the initial phase acts as an indicator for the total diffusion time in dense graphs. The most remarkable lesson from this investigation is that such a diffusion process could be controlled and even contained if acted upon within its initial phase.

DEVELOPMENT OF LOW-DIFFUSION FLUX-SPLITTING METHODS FOR DENSE GAS-SOLID FLOWS

EPA Science Inventory

The development of a class of low-diffusion upwinding methods for computing dense gas-solid flows is presented in this work. An artificial compressibility/low-Mach preconditioning strategy is developed for a hyperbolic two-phase flow equation system consisting of separate solids ...

Evaluation of the pathways of tropospheric nitrophenol formation using a multiphase model

NASA Astrophysics Data System (ADS)

Harrison, M. A. J.; Heal, M. R.; Cape, J. N.

2005-03-01

Phenols are a major class of volatile organic compounds (VOC) whose reaction within, and partitioning between, the gas and liquid phases affects their lifetime within the atmosphere, the local oxidising capacity, and the extent of production of nitrophenols, which are toxic chemicals. In this work, a zero-dimension box model was constructed to quantify the relative nitration pathways, and partitioning into the liquid phase, of mono-aromatic compounds in order to help elucidate the formation pathways of 2- and 4-nitrophenol in the troposphere. The liquid phase contributed significantly to the production of nitrophenols for liquid water content (Lc) values exceeding 3×10-9, and for a range of assumed liquid droplet diameter, even though the resultant equilibrium partitioning to the liquid phase was much lower. For example, in a ''typical'' model scenario, with Lc=3×10-7, 58% of nitrophenol production occurred in the liquid phase but only 2% of nitrophenol remained there, i.e. a significant proportion of nitrophenol observed in the gas phase may actually be produced via the liquid phase. The importance of the liquid phase was enhanced at lower temperatures, by a factor ~1.5-2 at 278 K cf. 298 K. The model showed that nitrophenol production was particularly sensitive to the values of the rate coefficients for the liquid phase reactions between phenol and OH or NO3 reactions, but insensitive to the rate coefficient for the reaction between benzene and OH, thus identifying where further experimental data are required.

Self-Assembly through Noncovalent Preorganization of Reactants: Explaining the Formation of a Polyfluoroxometalate.

PubMed

Schreiber, Roy E; Avram, Liat; Neumann, Ronny

2018-01-09

High-order elementary reactions in homogeneous solutions involving more than two molecules are statistically improbable and very slow to proceed. They are not generally considered in classical transition-state or collision theories. Yet, rather selective, high-yield product formation is common in self-assembly processes that require many reaction steps. On the basis of recent observations of crystallization as well as reactions in dense phases, it is shown that self-assembly can occur by preorganization of reactants in a noncovalent supramolecular assembly, whereby directing forces can lead to an apparent one-step transformation of multiple reactants. A simple and general kinetic model for multiple reactant transformation in a dense phase that can account for many-bodied transformations was developed. Furthermore, the self-assembly of polyfluoroxometalate anion [H 2 F 6 NaW 18 O 56 ] 7- from simple tungstate Na 2 WO 2 F 4 was demonstrated by using 2D 19 F- 19 F NOESY, 2D 19 F- 19 F COSY NMR spectroscopy, a new 2D 19 F{ 183 W} NMR technique, as well as ESI-MS and diffusion NMR spectroscopy, and the crucial involvement of a supramolecular assembly was found. The deterministic kinetic reaction model explains the reaction in a dense phase and supports the suggested self-assembly mechanism. Reactions in dense phases may be of general importance in understanding other self-assembly reactions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hard convex lens-shaped particles: Densest-known packings and phase behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cinacchi, Giorgio, E-mail: giorgio.cinacchi@uam.es; Torquato, Salvatore, E-mail: torquato@princeton.edu

2015-12-14

By using theoretical methods and Monte Carlo simulations, this work investigates dense ordered packings and equilibrium phase behavior (from the low-density isotropic fluid regime to the high-density crystalline solid regime) of monodisperse systems of hard convex lens-shaped particles as defined by the volume common to two intersecting congruent spheres. We show that, while the overall similarity of their shape to that of hard oblate ellipsoids is reflected in a qualitatively similar phase diagram, differences are more pronounced in the high-density crystal phase up to the densest-known packings determined here. In contrast to those non-(Bravais)-lattice two-particle basis crystals that are themore » densest-known packings of hard (oblate) ellipsoids, hard convex lens-shaped particles pack more densely in two types of degenerate crystalline structures: (i) non-(Bravais)-lattice two-particle basis body-centered-orthorhombic-like crystals and (ii) (Bravais) lattice monoclinic crystals. By stacking at will, regularly or irregularly, laminae of these two crystals, infinitely degenerate, generally non-periodic in the stacking direction, dense packings can be constructed that are consistent with recent organizing principles. While deferring the assessment of which of these dense ordered structures is thermodynamically stable in the high-density crystalline solid regime, the degeneracy of their densest-known packings strongly suggests that colloidal convex lens-shaped particles could be better glass formers than colloidal spheres because of the additional rotational degrees of freedom.« less

Study of liquid?liquid demixing from drug solution

NASA Astrophysics Data System (ADS)

Lafferrère, Laurent; Hoff, Christian; Veesler, Stéphane

2004-09-01

In pharmaceutical industry, a deep understanding of the phase diagram is required in design of crystallization processes. We have investigated the phase diagram of a pharmaceutical compound (C 35H 41Cl 2N 3O 2) in a mixture of ethanol/water. This phase diagram exhibits a solid-solid (polymorphism) and a liquid-liquid-phase separation (LLPS) as a function of temperature and drug substance concentration. This study focuses on the LLPS which is metastable with respect to the crystallization of the two polymorphs FI and FII of C 35H 41Cl 2N 3O 2 in an ethanol/water mixture. The LLPS is metastable towards the solubility curve on the whole solvent-solute concentrations and temperature range studied. The LLPS occurred within the metastable zone for crystallization. In our experiments the liquid-liquid-phase transition prevented the drug from crystallizing, while it changed the medium and the conditions of crystallization, which consequently affected the process. The coexistence curves for the liquid phases, also named TL-L boundary, and the spinodal line were measured for a ternary mixture of water-drug-ethanol at atmospheric pressure over a temperature range of 10-50°C. This temperature range corresponds to that used in the crystallization process. Static Light Scattering, HPLC measurements and Karl-Fischer titration were applied to investigate the drug-phase diagram. The isoplethe section of the phase diagram exhibits four regions: one homogeneous (one liquid) and three two-phases (two regions with one liquid+one solid and one region with two liquids), the two solids phases being two polymorphs.

Competition between Chaotic and Nonchaotic Phases in a Quadratically Coupled Sachdev-Ye-Kitaev Model.

PubMed

Chen, Xin; Fan, Ruihua; Chen, Yiming; Zhai, Hui; Zhang, Pengfei

2017-11-17

The Sachdev-Ye-Kitaev (SYK) model is a concrete solvable model to study non-Fermi liquid properties, holographic duality, and maximally chaotic behavior. In this work, we consider a generalization of the SYK model that contains two SYK models with a different number of Majorana modes coupled by quadratic terms. This model is also solvable, and the solution shows a zero-temperature quantum phase transition between two non-Fermi liquid chaotic phases. This phase transition is driven by tuning the ratio of two mode numbers, and a nonchaotic Fermi liquid sits at the critical point with an equal number of modes. At a finite temperature, the Fermi liquid phase expands to a finite regime. More intriguingly, a different non-Fermi liquid phase emerges at a finite temperature. We characterize the phase diagram in terms of the spectral function, the Lyapunov exponent, and the entropy. Our results illustrate a concrete example of the quantum phase transition and critical behavior between two non-Fermi liquid phases.

Gas-liquid chromatography with a volatile "stationary" liquid phase.

PubMed

Wells, P S; Zhou, S; Parcher, J F

2002-05-01

A unique type of gas-liquid chromatography is described in which both mobile and "stationary" phases are composed of synthetic mixtures of helium and carbon dioxide. At temperatures below the critical point of the binary mixture and pressures above the vapor pressure of pure liquid carbon dioxide, helium and carbon dioxide can form two immiscible phases over extended composition ranges. A binary vapor phase enriched in helium can act as the mobile phase for chromatographic separations, whereas a CO2-rich liquid in equilibrium with the vapor phase, but condensed on the column wall, can act as a pseudostationary phase. Several examples of chromatographic separations obtained in "empty" capillary columns with no ordinary stationary liquid phase illustrate the range of conditions that produce such separations. In addition, several experiments are reported that confirm the proposed two-phase hypothesis. The possible consequences of the observed chromatographic phenomenon in the field of supercritical fluid chromatography with helium headspace carbon dioxide are discussed.

Hydrogen, lithium, and lithium hydride production

DOEpatents

Brown, Sam W.; Spencer, Larry S.; Phillips, Michael R.; Powell, G. Louis; Campbell, Peggy J.

2017-06-20

A method is provided for extracting hydrogen from lithium hydride. The method includes (a) heating lithium hydride to form liquid-phase lithium hydride; (b) extracting hydrogen from the liquid-phase lithium hydride, leaving residual liquid-phase lithium metal; (c) hydriding the residual liquid-phase lithium metal to form refined lithium hydride; and repeating steps (a) and (b) on the refined lithium hydride.

Structure analysis of turbulent liquid phase by POD and LSE techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Munir, S., E-mail: shahzad-munir@comsats.edu.pk; Muthuvalu, M. S.; Siddiqui, M. I.

2014-10-24

In this paper, vortical structures and turbulence characteristics of liquid phase in both single liquid phase and two-phase slug flow in pipes were studied. Two dimensional velocity vector fields of liquid phase were obtained by Particle image velocimetry (PIV). Two cases were considered one single phase liquid flow at 80 l/m and second slug flow by introducing gas at 60 l/m while keeping liquid flow rate same. Proper orthogonal decomposition (POD) and Linear stochastic estimation techniques were used for the extraction of coherent structures and analysis of turbulence in liquid phase for both cases. POD has successfully revealed large energymore » containing structures. The time dependent POD spatial mode coefficients oscillate with high frequency for high mode numbers. The energy distribution of spatial modes was also achieved. LSE has pointed out the coherent structured for both cases and the reconstructed velocity fields are in well agreement with the instantaneous velocity fields.« less

Phase separations in mixtures of a liquid crystal and a nanocolloidal particle.

PubMed

Matsuyama, Akihiko

2009-11-28

We present a mean field theory to describe phase separations in mixtures of a liquid crystal and a nanocolloidal particle. By taking into account a nematic, a smectic A ordering of the liquid crystal, and a crystalline ordering of the nanoparticle, we calculate the phase diagrams on the temperature-concentration plane. We predict various phase separations, such as a smectic A-crystal phase separation and a smectic A-isotropic-crystal triple point, etc., depending on the interactions between the liquid crystal and the colloidal surface. Inside binodal curves, we find new unstable and metastable regions, which are important in the phase ordering dynamics. We also find a crystalline ordering of the nanoparticles dispersed in a smectic A phase and a nematic phase. The cooperative phenomena between liquid-crystalline ordering and crystalline ordering induce a variety of phase diagrams.

Liquid-liquid phase transformations and the shape of the melting curve.

PubMed

Makov, G; Yahel, E

2011-05-28

The phase diagram of elemental liquids has been found to be surprisingly rich, including variations in the melting curve and transitions in the liquid phase. The effect of these transitions in the liquid state on the shape of the melting curve is analyzed. First-order phase transitions intersecting the melting curve imply piecewise continuous melting curves, with solid-solid transitions generating upward kinks or minima and liquid-liquid transitions generating downward kinks or maxima. For liquid-liquid phase transitions proposed for carbon, phosphorous selenium, and possibly nitrogen, we find that the melting curve exhibits a kink. Continuous transitions imply smooth extrema in the melting curve, the curvature of which is described by an exact thermodynamic relation. This expression indicates that a minimum in the melting curve requires the solid compressibility to be greater than that of the liquid, a very unusual situation. This relation is employed to predict the loci of smooth maxima at negative pressures for liquids with anomalous melting curves. The relation between the location of the melting curve maximum and the two-state model of continuous liquid-liquid transitions is discussed and illustrated by the case of tellurium. © 2011 American Institute of Physics

Fluid inclusions in minerals from the geothermal fields of Tuscany, Italy

USGS Publications Warehouse

Belkin, H.; de Vivo, B.; Gianelli, G.; Lattanzi, P.

1985-01-01

A reconnaissance study on fluid inclusions from the geothermal fields of Tuscany indicates that the hydrothermal minerals were formed by fluids which were, at least in part, boiling. Four types of aqueous inclusions were recognized: (A) two-phase (liquid + vapor) liquid rich, (B) two-phase (vapor + liquid) vapor rich, (C) polyphase hypersaline liquid rich and (D) three phase-H2O liquid + CO2 liquid + CO2-rich vapor. Freezing and heating microthermometric determinations are reported for 230 inclusions from samples from six wells. It is suggested that boiling of an originally homogeneous, moderately saline, CO2-bearing liquid phase produced a residual hypersaline brine and a CO2-rich vapor phase. There are indications of a temperature decrease in the geothermal field of Larderello, especially in its peripheral zones. ?? 1985.

Classical vs. non-classical pathways of mineral formation (Invited)

NASA Astrophysics Data System (ADS)

De Yoreo, J. J.

2013-12-01

Recent chemical analyses, microscopy studies and computer simulations suggest many minerals nucleate through aggregation of pre-nucleation clusters and grow by particle-mediated processes that involve amorphous or disordered precursors. Still other analyses, both experimental and computational, conclude that even simple mineral systems like calcium carbonate form via a barrier-free process of liquid-liquid separation, which is followed by dehydration of the ion-rich phase to form the solid products. However, careful measurements of calcite nucleation rates on a variety of ionized surfaces give results that are in complete agreement with the expectations of classical nucleation theory, in which clusters growing through ion-by-ion addition overcome a free energy barrier through the natural microscopic density fluctuations of the system. Here the challenge of integrating these seemingly disparate observations and analyses into a coherent picture of mineral formation is addressed by considering the energy barriers to calcite formation predicted by the classical theory and the changes in those barriers brought about by the introduction of interfaces and clusters, both stable and metastable. Results from a suite of in situ TEM, AFM, and optical experiments combined with simulations are used to illustrate the conclusions. The analyses show that the expected barrier to homogeneous calcite nucleation is prohibitive even at concentrations exceeding the solubility limit of amorphous calcium carbonate. However, as demonstrated by experiments on self-assembled monolayers, the introduction of surfaces that moderately decrease the interfacial energy associated with the forming nucleus can reduce the magnitude of the barrier to a level that is easily surmounted under typical laboratory conditions. In the absence of such surfaces, experiments that proceed by continually increasing supersaturation with time can easily by-pass direct nucleation of calcite and open up pathways through all other solid phases, as well as dense liquid phases associated with a spinodal. Simulations predict that this phase boundary lies within the region of the calcium carbonate - water phase diagram accessible at room temperature. AFM and TEM analyses of other mineral systems, particularly calcium phosphate, suggest cluster aggregation can play important roles both in modifying barriers and in biasing pathways towards or away from amorphous phases. Most importantly, analysis of the energetic changes shows that barriers are only reduced if the clusters are metastable relative to the free ions and that the reduction is naturally accompanied by a bias towards formation of amorphous precursors. Finally, results from in situ TEM observations of nanoparticle interactions are used to understand the mechanisms controlling particle-mediated growth following formation of primary nuclei of either crystalline phases or disordered precursors. Measurements of the particle speeds and accelerations are used to estimate the magnitude of the attractive potential that drives particle-particle aggregation.

Modelling Phase Transition Phenomena in Fluids

DTIC Science & Technology

2015-07-01

Sublimation line r @@I Triple point ? Vapourisation liner @@I Critical point -Fusion line Solid Liquid Gas Figure 1: Schematic of a phase diagram means that the...velocity field can be set zero, and only the balance of energy constitutes the Stefan model. In contrast to this the liquid - gas phase transitions...defined by requiring that the phase-transition line is crossed in a direction from solid to liquid or from liquid to gas (vapour) phases. The term T∗ δs is

Phase equilibrium measurements on nine binary mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilding, W.V.; Giles, N.F.; Wilson, L.C.

1996-11-01

Phase equilibrium measurements have been performed on nine binary mixtures. The PTx method was used to obtain vapor-liquid equilibrium data for the following systems at two temperatures each: (aminoethyl)piperazine + diethylenetriamine; 2-butoxyethyl acetate + 2-butoxyethanol; 2-methyl-2-propanol + 2-methylbutane; 2-methyl-2-propanol + 2-methyl-2-butene; methacrylonitrile + methanol; 1-chloro-1,1-difluoroethane + hydrogen chloride; 2-(hexyloxy)ethanol + ethylene glycol; butane + ammonia; propionaldehyde + butane. Equilibrium vapor and liquid phase compositions were derived form the PTx data using the Soave equation of state to represent the vapor phase and the Wilson or the NRTL activity coefficient model to represent the liquid phase. A large immiscibility region existsmore » in the butane + ammonia system at 0 C. Therefore, separate vapor-liquid-liquid equilibrium measurements were performed on this system to more precisely determine the miscibility limits and the composition of the vapor phase in equilibrium with the two liquid phases.« less

Development of human nervous tissue upon differentiation of embryonic stem cells in three-dimensional culture.

PubMed

Preynat-Seauve, Olivier; Suter, David M; Tirefort, Diderik; Turchi, Laurent; Virolle, Thierry; Chneiweiss, Herve; Foti, Michelangelo; Lobrinus, Johannes-Alexander; Stoppini, Luc; Feki, Anis; Dubois-Dauphin, Michel; Krause, Karl Heinz

2009-03-01

Researches on neural differentiation using embryonic stem cells (ESC) require analysis of neurogenesis in conditions mimicking physiological cellular interactions as closely as possible. In this study, we report an air-liquid interface-based culture of human ESC. This culture system allows three-dimensional cell expansion and neural differentiation in the absence of added growth factors. Over a 3-month period, a macroscopically visible, compact tissue developed. Histological coloration revealed a dense neural-like neural tissue including immature tubular structures. Electron microscopy, immunochemistry, and electrophysiological recordings demonstrated a dense network of neurons, astrocytes, and oligodendrocytes able to propagate signals. Within this tissue, tubular structures were niches of cells resembling germinal layers of human fetal brain. Indeed, the tissue contained abundant proliferating cells expressing markers of neural progenitors. Finally, the capacity to generate neural tissues on air-liquid interface differed for different ESC lines, confirming variations of their neurogenic potential. In conclusion, this study demonstrates in vitro engineering of a human neural-like tissue with an organization that bears resemblance to early developing brain. As opposed to previously described methods, this differentiation (a) allows three-dimensional organization, (b) yields dense interconnected neural tissue with structurally and functionally distinct areas, and (c) is spontaneously guided by endogenous developmental cues.

Stabilizing liquid drops of arbitrary shape by the interfacial jamming of nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Russell, Thomas P.; Cui, Mengmeng; Emrick, Todd

A stabilized assembly including a first liquid phase of non-spherical droplets in a second liquid phase, wherein the second liquid phase is immiscible with the first phase, and nanoparticle surfactants assembled at an interface of the non-spherical droplets and the second phase is disclosed. The nanoparticle surfactants include nanoparticles and end-functionalized polymers that can interact through ligand type interactions, and the first phase is stabilized by a disordered, jammed layer of nanoparticle surfactants. A method of preparing a stabilized assembly is also disclosed.

How ionic species structure influences phase structure and transitions from protic ionic liquids to liquid crystals to crystals.

PubMed

Greaves, Tamar L; Broomhall, Hayden; Weerawardena, Asoka; Osborne, Dale A; Canonge, Bastien A; Drummond, Calum J

2017-12-14

The phase behaviour of n-alkylammonium (C6 to C16) nitrates and formates has been characterised using synchrotron small angle and wide angle X-ray scattering (SAXS/WAXS), differential scanning calorimetry (DSC), cross polarised optical microscopy (CPOM) and Fourier transform infrared spectroscopy (FTIR). The protic salts may exist as crystalline, liquid crystalline or ionic liquid materials depending on the alkyl chain length and temperature. n-Alkylammonium nitrates with n ≥ 6 form thermotropic liquid crystalline (LC) lamellar phases, whereas n ≥ 8 was required for the formate series to form this LC phase. The protic ionic liquid phase showed an intermediate length scale nanostructure resulting from the segregation of the polar and nonpolar components of the ionic liquid. This segregation was enhanced for longer n-alkyl chains, with a corresponding increase in the correlation length scale. The crystalline and liquid crystalline phases were both lamellar. Phase transition temperatures, lamellar d-spacings, and liquid correlation lengths for the n-alkylammonium nitrates and formates were compared with those for n-alkylammonium chlorides and n-alkylamines. Plateau regions in the liquid crystalline to liquid phase transition temperatures as a function of n for the n-alkylammonium nitrates and formates are consistent with hydrogen-bonding and cation-anion interactions between the ionic species dominating alkyl chain-chain van der Waals interactions, with the exception of the mid chained hexyl- and heptylammonium formates. The d-spacings of the lamellar phases for both the n-alkylammonium nitrates and formates were consistent with an increase in chain-chain layer interdigitation within the bilayer-based lamellae with increasing alkyl chain length, and they were comparable to the n-alkylammonium chlorides.

Biphasic catalysis in water/carbon dioxide micellar systems

DOEpatents

Jacobson, Gunilla B.; Tumas, William; Johnston, Keith P.

2002-01-01

A process is provided for catalyzing an organic reaction to form a reaction product by placing reactants and a catalyst for the organic reaction, the catalyst of a metal complex and at least one ligand soluble within one of the phases of said aqueous biphasic system, within an aqueous biphasic system including a water phase, a dense phase fluid, and a surfactant adapted for forming an emulsion or microemulsion within the aqueous biphasic system, the reactants soluble within one of the phases of the aqueous biphasic system and convertible in the presence of the catalyst to a product having low solubility in the phase in which the catalyst is soluble; and, maintaining the aqueous biphasic system under pressures, at temperatures, and for a period of time sufficient for the organic reaction to occur and form the reaction product and to maintain sufficient density on the dense phase fluid, the reaction product characterized as having low solubility in the phase in which the catalyst is soluble.

Gallium-rich Pd-Ga phases as supported liquid metal catalysts

NASA Astrophysics Data System (ADS)

Taccardi, N.; Grabau, M.; Debuschewitz, J.; Distaso, M.; Brandl, M.; Hock, R.; Maier, F.; Papp, C.; Erhard, J.; Neiss, C.; Peukert, W.; Görling, A.; Steinrück, H.-P.; Wasserscheid, P.

2017-09-01

A strategy to develop improved catalysts is to create systems that merge the advantages of heterogeneous and molecular catalysis. One such system involves supported liquid-phase catalysts, which feature a molecularly defined, catalytically active liquid film/droplet layer adsorbed on a porous solid support. In the past decade, this concept has also been extended to supported ionic liquid-phase catalysts. Here we develop this idea further and describe supported catalytically active liquid metal solutions (SCALMS). We report a liquid mixture of gallium and palladium deposited on porous glass that forms an active catalyst for alkane dehydrogenation that is resistant to coke formation and is thus highly stable. X-ray diffraction and X-ray photoelectron spectroscopy, supported by theoretical calculations, confirm the liquid state of the catalytic phase under the reaction conditions. Unlike traditional heterogeneous catalysts, the supported liquid metal reported here is highly dynamic and catalysis does not proceed at the surface of the metal nanoparticles, but presumably at homogeneously distributed metal atoms at the surface of a liquid metallic phase.

Hydrogen and helium under high pressure - A case for a classical theory of dense matter

NASA Astrophysics Data System (ADS)

Celebonovic, Vladan

1989-06-01

When subject to high pressure, H2 and He-3 are expected to undergo phase transitions, and to become metallic at a sufficiently high pressure. Using a semiclassical theory of dense matter proposed by Savic and Kasanin, calculations of phase transition and metallization pressure have been performed for these two materials. In hydrogen, metallization occurs at p(M) = (3.0 + or - 0.2) Mbar, while for helium the corresponding value is (106 + or - 1) Mbar. A phase transition occurs in helium at p(tr) = (10.0 + or - 0.4) Mbar. These values are close to the results obtainable by more rigorous methods. Possibilities of experimental verification of the calculations are briefly discussed.

Evaluation of the pathways of tropospheric nitrophenol formation from benzene and phenol using a multiphase model

NASA Astrophysics Data System (ADS)

Harrison, M. A. J.; Heal, M. R.; Cape, J. N.

2005-07-01

Phenols are a major class of volatile organic compounds (VOC) whose reaction within, and partitioning between, the gas and liquid phases affects their lifetime within the atmosphere, the local oxidising capacity, and the extent of production of nitrophenols, which are toxic chemicals. In this work, a zero-dimension box model was constructed to quantify the relative importance of different nitration pathways, and partitioning into the liquid phase, of mono-aromatic compounds in order to help elucidate the formation pathways of 2- and 4-nitrophenol in the troposphere. The liquid phase contributed significantly to the production of nitrophenols for liquid water content (Lc) values exceeding 3x10-9, and for a range of assumed liquid droplet diameter, even though the resultant equilibrium partitioning to the liquid phase was much lower. For example, in a "typical" model scenario, with Lc=3x10-7, 58% of nitrophenol production occurred in the liquid phase but only 2% of nitrophenol remained there, i.e. a significant proportion of nitrophenol observed in the gas phase may actually be produced via the liquid phase. The importance of the liquid phase was enhanced at lower temperatures, by a factor ~1.5-2 at 278K c.f. 298K. The model showed that nitrophenol production was particularly sensitive to the values of the rate coefficients for the liquid phase reactions between phenol and OH or NO3 reactions, but insensitive to the rate coefficient for the reaction between benzene and OH, thus identifying where further experimental data are required.

Dense grid sibling frames with linear phase filters

NASA Astrophysics Data System (ADS)

Abdelnour, Farras

2013-09-01

We introduce new 5-band dyadic sibling frames with dense time-frequency grid. Given a lowpass filter satisfying certain conditions, the remaining filters are obtained using spectral factorization. The analysis and synthesis filterbanks share the same lowpass and bandpass filters but have different and oversampled highpass filters. This leads to wavelets approximating shift-invariance. The filters are FIR, have linear phase, and the resulting wavelets have vanishing moments. The filters are designed using spectral factorization method. The proposed method leads to smooth limit functions with higher approximation order, and computationally stable filterbanks.

Computation of liquid-liquid equilibria and phase stabilities: implications for RH-dependent gas/particle partitioning of organic-inorganic aerosols

NASA Astrophysics Data System (ADS)

Zuend, A.; Marcolli, C.; Peter, T.; Seinfeld, J. H.

2010-05-01

Semivolatile organic and inorganic aerosol species partition between the gas and aerosol particle phases to maintain thermodynamic equilibrium. Liquid-liquid phase separation into an organic-rich and an aqueous electrolyte phase can occur in the aerosol as a result of the salting-out effect. Such liquid-liquid equilibria (LLE) affect the gas/particle partitioning of the different semivolatile compounds and might significantly alter both particle mass and composition as compared to a one-phase particle. We present a new liquid-liquid equilibrium and gas/particle partitioning model, using as a basis the group-contribution model AIOMFAC (Zuend et al., 2008). This model allows the reliable computation of the liquid-liquid coexistence curve (binodal), corresponding tie-lines, the limit of stability/metastability (spinodal), and further thermodynamic properties of the phase diagram. Calculations for ternary and multicomponent alcohol/polyol-water-salt mixtures suggest that LLE are a prevalent feature of organic-inorganic aerosol systems. A six-component polyol-water-ammonium sulphate system is used to simulate effects of relative humidity (RH) and the presence of liquid-liquid phase separation on the gas/particle partitioning. RH, salt concentration, and hydrophilicity (water-solubility) are identified as key features in defining the region of a miscibility gap and govern the extent to which compound partitioning is affected by changes in RH. The model predicts that liquid-liquid phase separation can lead to either an increase or decrease in total particulate mass, depending on the overall composition of a system and the particle water content, which is related to the hydrophilicity of the different organic and inorganic compounds. Neglecting non-ideality and liquid-liquid phase separations by assuming an ideal mixture leads to an overestimation of the total particulate mass by up to 30% for the composition and RH range considered in the six-component system simulation. For simplified partitioning parametrizations, we suggest a modified definition of the effective saturation concentration, C*j, by including water and other inorganics in the absorbing phase. Such a C*j definition reduces the RH-dependency of the gas/particle partitioning of semivolatile organics in organic-inorganic aerosols by an order of magnitude as compared to the currently accepted definition, which considers the organic species only.

Jet-mixing of initially-stratified liquid-liquid pipe flows: experiments and numerical simulations

NASA Astrophysics Data System (ADS)

Wright, Stuart; Ibarra-Hernandes, Roberto; Xie, Zhihua; Markides, Christos; Matar, Omar

2016-11-01

Low pipeline velocities lead to stratification and so-called 'phase slip' in horizontal liquid-liquid flows due to differences in liquid densities and viscosities. Stratified flows have no suitable single point for sampling, from which average phase properties (e.g. fractions) can be established. Inline mixing, achieved by static mixers or jets in cross-flow (JICF), is often used to overcome liquid-liquid stratification by establishing unstable two-phase dispersions for sampling. Achieving dispersions in liquid-liquid pipeline flows using JICF is the subject of this experimental and modelling work. The experimental facility involves a matched refractive index liquid-liquid-solid system, featuring an ETFE test section, and experimental liquids which are silicone oil and a 51-wt% glycerol solution. The matching then allows the dispersed fluid phase fractions and velocity fields to be established through advanced optical techniques, namely PLIF (for phase) and PTV or PIV (for velocity fields). CFD codes using the volume of a fluid (VOF) method are then used to demonstrate JICF breakup and dispersion in stratified pipeline flows. A number of simple jet configurations are described and their dispersion effectiveness is compared with the experimental results. Funding from Cameron for Ph.D. studentship (SW) gratefully acknowledged.

Comprehensive modeling of a liquid rocket combustion chamber

NASA Technical Reports Server (NTRS)

Liang, P.-Y.; Fisher, S.; Chang, Y. M.

1985-01-01

An analytical model for the simulation of detailed three-phase combustion flows inside a liquid rocket combustion chamber is presented. The three phases involved are: a multispecies gaseous phase, an incompressible liquid phase, and a particulate droplet phase. The gas and liquid phases are continuum described in an Eulerian fashion. A two-phase solution capability for these continuum media is obtained through a marriage of the Implicit Continuous Eulerian (ICE) technique and the fractional Volume of Fluid (VOF) free surface description method. On the other hand, the particulate phase is given a discrete treatment and described in a Lagrangian fashion. All three phases are hence treated rigorously. Semi-empirical physical models are used to describe all interphase coupling terms as well as the chemistry among gaseous components. Sample calculations using the model are given. The results show promising application to truly comprehensive modeling of complex liquid-fueled engine systems.

Development and utilization of new diagnostics for dense-phase pneumatic transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

Dense-phase pneumatic transport is an attractive means of conveying solids. Unfortunately, because of the high solid concentrations, this transport method is a difficult regime in which to carry out detailed measurements. Hence most details of the flow are unknown. In this context, the main objective of this work is to develop probes for local measurements of solid velocity and holdup in dense gas-solid flows. Because we anticipate the recent theories of rapid granular flows will bring insight to the dense pneumatic transport of particles, we have sought to substantiate these theories through computer simulations. There we have verified the theorymore » of Hanes, Jenkins Richman (1988) for the rapid, steady shear flow of identical, smooth, nearly elastics disks driven by identical, parallel, bumpy boundaries. Because granular flows depend strongly on the nature of their interaction with a boundary, we have verified the boundary conditions calculated by Jenkins (1991) for spheres interacting with a flat, frictional surface. During the previous reporting period, we began a study of the time relaxation of the second moment of velocity fluctuations for a collection of disks undergoing simple shear. In the present reporting period, we have completed this study of relaxation by comparing results of simulations with the theoretical predictions of Jenkins and Richman (1988). In addition, we have concluded a series of experiments with flour plugs in the dense-phase pneumatic setup. Finally, we have established several industrial contacts to transfer the diagnostic techniques developed under this contract. 7 refs., 11 figs.« less

Valiant 'Zero-Valent' Effort Restores Contaminated Grounds

NASA Technical Reports Server (NTRS)

2005-01-01

Dense non-aqueous phase liquids (DNAPLs) are chemical compounds that can contaminate soil and groundwater to the point of irreparability. These substances are only slightly soluble in water, and are much denser than water. Because of their solubility, DNAPLs form separate liquid phases in groundwater, and because of their density, DNAPLs sink in aquifers instead of floating at the water table, making it extremely difficult to detect their presence. If left untreated in the ground, they can taint fresh water sources. Common DNAPLs include chlorinated hydrocarbon compounds such as carbon tetrachloride, chloroform, tetrachloroethylene, and trichloroethylene. Trichloroethylene was used during the early days of the Space Program, as a solvent for flushing rocket engines, and for metal cleaning and degreasing of equipment, electronics, and heavy machinery. As a result, areas of Cape Canaveral s Launch Complex 34, the site of several historic Saturn rocket launches occurring from 1959 to 1968, were polluted with chlorinated DNAPLs. Through the direction and guidance of Dr. Jacqueline Quinn, an environmental engineer in the Spaceport Engineering and Technology Directorate at NASA s Kennedy Space Center, a biodegradable environmental cleanup technology was developed to reductively dechlorinate DNAPL sources in polluted water at Launch Complex 34. It was important for Kennedy to nip this problem in the bud, in light of the fact that the Space Center is also a National Wildlife Refuge, home to thousands of shorebirds, endangered sea turtles and eagles, manatees, alligators, and diverse habitats that include brackish marshes and salt water estuaries. The success in remediating this historic launch site has led to numerous commercial applications that are restoring the health of our environmental surroundings.

Displacement of soil pore water by trichloroethylene

USGS Publications Warehouse

Wershaw, R. L.; Aiken, G.R.; Imbrigiotta, T.E.; Goldberg, M.C.

1994-01-01

Dense nonaqueous phase liquids (DNAPLS) are important pollutants because of their widespread use as chemical and industrial solvents. An example of the pollution caused by the discharge of DNAPLs is found at the Picatinny Arsenal, New Jersey, where trichloroethylene (TCE) has been discharged directly into the unsaturated zone. This discharge has resulted in the formation of a plume of TCE-contaminated water in the aquifer downgradient of the discharge. A zone of dark-colored groundwater containing a high dissolved organic C content has been found near the point of discharge of the TCE. The colored-water plume extends from the point of discharge at least 30 m (100 feet) downgradient. Fulvic acids isolated from the colored-waters plume, from water from a background well that has not been affected by the discharge of chlorinated solvents, and from soil pore water collected in a lysimeter installed at an uncontaminated site upgradient of the study area have been compared. Nuclear magnetic resonance spectra of the fulvic acids from the colored waters and from the lysimeter are very similar, but are markedly different from the nuclear magnetic resonance spectrum of the fulvic acid from the background well. The three-dimensional fluorescence spectrum and the DOC fractionation profile of the colored groundwater and the soil pore water are very similar to each other, but quite different from those of the background water. It is proposed from these observations that this colored water is soil pore water that has been displaced by a separate DNAPL liquid phase downward to the saturated zone.

Mechanisms of lamellar collagen formation in connective tissues.

PubMed

Ghazanfari, Samaneh; Khademhosseini, Ali; Smit, Theodoor H

2016-08-01

The objective of tissue engineering is to regenerate functional tissues. Engineering functional tissues requires an understanding of the mechanisms that guide the formation and evolution of structure in the extracellular matrix (ECM). In particular, the three-dimensional (3D) collagen fiber arrangement is important as it is the key structural determinant that provides mechanical integrity and biological function. In this review, we survey the current knowledge on collagen organization mechanisms that can be applied to create well-structured functional lamellar tissues and in particular intervertebral disc and cornea. Thus far, the mechanisms behind the formation of cross-aligned collagen fibers in the lamellar structures is not fully understood. We start with cell-induced collagen alignment and strain-stabilization behavior mechanisms which can explain a single anisotropically aligned collagen fiber layer. These mechanisms may explain why there is anisotropy in a single layer in the first place. However, they cannot explain why a consecutive collagen layer is laid down with an alternating alignment. Therefore, we explored another mechanism, called liquid crystal phasing. While dense concentrations of collagen show such behavior, there is little evidence that the conditions for liquid crystal phasing are actually met in vivo. Instead, lysyl aldehyde-derived collagen cross-links have been found essential for correct lamellar matrix deposition. Furthermore, we suggest that supra-cellular (tissue-level) shear stress may be instrumental in the alignment of collagen fibers. Understanding the potential mechanisms behind the lamellar collagen structure in connective tissues will lead to further improvement of the regeneration strategies of functional complex lamellar tissues. Copyright © 2016 Elsevier Ltd. All rights reserved.

Dense CO2 as a Solute, Co-Solute or Co-Solvent in Particle Formation Processes: A Review

PubMed Central

Nunes, Ana V. M.; Duarte, Catarina M. M.

2011-01-01

The application of dense gases in particle formation processes has attracted great attention due to documented advantages over conventional technologies. In particular, the use of dense CO2 in the process has been subject of many works and explored in a variety of different techniques. This article presents a review of the current available techniques in use in particle formation processes, focusing exclusively on those employing dense CO2 as a solute, co-solute or co-solvent during the process, such as PGSS (Particles from gas-saturated solutions®), CPF (Concentrated Powder Form®), CPCSP (Continuous Powder Coating Spraying Process), CAN-BD (Carbon dioxide Assisted Nebulization with a Bubble Dryer®), SEA (Supercritical Enhanced Atomization), SAA (Supercritical Fluid-Assisted Atomization), PGSS-Drying and DELOS (Depressurization of an Expanded Liquid Organic Solution). Special emphasis is given to modifications introduced in the different techniques, as well as the limitations that have been overcome. PMID:28824121

Modeling of Shock Waves with Multiple Phase Transitions in Condensed Materials

NASA Astrophysics Data System (ADS)

Missonnier, Marc; Heuzé, Olivier

2006-07-01

When a shock wave crosses a solid material and subjects it to solid-solid or solid-liquid phase transition, related phenomena occur: shock splitting, and the corresponding released shock wave after reflection. Modelling of these phenomena raises physical and numerical issues. After shock loading, such materials can reach different kinds of states: single-phase states, binary-phase states, and triple points. The thermodynamic path can be studied and easily understood in the (V,E) or (V,S) planes. In the case of 3 phase tin (β,γ, and liquid) submitted to shock waves, seven states can occur: β,γ, liquid, β-γ, β-liquid, γ-liquid, and β-γ-liquid. After studying the thermodynamic properties with a complete 3-phase Equation of State, we show the existence of these seven states with a hydrodynamic simulation.

Effect of sequential release of NAPLs on NAPL migration in porous media

NASA Astrophysics Data System (ADS)

Bang, Woohui; Yeo, In Wook

2016-04-01

NAPLs (Non-aqueous phase liquids) are common groundwater contaminants and are classified as LNAPLs (Light non-aqueous phase liquids) and DNAPLs (Dense non-aqueous phase liquids) according to relative density for water. Due to their low solubility in water, NAPLs remain for a long time in groundwater, and they pose a serious environmental problem. Therefore, understanding NAPLs migration in porous media is essential for effective NAPLs remediation. DNAPLs tend to move downward through the water table by gravity force because its density is higher than water. However, if DNAPLs do not have sufficient energy which breaks capillary force of porous media, they will just accumulate above capillary zone or water table. Mobile phase of LNAPLs rises and falls depending on fluctuation of water table, and it could change the wettability of porous media from hydrophilic to hydrophobic. This could impacts on the migration characteristics of subsequently-released DNAPLs. LNAPLs and DNAPLs are sometime disposed at the same place (for example, the Hill air force base, USA). Therefore, this study focuses on the effect of sequential release of NAPLs on NAPLs (in particular, DNAPL) migration in porous media. We have conducted laboratory experiments. Gasoline, which is known to change wettability of porous media from hydrophilic to intermediate, and TCE (Trichloroethylene) were used as LNAPL and DNAPL, respectively. Glass beads with the grain size of 1 mm and 2 mm were prepared for two sets of porous media. Gasoline and TCE was dyed for visualization. First, respective LNAPL and DNAPL of 10 ml were separately released into prepared porous media. For the grain size of 2 mm glass beads, LNAPL became buoyant above the water table, and DNAPL just moved downward through porous media. However, for the experiment with the grain size of 1 mm glass beads, NAPLs behaved very differently. DNAPL did not migrate downward below and just remained above the water table due to capillary pressure of porous media. To study the effect of subsequent release of NAPLs, as soon as LNAPL was released to porous medium with 1 mm of glass beads, being buoyant above water table, water table was lowered, which left residuals along the path of LNAPL. DNAPL was subsequently released. DNAPL was breaking through the water table now, which was opposed to only DNAPL release case. This study indicates that sequential release of NAPLs can leads to different migration characteristics of NAPLs, compared with the release of single phase NAPL into porous media.

From hadrons to quarks in neutron stars: a review.

PubMed

Baym, Gordon; Hatsuda, Tetsuo; Kojo, Toru; Powell, Philip D; Song, Yifan; Takatsuka, Tatsuyuki

2018-05-01

In recent years our understanding of neutron stars has advanced remarkably, thanks to research converging from many directions. The importance of understanding neutron star behavior and structure has been underlined by the recent direct detection of gravitational radiation from merging neutron stars. The clean identification of several heavy neutron stars, of order two solar masses, challenges our current understanding of how dense matter can be sufficiently stiff to support such a mass against gravitational collapse. Programs underway to determine simultaneously the mass and radius of neutron stars will continue to constrain and inform theories of neutron star interiors. At the same time, an emerging understanding in quantum chromodynamics (QCD) of how nuclear matter can evolve into deconfined quark matter at high baryon densities is leading to advances in understanding the equation of state of the matter under the extreme conditions in neutron star interiors. We review here the equation of state of matter in neutron stars from the solid crust through the liquid nuclear matter interior to the quark regime at higher densities. We focus in detail on the question of how quark matter appears in neutron stars, and how it affects the equation of state. After discussing the crust and liquid nuclear matter in the core we briefly review aspects of microscopic quark physics relevant to neutron stars, and quark models of dense matter based on the Nambu-Jona-Lasinio framework, in which gluonic processes are replaced by effective quark interactions. We turn then to describing equations of state useful for interpretation of both electromagnetic and gravitational observations, reviewing the emerging picture of hadron-quark continuity in which hadronic matter turns relatively smoothly, with at most only a weak first order transition, into quark matter with increasing density. We review construction of unified equations of state that interpolate between the reasonably well understood nuclear matter regime at low densities and the quark matter regime at higher densities. The utility of such interpolations is driven by the present inability to calculate the dense matter equation of state in QCD from first principles. As we review, the parameters of effective quark models-which have direct relevance to the more general structure of the QCD phase diagram of dense and hot matter-are constrained by neutron star mass and radii measurements, in particular favoring large repulsive density-density and attractive diquark pairing interactions. We describe the structure of neutron stars constructed from the unified equations of states with crossover. Lastly we present the current equations of state-called 'QHC18' for quark-hadron crossover-in a parametrized form practical for neutron star modeling.

From hadrons to quarks in neutron stars: a review

NASA Astrophysics Data System (ADS)

Baym, Gordon; Hatsuda, Tetsuo; Kojo, Toru; Powell, Philip D.; Song, Yifan; Takatsuka, Tatsuyuki

2018-05-01

In recent years our understanding of neutron stars has advanced remarkably, thanks to research converging from many directions. The importance of understanding neutron star behavior and structure has been underlined by the recent direct detection of gravitational radiation from merging neutron stars. The clean identification of several heavy neutron stars, of order two solar masses, challenges our current understanding of how dense matter can be sufficiently stiff to support such a mass against gravitational collapse. Programs underway to determine simultaneously the mass and radius of neutron stars will continue to constrain and inform theories of neutron star interiors. At the same time, an emerging understanding in quantum chromodynamics (QCD) of how nuclear matter can evolve into deconfined quark matter at high baryon densities is leading to advances in understanding the equation of state of the matter under the extreme conditions in neutron star interiors. We review here the equation of state of matter in neutron stars from the solid crust through the liquid nuclear matter interior to the quark regime at higher densities. We focus in detail on the question of how quark matter appears in neutron stars, and how it affects the equation of state. After discussing the crust and liquid nuclear matter in the core we briefly review aspects of microscopic quark physics relevant to neutron stars, and quark models of dense matter based on the Nambu–Jona–Lasinio framework, in which gluonic processes are replaced by effective quark interactions. We turn then to describing equations of state useful for interpretation of both electromagnetic and gravitational observations, reviewing the emerging picture of hadron-quark continuity in which hadronic matter turns relatively smoothly, with at most only a weak first order transition, into quark matter with increasing density. We review construction of unified equations of state that interpolate between the reasonably well understood nuclear matter regime at low densities and the quark matter regime at higher densities. The utility of such interpolations is driven by the present inability to calculate the dense matter equation of state in QCD from first principles. As we review, the parameters of effective quark models—which have direct relevance to the more general structure of the QCD phase diagram of dense and hot matter—are constrained by neutron star mass and radii measurements, in particular favoring large repulsive density-density and attractive diquark pairing interactions. We describe the structure of neutron stars constructed from the unified equations of states with crossover. Lastly we present the current equations of state—called ‘QHC18’ for quark-hadron crossover—in a parametrized form practical for neutron star modeling.

Evaporative Mass Transfer Behavior of a Complex Immiscible Liquid

PubMed Central

McColl, Colleen M.; Johnson, Gwynn R.; Brusseau, Mark L.

2010-01-01

A series of laboratory experiments was conducted with a multiple-component immiscible liquid, collected from the Picillo Farm Superfund Site in Rhode Island, to examine liquid-vapor mass-transfer behavior. The immiscible liquid, which comprises solvents, oils, pesticides, PCBs, paint sludges, explosives, and other compounds, was characterized using gas chromatography and gas chromatography/mass spectrometry to determine mole fractions of selected constituents. Batch experiments were conducted to evaluate equilibrium phase-partitioning behavior. Two sets of air-stripping column studies were conducted to examine the mass-transfer dynamics of five selected target compounds present in the immiscible-liquid mixture. One set of column experiments was designed to represent a system with free-phase immiscible liquid present; the other was designed to represent a system with a residual phase of immiscible liquid. Initial elution behavior of all target components generally appeared to be ideal for both systems, as the initial vapor-phase concentrations were similar to vapor-phase concentrations measured for the batch experiment and those estimated using Raoult’s law (incorporating the immiscible-liquid composition data). Later-stage removal of 1,2-dichlorobenzene appeared to be rate limited for the columns containing free-phase immiscible liquid and no porous medium. Conversely, evaporative mass transfer appeared to be ideal throughout the experiment conducted with immiscible liquid distributed relatively uniformly as a residual phase within a sandy porous medium. PMID:18614196

Evaporative mass transfer behavior of a complex immiscible liquid.

PubMed

McColl, Colleen M; Johnson, Gwynn R; Brusseau, Mark L

2008-09-01

A series of laboratory experiments was conducted with a multiple-component immiscible liquid, collected from the Picillo Farm Superfund Site in Rhode Island, to examine liquid-vapor mass-transfer behavior. The immiscible liquid, which comprises solvents, oils, pesticides, PCBs, paint sludges, explosives, and other compounds, was characterized using gas chromatography and gas chromatography/mass spectrometry to determine mole fractions of selected constituents. Batch experiments were conducted to evaluate equilibrium phase-partitioning behavior. Two sets of air-stripping column studies were conducted to examine the mass-transfer dynamics of five selected target compounds present in the immiscible-liquid mixture. One set of column experiments was designed to represent a system with free-phase immiscible liquid present; the other was designed to represent a system with a residual phase of immiscible liquid. Initial elution behavior of all target components generally appeared to be ideal for both systems, as the initial vapor-phase concentrations were similar to vapor-phase concentrations measured for the batch experiment and those estimated using Raoult's law (incorporating the immiscible-liquid composition data). Later-stage removal of 1,2-dichlorobenzene appeared to be rate limited for the columns containing free-phase immiscible liquid and no porous medium. Conversely, evaporative mass transfer appeared to be ideal throughout the experiment conducted with immiscible liquid distributed relatively uniformly as a residual phase within a sandy porous medium.

A Review and Evaluation of the Phase Equilibria, Liquid-Phase Heats of Mixing and Excess Volumes, and Gas-Phase PVT Measurements for Nitrogen+Methane

NASA Astrophysics Data System (ADS)

Kidnay, A. J.; Miller, R. C.; Sloan, E. D.; Hiza, M. J.

1985-07-01

The available experimental data for vapor-liquid equilibria, heat of mixing, change in volume on mixing for liquid mixtures, and gas-phase PVT measurements for nitrogen+methane have been reviewed and where possible evaluated for consistency. The derived properties chosen for analysis and correlation were liquid mixture excess Gibbs free energies, and Henry's constants.

A Novel Liquid-Liquid Transition in Undercooled Ti-Zr-Ni Liquids

NASA Technical Reports Server (NTRS)

Lee, G. W.; Gangopadhyay, A. K.; Kelton, K. F.; Bradshaw, R. C.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.

2004-01-01

If crystallization can be avoided, liquids enter a metastable (undercooled) state below their equilibrium liquidus temperatures, T(sub l), finally 'freezing' into a glass below a characteristic temperature called the glass transition temperature, T(sub g). In rare cases, the undercooled liquid may undergo a liquid-liquid phase transition (liquid polymorphism) before entering the glassy state. This has been suggested from experimental studies of H2O and Si. Such phase transitions have been predicted in some stable liquids, ie. above T(sub l) at atmospheric pressure, for SiO2 and BeF2, but these have not been verified experimentally. They have been observed in liquids of P, Si and C, but only under high pressure. In this letter we present the first experimental evidence for a phase transition in a low viscosity metallic liquid that is driven by an approach to a constant entropy configuration state and correlated with a growing icosahedral order in the liquid. A maximum in the specific heat at constant pressure, similar to what is normally observed near T(sub g), is reported for undercooled liquids of quasicrystal-forming Ti-Zr-Ni alloys. A two-state excitation model that includes cooperativity by incorporating a temperature-dependent excitation energy, fits the specific heat data well, signaling a phase transition. An inflection in the liquid density with decreasing temperature instead of a discontinuity indicates that this is not a typical first order phase transition; it could be a weakly first order or higher order transition. While showing many similarities to a glass transition, this liquid-liquid phase transition occurs in a mobile liquid, making it novel.

Comparison of short-range-order in liquid- and rotator-phase states of a simple molecular liquid: A reverse Monte Carlo and molecular dynamics analysis of neutron diffraction data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pardo, Luis Carlos; Tamarit, Josep Lluis; Veglio, Nestor

2007-10-01

The short-range order (SRO) correlations in liquid- and rotator-phase states of carbon tetrachloride are revisited here. The correlation of some angular magnitudes is used to evaluate the positional and orientational correlations in the liquid as well as in the rotator phase. The results show significant similitudes in the relative position of the molecules surrounding a central one but striking differences in their relative orientations, which could explain the changes in SRO between the two phases and the puzzling behavior of the local density in the liquid and rotator phases.

Liquid phase sintering of silicon carbide

DOEpatents

Cutler, R.A.; Virkar, A.V.; Hurford, A.C.

1989-05-09

Liquid phase sintering is used to densify silicon carbide based ceramics using a compound comprising a rare earth oxide and aluminum oxide to form liquids at temperatures in excess of 1,600 C. The resulting sintered ceramic body has a density greater than 95% of its theoretical density and hardness in excess of 23 GPa. Boron and carbon are not needed to promote densification and silicon carbide powder with an average particle size of greater than one micron can be densified via the liquid phase process. The sintered ceramic bodies made by the present invention are fine grained and have secondary phases resulting from the liquid phase. 4 figs.

Liquid phase sintering of silicon carbide

DOEpatents

Cutler, Raymond A.; Virkar, Anil V.; Hurford, Andrew C.

1989-01-01

Liquid phase sintering is used to densify silicon carbide based ceramics using a compound comprising a rare earth oxide and aluminum oxide to form liquids at temperatures in excess of 1600.degree. C. The resulting sintered ceramic body has a density greater than 95% of its theoretical density and hardness in excess of 23 GPa. Boron and carbon are not needed to promote densification and silicon carbide powder with an average particle size of greater than one micron can be densified via the liquid phase process. The sintered ceramic bodies made by the present invention are fine grained and have secondary phases resulting from the liquid phase.

Structure and phase behavior of a confined nanodroplet composed of the flexible chain molecules.

PubMed

Kim, Soon-Chul; Kim, Eun-Young; Seong, Baek-Seok

2011-04-28

A polymer density functional theory has been employed for investigating the structure and phase behaviors of the chain polymer, which is modelled as the tangentially connected sphere chain with an attractive interaction, inside the nanosized pores. The excess free energy of the chain polymer has been approximated as the modified fundamental measure-theory for the hard spheres, the Wertheim's first-order perturbation for the chain connectivity, and the mean-field approximation for the van der Waals contribution. For the value of the chemical potential corresponding to a stable liquid phase in the bulk system and a metastable vapor phase, the flexible chain molecules undergo the liquid-vapor transition as the pore size is reduced; the vapor is the stable phase at small volume, whereas the liquid is the stable phase at large volume. The wide liquid-vapor coexistence curve, which explains the wide range of metastable liquid-vapor states, is observed at low temperature. The increase of temperature and decrease of pore size result in a narrowing of liquid-vapor coexistence curves. The increase of chain length leads to a shift of the liquid-vapor coexistence curve towards lower values of chemical potential. The coexistence curves for the confined phase diagram are contained within the corresponding bulk liquid-vapor coexistence curve. The equilibrium capillary phase transition occurs at a higher chemical potential than in the bulk phase.

Recent development of ionic liquid stationary phases for liquid chromatography.

PubMed

Shi, Xianzhe; Qiao, Lizhen; Xu, Guowang

2015-11-13

Based on their particular physicochemical characteristics, ionic liquids have been widely applied in many fields of analytical chemistry. Many types of ionic liquids were immobilized on a support like silica or monolith as stationary phases for liquid chromatography. Moreover, different approaches were developed to bond covalently ionic liquids onto the supporting materials. The obtained ionic liquid stationary phases show multi-mode mechanism including hydrophobic, hydrophilic, hydrogen bond, anion exchange, π-π, and dipole-dipole interactions. Therefore, they could be used in different chromatographic modes including ion-exchange, RPLC, NPLC and HILIC to separate various classes of compounds. This review mainly summarizes the immobilized patterns and types of ionic liquid stationary phases, their retention mechanisms and applications in the recent five years. Copyright © 2015 Elsevier B.V. All rights reserved.

Improving the efficiency of quantum hash function by dense coding of coin operators in discrete-time quantum walk

NASA Astrophysics Data System (ADS)

Yang, YuGuang; Zhang, YuChen; Xu, Gang; Chen, XiuBo; Zhou, Yi-Hua; Shi, WeiMin

2018-03-01

Li et al. first proposed a quantum hash function (QHF) in a quantum-walk architecture. In their scheme, two two-particle interactions, i.e., I interaction and π-phase interaction are introduced and the choice of I or π-phase interactions at each iteration depends on a message bit. In this paper, we propose an efficient QHF by dense coding of coin operators in discrete-time quantum walk. Compared with existing QHFs, our protocol has the following advantages: the efficiency of the QHF can be doubled and even more; only one particle is enough and two-particle interactions are unnecessary so that quantum resources are saved. It is a clue to apply the dense coding technique to quantum cryptographic protocols, especially to the applications with restricted quantum resources.

49 CFR 179.400-19 - Valves and gages.

Code of Federal Regulations, 2014 CFR

2014-10-01

... control of vapor phase pressure, vapor phase venting, liquid transfer and liquid flow rates. All valves... within suitable protective housings. A liquid level gage and a vapor phase pressure gage must be provided... Liquid Tank Car Tanks and Seamless Steel Tanks (Classes DOT-113 and 107A) § 179.400-19 Valves and gages...

49 CFR 179.400-19 - Valves and gages.

Code of Federal Regulations, 2012 CFR

2012-10-01

... control of vapor phase pressure, vapor phase venting, liquid transfer and liquid flow rates. All valves... within suitable protective housings. A liquid level gage and a vapor phase pressure gage must be provided... Liquid Tank Car Tanks and Seamless Steel Tanks (Classes DOT-113 and 107A) § 179.400-19 Valves and gages...

49 CFR 179.400-19 - Valves and gages.

Code of Federal Regulations, 2013 CFR

2013-10-01

... control of vapor phase pressure, vapor phase venting, liquid transfer and liquid flow rates. All valves... within suitable protective housings. A liquid level gage and a vapor phase pressure gage must be provided... Liquid Tank Car Tanks and Seamless Steel Tanks (Classes DOT-113 and 107A) § 179.400-19 Valves and gages...

Numerical investigation of influence on heat transfer characteristics to pneumatically conveyed dense phase flow by selecting models and boundary conditions

NASA Astrophysics Data System (ADS)

Zheng, Y.; Liu, Q.; Li, Y.

2012-03-01

Solids moving with a gas stream in a pipeline can be found in many industrial processes, such as power generation, chemical, pharmaceutical, food and commodity transfer processes. A mass flow rate of the solids is important characteristic that is often required to be measured (and controlled) to achieve efficient utilization of energy and raw materials in pneumatic conveying systems. The methods of measuring the mass flow rate of solids in a pneumatic pipeline can be divided into direct and indirect (inferential) measurements. A thermal solids' mass flow-meter, in principle, should ideally provide a direct measurement of solids flow rate, regardless of inhomogeneities in solids' distribution and environmental impacts. One key issue in developing a thermal solids' mass flow-meter is to characterize the heat transfer between the hot pipe wall and the gas-solids dense phase flow. The Eulerian continuum modeling with gas-solid two phases is the most common method for pneumatic transport. To model a gas-solid dense phase flow passing through a heated region, the gas phase is described as a continuous phase and the particles as the second phase. This study aims to describe the heat transfer characteristics between the hot wall and the gas-solids dense phase flow in pneumatic pipelines by modeling a turbulence gas-solid plug passing through the heated region which involves several actual and crucial issues: selections of interphase exchange coefficient, near-wall region functions and different wall surface temperatures. A sensitivity analysis was discussed to identify the influence on the heat transfer characteristics by selecting different interphase exchange coefficient models and different boundary conditions. Simulation results suggest that sensitivity analysis in the choice of models is very significant. The simulation results appear to show that a combination of choosing the Syamlal-O'Brien interphase exchange coefficient model and the standard k-ɛ model along with the standard wall function model might be the best approach, by which, the simulation data seems to be closest to the experimental results.

Evaluating the Liquid Liquid Phase Transition Hypothesis of Supercoooled Water

NASA Astrophysics Data System (ADS)

Limmer, David; Chandler, David

2011-03-01

To explain the anomalous behavior of supercooled water it has been conjectured that buried within an experimentally inaccessible region of liquid water's phase diagram there exists a second critical point, which is the terminus of a first order transition line between two distinct liquid phases. The so-called liquid-liquid phase transition (LLPT) has since generated much study, though to date there is no consensus on its existence. In this talk, we will discuss our efforts to systematically study the metastable phase diagram of supercooled water through computer simulation. By employing importance-sampling techniques, we have calculated free energies as a function of the density and long-range order to determine unambiguously if two distinct liquid phases exist. We will argue that, contrary to the LLPT hypothesis, the observed phenomenology can be understood as a consequence of the limit of stability of the liquid far away from coexistence. Our results suggest that homogeneous nucleation is the cause of the increased fluctuations present upon supercooling. Further we will show how this understanding can be extended to explain experimental observations of hysteresis in confined supercooled water systems.

Wetting phenomenon in the liquid-vapor phase coexistence of a partially miscible Lennard-Jones binary mixture

NASA Astrophysics Data System (ADS)

Ramírez-Santiago, Guillermo; Díaz-Herrera, Enrique; Moreno Razo, José A.

2004-03-01

We have carried out extensive equilibrium MD simulations to study wetting phenomena in the liquid-vapor phase coexistence of a partially miscible binary LJ mixture. We find that in the temperature range 0.60 ≤ T^* < 0.80, the system separates forming a liquid A-liquid B interface in coexistence with the vapor phase. At higher temperatures, 0.80 ≤ T^* < 1.25 the liquid phases are wet by the vapor phase. By studying the behavior of the surface tension as a function of temperature we estimate the wetting transition temperature (WTT) to be T^*_w≃ 0.80. The adsorption of molecules at the liquid-liquid interface shows a discontinuity at about T^*≃ 0.79 suggesting that the wetting transition is a first order phase transition. These results are in agreement with some experiments carried out in fluid binary mixtures. In addition, we estimated the consolute temperature to be T^* _cons≃ 1.25. The calculated phase diagram of the mixture suggest the existence of a tricritical point.

Quantum Liquid Crystal Phases in Strongly Correlated Fermionic Systems

ERIC Educational Resources Information Center

Sun, Kai

2009-01-01

This thesis is devoted to the investigation of the quantum liquid crystal phases in strongly correlated electronic systems. Such phases are characterized by their partially broken spatial symmetries and are observed in various strongly correlated systems as being summarized in Chapter 1. Although quantum liquid crystal phases often involve…

The origins of microstructure in phase inversion coatings or membranes: Snapshots of the transient from time-sectioning cryo-SEM

NASA Astrophysics Data System (ADS)

Prakash, Sai Sivasankaran

2001-11-01

Time-sectioning cryogenic scanning electron microscopy (cryo-SEM) is a unique method of visualizing how the microstructure of liquid coatings evolves during processing. Time-sectioning means rapidly freezing (nearly) identical specimens at successively later stages of the process; doing this requires that coating and drying be well controlled in the dry phase inversion process, and solvents exchange likewise in the wet phase inversion process. With control, frozen specimens are fractured, etched by limited sublimation, sputter-coated, and imaged at temperatures of ca -175°C. The coatings examined were of cellulose acetate, of high and low molecular weights, and polysulfone in mixed solvents and nonsolvents: acetone and water with cellulose acetate undergoing dry phase inversion; and tetrahydrofuran, dimethylacetamide, ethanol with polysulfone undergoing dry-wet phase inversion. All coatings, cast on silicon substrates, were initially homogeneous. The initial compositions of the high and low molecular weight cellulose acetate ternary solutions were "off-critical" and "near-critical", respectively, connoting their proximities to the critical or plait point of the phase diagram. The initial composition of the polysulfone quaternary solution was located near the binodal of the pseudo-ternary phase diagram. It appeared that as the higher molecular weight cellulose acetate coating dries, it nucleates and grows polymer-poor droplets that coalesce into a bicontinuous structure underlying a thin, dense skin. Bicontinuity of structure was verified by stereomicroscopy of the dry sample. The lower molecular weight cellulose acetate coating phase-separates, seemingly spinodally, directly into a bicontinuous structure whose polymer-rich network, stressed by frustrated in-plane shrinkage, ruptures far beneath the skin in some locales to form macrovoids. When, after partial drying, the polysulfone coating was immersed in a bath of water, a nonsolvent, it appeared to swell in thickness as it phase-separates. A dense skin, thinner than a micron, appeared to overlie a two-phase substructure that is punctuated with pear-shaped macrovoids. At early immersion times, this substructure is visibly bicontinuous or open-celled near the bath-side, and dispersion-like (droplets dispersed in a polymeric matrix) or closed-celled near the substrate-side. Moreover, in the bicontinuous regions, length-scales of the individual phases seem to increase across the coating thickness from the bath-side to the substrate-side. After prolonged immersion, the substructure, excluding the macrovoids, is entirely bicontinuous. The bicontinuity presumably results from a combination of spinodal decomposition and nucleation and growth plus coalescence. Quite strikingly, macrovoids are present exclusively in regions where phases are bicontinuous, and are absent where droplets are dispersed in the polymeric matrix. Evidence suggests that macrovoids result from an instability caused by a progressive rupture of polymer-rich links deeper and deeper beneath the skin, aggravated by stress localization in the rupturing network and a buildup of pressure in the polymer-poor phase (the pore space), as suspected by Grobe and Meyer in 1959.

Presumption of large-scale heterogeneity at the top of the outer core basal layer

NASA Astrophysics Data System (ADS)

Souriau, Annie

2015-04-01

A layer of reduced P-velocity gradient with thickness of about 100-200 km has been identified at the base of the liquid core from seismological methods. It has been interpreted as a dense layer resulting from partial re-melting of the inner core, which is depleted in light elements with respect to the liquid core during freezing. In an attempt to specify where freezing and re-melting occur, the structure of this basal layer is investigated with the seismological core phase PKPbc which has its turning point in the lower third of the outer core. The large PKPbc data set of the EHB catalog distributed by the International Seismological Centre is analyzed. In order to compensate for the uneven distribution of the data and to minimize the influence of mantle heterogeneities, the travel time anomalies are binned inside equal area and equal azimuth sectors sampling the base of the liquid core at different depths. Most of the observed variations in the binned travel time residuals are not significant according to their confidence level. The only features which could be significant are a large patch with a velocity increase of about 0.5% located at the top of the basal layer beneath the eastern hemisphere, and the complementary velocity decrease beneath the western hemisphere and the South pole. This observation suggests that some freezing or re-melting processes occur at the top of the basal layer with a hemispherical dissymmetry. If confirmed, it may give strong constraints on the fate of the light elements during the freezing and re-melting process and on their interaction with the basal layer and the overlying liquid core.

A large hydrothermal reservoir beneath Taal Volcano (Philippines) revealed by magnetotelluric observations and its implications to the volcanic activity.

PubMed

Alanis, Paul K B; Yamaya, Yusuke; Takeuchi, Akihiro; Sasai, Yoichi; Okada, Yoshihiro; Nagao, Toshiyasu

2013-01-01

Taal Volcano is one of the most active volcanoes in the Philippines. The magnetotelluric 3D forward analyses indicate the existence of a large high resistivity anomaly (∼100 Ω·m) with a volume of at least 3 km×3 km×3 km, which is capped by a conductive layer (∼10 Ω·m), beneath the Main Crater. This high resistivity anomaly is hypothesized to be a large hydrothermal reservoir, consisting of the aggregate of interconnected cracks in rigid and dense host rocks, which are filled with hydrothermal fluids coming from a magma batch below the reservoir. The hydrothermal fluids are considered partly in gas phase and liquid phase. The presence of such a large hydrothermal reservoir and the stagnant magma below may have influences on the volcano's activity. Two possibilities are presented. First, the 30 January 1911 explosion event was a magmatic hydrothermal eruption rather than a base-surge associated with a phreato-magmatic eruption. Second, the earlier proposed four eruption series may be better interpreted by two cycles, each consisting of series of summit and flank eruptions.

Mass transfer and benzene removal from air using latex rubber tubing and a hollow-fiber membrane module.

PubMed

Fitch, Mark; Neeman, Jeffrey; England, Ellen

2003-03-01

A dense-phase latex rubber tube and a polyporous propylene hollow-fiber membrane module (HFMM) were investigated for control of benzene-contaminated gas streams. The abiotic mass flux observed through the latex tube was 3.9 13 mg/(min.m(2)) for 150 ppm of benzene at various gas and liquid flow rates, while a 100-fold lower mass flux was observed in the HFMM. After seeding with an aromatic-degrading culture enriched from activated sludge, the observed removal was 80% of 150 ppm, corresponding to a mass flux of 45 mg/(min.m(2)). The observed mass flux through the HFMM during biofiltration also rose, to 0.4 mg/(min.m(2)). Because the HFMM had a 50-fold higher surface area than the latex tube, the observed benzene removal was 99.8%. Compared to conventional biofilters, the two reactors had modest elimination capacities, 2.5 18 g/(m(3).h) in the latex tube membrane bioreactor and 4.8 58 g/(m(3).h) in the HFMM. Although the HFMM had a higher elimination capacity, the gas-phase pressure drop was much greater.

A large hydrothermal reservoir beneath Taal Volcano (Philippines) revealed by magnetotelluric observations and its implications to the volcanic activity

PubMed Central

ALANIS, Paul K. B.; YAMAYA, Yusuke; TAKEUCHI, Akihiro; SASAI, Yoichi; OKADA, Yoshihiro; NAGAO, Toshiyasu

2013-01-01

Taal Volcano is one of the most active volcanoes in the Philippines. The magnetotelluric 3D forward analyses indicate the existence of a large high resistivity anomaly (∼100 Ω·m) with a volume of at least 3 km × 3 km × 3 km, which is capped by a conductive layer (∼10 Ω·m), beneath the Main Crater. This high resistivity anomaly is hypothesized to be a large hydrothermal reservoir, consisting of the aggregate of interconnected cracks in rigid and dense host rocks, which are filled with hydrothermal fluids coming from a magma batch below the reservoir. The hydrothermal fluids are considered partly in gas phase and liquid phase. The presence of such a large hydrothermal reservoir and the stagnant magma below may have influences on the volcano’s activity. Two possibilities are presented. First, the 30 January 1911 explosion event was a magmatic hydrothermal eruption rather than a base-surge associated with a phreato-magmatic eruption. Second, the earlier proposed four eruption series may be better interpreted by two cycles, each consisting of series of summit and flank eruptions. PMID:24126286

Three Types of Earth's Inner Core Boundary

NASA Astrophysics Data System (ADS)

Tian, D.; Wen, L.

2017-12-01

The Earth's inner core boundary (ICB) is the site where the liquid outer core solidifies and the solid inner core grows. Thus, the fine-scale structure of the ICB is important for our understanding of the thermo-compositional state of the Earth's core. In this study, we collect a large set of seismic records with high-quality pre-critical PKiKP and PcP phase pairs, recorded by two dense seismic arrays, Hi-net in Japan and USArray in US. This dataset samples the ICB regions beneath East Asia, Mexico and the Bering Sea. We use differential travel times, amplitude ratios and waveform differences between PKiKP and PcP phases to constrain fine-scale structure of the ICB. The sampled ICB can be grouped into three types based on their seismic characteristics: (1) a simple ICB with a flat and sharp boundary, (2) a bumpy ICB with topographic height changes of 10 km, and (3) a localized mushy ICB with laterally varying thicknesses of 4-8 km. The laterally varying fine-scale structure of the ICB indicates existence of complex small-scale forces at the surface and a laterally varying solidification process of the inner core due to lateral variation of thermo-compositional condition near the ICB.

FAST TRACK COMMUNICATION: A closer look at arrested spinodal decomposition in protein solutions

NASA Astrophysics Data System (ADS)

Gibaud, Thomas; Schurtenberger, Peter

2009-08-01

Concentrated aqueous solutions of the protein lysozyme undergo a liquid-solid transition upon a temperature quench into the unstable spinodal region below a characteristic arrest temperature of Tf = 15 °C. We use video microscopy and ultra-small angle light scattering in order to investigate the arrested structures as a function of initial concentration, quench temperature and rate of the temperature quench. We find that the solid-like samples show all the features of a bicontinuous network that is formed through an arrested spinodal decomposition process. We determine the correlation length ξ and demonstrate that ξ exhibits a temperature dependence that closely follows the critical scaling expected for density fluctuations during the early stages of spinodal decomposition. These findings are in agreement with an arrest scenario based on a state diagram where the arrest or gel line extends far into the unstable region below the spinodal line. Arrest then occurs when during the early stage of spinodal decomposition the volume fraction phi2 of the dense phase intersects the dynamical arrest threshold phi2,Glass, upon which phase separation gets pinned into a space-spanning gel network with a characteristic length ξ.

Interpretation of trace element and isotope features of basalts: relevance of field relations, petrology, major element data, phase equilibria, and magma chamber modeling in basalt petrogenesis

NASA Astrophysics Data System (ADS)

O'Hara, M. J.; Herzberg, C.

2002-06-01

The concentrations and ratios of the major elements determine the physical properties and the phase equilibria behavior of peridotites and basalts in response to the changing energy contents of the systems. The behavior of the trace elements and isotopic features are influenced in their turn by the phase equilibria, by the physical character of the partial melting and partial crystallization processes, and by the way in which a magma interacts with its wall rocks. Concentrating on the trace element and isotope contents of basalts to the exclusion of the field relations, petrology, major element data, and phase equilibria is as improvident as slaughtering the buffalo for the sake of its tongue. The crust is a cool boundary layer and a density filter, which impedes the upward transfer of hot, dense "primary" picritic and komatiitic liquids. Planetary crusts are sites of large-scale contamination and extensive partial crystallization of primitive melts striving to escape to the surface. Escape of truly unmodified primitive melts to the surface is a rare event, requiring the resolution of daunting problems in chemical and mechanical engineering. Primary status for volumetrically abundant basalts such as mid-ocean ridge basalt, ocean island basalt, and continental flood basalts is denied by their low-pressure cotectic character, first remarked upon on petrological grounds in 1928 and on experimental grounds in 1962. These basalt liquids are products of crystal-liquid separation at low pressure. Primary status for these common basalts is further denied by the phase equilibria of such compositions at elevated pressures, when the required residual mantle mineralogy (magnesian olivine and orthopyroxene) is not stable at the liquidus. It is also denied by the picritic or komatiitic nature of partial melts of candidate upper-mantle compositions at high pressures - a conclusion supported by calculation of the melt composition, which would need to be extracted in order to explain the chemical variation between fertile and residual peridotite in natural ultramafic rock suites. The subtleties of magma chamber partial crystallization processes can produce an astounding array of "pseudospidergrams," a small selection of which have been explored here. Major modification of the trace element geochemistry and trace element ratios, even those of the highly incompatible elements, must always be entertained whenever the evidence suggests the possibility of partial crystallization. At one extreme, periodically recharged, periodically tapped magma chambers might undergo partial crystallization by ˜95% consolidation of a succession of small packets of the magma. Refluxing of the 5% residual melts from such a process into the main body of melt would lead to eventual discrimination between highly incompatible elements in that residual liquid comparable with that otherwise achieved by 0.1 to 0.3% liquid extraction in equilibrium partial melting. Great caution needs to be exercised in attempting the reconstruction of more primitive compositions by addition of troctolite, gabbro, and olivine to apparently primitive lava compositions. Special attention is focussed on the phase equilibria involving olivine, plagioclase (i.e., troctolite), and liquid because a high proportion of erupted basalts carry these two phases as phenocrysts, yet the equilibria are restricted to crustal pressures and are only encountered by wide ranges of basaltic compositions at pressures less than 0.5 GPa. The mere presence of plagioclase phenocrysts may be sufficient to disqualify candidate primitive magmas. Determination of the actual contributions of crustal processes to petrogenesis requires a return to detailed field, experimental, and forensic petrologic studies of individual erupted basalt flows; of a multitude of cumulate gabbros and their contacts; and of upper-mantle outcrops.

Surface-bonded ionic liquid stationary phases in high-performance liquid chromatography--a review.

PubMed

Pino, Verónica; Afonso, Ana M

2012-02-10

Ionic liquids (ILs) are a class of ionic, nonmolecular solvents which remain in liquid state at temperatures below 100°C. ILs possess a variety of properties including low to negligible vapor pressure, high thermal stability, miscibility with water or a variety of organic solvents, and variable viscosity. IL-modified silica as novel high-performance liquid chromatography (HPLC) stationary phases have attracted considerable attention for their differential behavior and low free-silanol activity. Indeed, around 21 surface-confined ionic liquids (SCIL) stationary phases have been developed in the last six years. Their chromatographic behavior has been studied, and, despite the presence of a positive charge on the stationary phase, they showed considerable promise for the separation of neutral solutes (not only basic analytes), when operated in reversed phase mode. This aspect points to the potential for truly multimodal stationary phases. This review attempts to summarize the state-of-the-art about SCIL phases including their preparation, chromatographic behavior, and analytical performance. Copyright © 2011 Elsevier B.V. All rights reserved.

Vapor-Generator Wand Helps To Reveal Airflow Patterns

NASA Technical Reports Server (NTRS)

Robelen, David B.

1993-01-01

In vapor-generator wand, liquid propylene glycol flows into electrically heated stainless-steel tube. Liquid boils in heated tube, and emerging vapor forms dense, smoke-like fog used to make airflow patterns visible. Built in variety of sizes, suitable for uses ranging from tabletop demonstrations to research in wind tunnels. For best viewing, plume illuminated by bright, focused incandescent spotlight at right angle to viewing direction. Viewing further enhanced by coating walls of test chamber with flat, dark color to minimize reflections and increase contrast.

Computation of liquid-liquid equilibria and phase stabilities: implications for RH-dependent gas/particle partitioning of organic-inorganic aerosols

NASA Astrophysics Data System (ADS)

Zuend, A.; Marcolli, C.; Peter, T.; Seinfeld, J. H.

2010-08-01

Semivolatile organic and inorganic aerosol species partition between the gas and aerosol particle phases to maintain thermodynamic equilibrium. Liquid-liquid phase separation into an organic-rich and an aqueous electrolyte phase can occur in the aerosol as a result of the salting-out effect. Such liquid-liquid equilibria (LLE) affect the gas/particle partitioning of the different semivolatile compounds and might significantly alter both particle mass and composition as compared to a one-phase particle. We present a new liquid-liquid equilibrium and gas/particle partitioning model, using as a basis the group-contribution model AIOMFAC (Zuend et al., 2008). This model allows the reliable computation of the liquid-liquid coexistence curve (binodal), corresponding tie-lines, the limit of stability/metastability (spinodal), and further thermodynamic properties of multicomponent systems. Calculations for ternary and multicomponent alcohol/polyol-water-salt mixtures suggest that LLE are a prevalent feature of organic-inorganic aerosol systems. A six-component polyol-water-ammonium sulphate system is used to simulate effects of relative humidity (RH) and the presence of liquid-liquid phase separation on the gas/particle partitioning. RH, salt concentration, and hydrophilicity (water-solubility) are identified as key features in defining the region of a miscibility gap and govern the extent to which compound partitioning is affected by changes in RH. The model predicts that liquid-liquid phase separation can lead to either an increase or decrease in total particulate mass, depending on the overall composition of a system and the particle water content, which is related to the hydrophilicity of the different organic and inorganic compounds. Neglecting non-ideality and liquid-liquid phase separations by assuming an ideal mixture leads to an overestimation of the total particulate mass by up to 30% for the composition and RH range considered in the six-component system simulation. For simplified partitioning parametrizations, we suggest a modified definition of the effective saturation concentration, Cj*, by including water and other inorganics in the absorbing phase. Such a Cj* definition reduces the RH-dependency of the gas/particle partitioning of semivolatile organics in organic-inorganic aerosols by an order of magnitude as compared to the currently accepted definition, which considers the organic species only.

Hard sphere perturbation theory for thermodynamics of soft-sphere model liquid

NASA Astrophysics Data System (ADS)

Mon, K. K.

2001-09-01

It is a long-standing consensus in the literature that hard sphere perturbation theory (HSPT) is not accurate for dense soft sphere model liquids, interacting with repulsive r-n pair potentials for small n. In this paper, we show that if the intrinsic error of HSPT for soft sphere model liquids is accounted for, then this is not completely true. We present results for n=4, 6, 9, 12 which indicate that, even first order variational HSPT can provide free energy upper bounds to within a few percent at densities near freezing when corrected for the intrinsic error of the HSPT.

The identification of liquid ethane in Titan's Ontario Lacus

USGS Publications Warehouse

Brown, R.H.; Soderblom, L.A.; Soderblom, J.M.; Clark, R.N.; Jaumann, R.; Barnes, J.W.; Sotin, Christophe; Buratti, B.; Baines, K.H.; Nicholson, P.D.

2008-01-01

Titan was once thought to have global oceans of light hydrocarbons on its surface, but after 40 close flybys of Titan by the Cassini spacecraft, it has become clear that no such oceans exist. There are, however, features similar to terrestrial lakes and seas, and widespread evidence for fluvial erosion, presumably driven by precipitation of liquid methane from Titan's dense, nitrogen-dominated atmosphere. Here we report infrared spectroscopic data, obtained by the Visual and Infrared Mapping Spectrometer (VIMS) on board the Cassini spacecraft, that strongly indicate that ethane, probably in liquid solution with methane, nitrogen and other low-molecular-mass hydrocarbons, is contained within Titan's Ontario Lacus.

Algebraic perturbation theory for dense liquids with discrete potentials

NASA Astrophysics Data System (ADS)

Adib, Artur B.

2007-06-01

A simple theory for the leading-order correction g1(r) to the structure of a hard-sphere liquid with discrete (e.g., square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively eliminates four-particle correlations from g1(r) with good accuracy at high densities. For the particular case of discrete perturbations, the remaining three-particle correlations can be modeled with a simple volume-exclusion argument, resulting in an algebraic and surprisingly accurate expression for g1(r) . The structure of a discrete “core-softened” model for liquids with anomalous thermodynamic properties is reproduced as an application.

Electrical conductivity calculations in isochorically heated warm dense aluminum

NASA Astrophysics Data System (ADS)

Sperling, P.; Rosmej, S.; Bredow, R.; Fletcher, L. B.; Galtier, E.; Gamboa, E. J.; Lee, H. J.; Reinholz, H.; Röpke, G.; Zastrau, U.; Glenzer, S. H.

2017-07-01

We present a theoretical approach to derive the dc conductivity of warm dense matter (WDM) from x-ray Thomson scattering data. Predictions for the conductivity of aluminum at condensed matter densities are given within a wide temperature range (0.08 {eV}< {k}{{B}}T< 80 eV). Strong correlation effects are taken into account by ionic structure factors. Screening and Pauli blocking are described via a pseudopotential. The results are compared with other theoretical models and simulations as well as with experimental measurements in the liquid metal regime and recent experiments in the WDM regime.

Method and turbine for extracting kinetic energy from a stream of two-phase fluid

NASA Technical Reports Server (NTRS)

Elliott, D. G. (Inventor)

1979-01-01

An axial flow separator turbine is described which includes a number of nozzles for delivering streams of a two-phase fluid along linear paths. A phase separator which responsively separates the vapor and liquid is characterized by concentrically related annuli supported for rotation within the paths. The separator has endless channels for confining the liquid under the influence of centrifugal forces. A vapor turbine fan extracts kinetic energy from the liquid. Angular momentum of both the liquid phase and the vapor phase of the fluid is converted to torque.

Sensitive determination of nitrophenol isomers by reverse-phase high-performance liquid chromatography in conjunction with liquid-liquid extraction

USDA-ARS?s Scientific Manuscript database

A method for the highly sensitive determination of 2-, 3- and 4- nitrophenols was developed using reverse-phase high-performance liquid chromatography (RP-HPLC) with a UV photodiode array detector. Using a reverse-phase column and 40% aqueous acetonitrile as an eluent (i.e. isocratic elution), the i...

Carbon chemistry in dense molecular clouds: Theory and observational constraints

NASA Technical Reports Server (NTRS)

Blake, Geoffrey A.

1990-01-01

For the most part, gas phase models of the chemistry of dense molecular clouds predict the abundances of simple species rather well. However, for larger molecules and even for small systems rich in carbon these models often fail spectacularly. Researchers present a brief review of the basic assumptions and results of large scale modeling of the carbon chemistry in dense molecular clouds. Particular attention is to the influence of the gas phase C/O ratio in molecular clouds, and the likely role grains play in maintaining this ratio as clouds evolve from initially diffuse objects to denser cores with associated stellar and planetary formation. Recent spectral line surveys at centimeter and millimeter wavelengths along with selected observations in the submillimeter have now produced an accurate inventory of the gas phase carbon budget in several different types of molecular clouds, though gaps in our knowledge clearly remain. The constraints these observations place on theoretical models of interstellar chemistry can be used to gain insights into why the models fail, and show also which neglected processes must be included in more complete analyses. Looking toward the future, larger molecules are especially difficult to study both experimentally and theoretically in such dense, cold regions, and some new methods are therefore outlined which may ultimately push the detectability of small carbon chains and rings to much heavier species.

Application of ionic liquid in liquid phase microextraction technology.

PubMed

Han, Dandan; Tang, Baokun; Lee, Yu Ri; Row, Kyung Ho

2012-11-01

Ionic liquids (ILs) are novel nonmolecular solvents. Their unique properties, such as high thermal stability, tunable viscosity, negligible vapor pressure, nonflammability, and good solubility for inorganic and organic compounds, make them excellent candidates as extraction media for a range of microextraction techniques. Many physical properties of ILs can be varied, and the structural design can be tuned to impart the desired functionality and enhance the analyte extraction selectivity, efficiency, and sensitivity. This paper provides an overview of the applications of ILs in liquid phase microextraction technology, such as single-drop microextraction, hollow fiber based liquid phase microextraction, and dispersive liquid-liquid microextraction. The sensitivity, linear calibration range, and detection limits for a range of target analytes in the methods were analyzed to determine the advantages of ILs in liquid phase microextraction. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dense crystalline packings of ellipsoids

NASA Astrophysics Data System (ADS)

Jin, Weiwei; Jiao, Yang; Liu, Lufeng; Yuan, Ye; Li, Shuixiang

2017-03-01

An ellipsoid, the simplest nonspherical shape, has been extensively used as a model for elongated building blocks for a wide spectrum of molecular, colloidal, and granular systems. Yet the densest packing of congruent hard ellipsoids, which is intimately related to the high-density phase of many condensed matter systems, is still an open problem. We discover an unusual family of dense crystalline packings of self-dual ellipsoids (ratios of the semiaxes α : √{α }:1 ), containing 24 particles with a quasi-square-triangular (SQ-TR) tiling arrangement in the fundamental cell. The associated packing density ϕ exceeds that of the densest known SM2 crystal [ A. Donev et al., Phys. Rev. Lett. 92, 255506 (2004), 10.1103/PhysRevLett.92.255506] for aspect ratios α in (1.365, 1.5625), attaining a maximal ϕ ≈0.758 06 ... at α = 93 /64 . We show that the SQ-TR phase derived from these dense packings is thermodynamically stable at high densities over the aforementioned α range and report a phase diagram for self-dual ellipsoids. The discovery of the SQ-TR crystal suggests organizing principles for nonspherical particles and self-assembly of colloidal systems.

Preparation and evaluation of surface-bonded tricationic ionic liquid silica as stationary phases for high-performance liquid chromatography.

PubMed

Qiao, Lizhen; Shi, Xianzhe; Lu, Xin; Xu, Guowang

2015-05-29

Two tricationic ionic liquids were prepared and then bonded onto the surface of supporting silica materials through "thiol-ene" click chemistry as new stationary phases for high-performance liquid chromatography. The obtained columns of tricationic ionic liquids were evaluated respectively in the reversed-phase liquid chromatography (RPLC) mode and hydrophilic interaction liquid chromatography (HILIC) mode, and possess ideal column efficiency of 80,000 plates/m in the RPLC mode with naphthalene as the test solute. The tricationic ionic liquid stationary phases exhibit good hydrophobic and shape selectivity to hydrophobic compounds, and RPLC retention behavior with multiple interactions. In the HILIC mode, the retention and selectivity were evaluated through the efficient separation of nucleosides and bases as well as flavonoids, and the typical HILIC retention behavior was demonstrated by investigating retention changes of hydrophilic solutes with water volume fraction in mobile phase. The results show that the tricationic ionic liquid columns possess great prospect for applications in analysis of hydrophobic and hydrophilic samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Analytical Solution for Interface Flow to a Sink With an Upconed Saline Water Lens: Strack's Regimes Revisited

NASA Astrophysics Data System (ADS)

Kacimov, A. R.; Obnosov, Y. V.

2018-01-01

A study is made of a steady, two-dimensional groundwater flow with a horizontal well (drain), which pumps out freshwater from an aquifer sandwiched between a horizontal bedrock and ponded soil surface, and containing a lens-shaped static volume of a heavier saline water (DNAPL-dense nonaqueous phase liquid) as a free surface. For flow toward a line sink, an explicit analytical solution is obtained by a conformal mapping of the hexagon in the complex potential plane onto a reference plane and the Keldysh-Sedov integral representation of a mixed boundary-value problem for a complex physical coordinate. The interface is found as a function of the pumping rate, the well locus, the ratio of liquid densities, and the hydraulic heads at the soil surface and in the well. The shape with two inflexion points and fronts varies from a small-thickness bedrock-spread pancake to a critical curvilinear triangle, which cusps toward the sink. The problem is mathematically solvable in a relatively narrow band of geometric and hydraulic parameters. A similar analytic solution for a static heavy bubble confined by a closed-curve interface (no contact with the bedrock) is outlined as an illustration of the method to solve a mixed boundary-value problem.

Bimetallic magnetic PtPd-nanoparticles as efficient catalyst for PAH removal from liquid media

NASA Astrophysics Data System (ADS)

Zanato, A. F. S.; Silva, V. C.; Lima, D. A.; Jacinto, M. J.

2017-11-01

Monometallic Pd- and bimetallic PtPd-nanoparticles supported on a mesoporous magnetic magnetite@silica matrix resembling a core-shell structure (Fe3O4@mSiO2) have been fabricated. The material was characterized by transmission electron microscope (TEM), high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM), X-ray photoelectron spectra (XPS), energy dispersive spectroscopy (EDS) and inductively coupled plasma mass spectrometry (ICP-MS). The catalysts were applied in the removal of anthracene from liquid phase via catalytic hydrogenation. It was found that anthracene as a model compound could be completely converted into the partially hydrogenated species by the monometallic and bimetallic solids. However, during the recycling study the bimetallic material (Fe3O4@mSiO2PtPd-) showed an enhanced activity towards anthracene removal compared with the monometallic materials. A single portion of the PtPd-based catalyst can be used up to 11 times in the hydrogenation of anthracene under mild conditions (6 atm of H2, 75 °C, 20 min). Thanks to the presence of a dense magnetic core, the catalysts were capable of responding to an applied external magnetic field and once the reaction was completed, catalyst/product separation was straightforward.

A Liquid Optical Phase Shifter with an Embedded Electrowetting Actuator

PubMed Central

Ashtiani, Alireza Ousati; Jiang, Hongrui

2017-01-01

We demonstrate an electrowetting-based liquid optical phase shifter. The phase shifter consists of two immiscible liquid layers with different refractive indices. Sandwiched between the two liquids is a rigid membrane that moves freely along the optical axis and supported by a compliant surround. When applied with a pressure, the thicknesses of both liquid layers change, which induces a difference in optical path, resulting in a phase shift. A miniaturized electrowetting-based actuator is used to produce hydraulic pressure. A multi-layered SU8 bonded structure was fabricated. A phase shift of 171° was observed when the device was incorporated in a Mach-Zehnder interferometer and driven with 100 V. PMID:29038640

Comparing the catalytic oxidation of ethanol at the solid-gas and solid-liquid interfaces over size-controlled Pt nanoparticles: striking differences in kinetics and mechanism.

PubMed

Sapi, Andras; Liu, Fudong; Cai, Xiaojun; Thompson, Christopher M; Wang, Hailiang; An, Kwangjin; Krier, James M; Somorjai, Gabor A

2014-11-12

Pt nanoparticles with controlled size (2, 4, and 6 nm) are synthesized and tested in ethanol oxidation by molecular oxygen at 60 °C to acetaldehyde and carbon dioxide both in the gas and liquid phases. The turnover frequency of the reaction is ∼80 times faster, and the activation energy is ∼5 times higher at the gas-solid interface compared to the liquid-solid interface. The catalytic activity is highly dependent on the size of the Pt nanoparticles; however, the selectivity is not size sensitive. Acetaldehyde is the main product in both media, while twice as much carbon dioxide was observed in the gas phase compared to the liquid phase. Added water boosts the reaction in the liquid phase; however, it acts as an inhibitor in the gas phase. The more water vapor was added, the more carbon dioxide was formed in the gas phase, while the selectivity was not affected by the concentration of the water in the liquid phase. The differences in the reaction kinetics of the solid-gas and solid-liquid interfaces can be attributed to the molecular orientation deviation of the ethanol molecules on the Pt surface in the gas and liquid phases as evidenced by sum frequency generation vibrational spectroscopy.

Gas chromatography on wall-coated open-tubular columns with ionic liquid stationary phases.

PubMed

Poole, Colin F; Lenca, Nicole

2014-08-29

Ionic liquids have moved from novel to practical stationary phases for gas chromatography with an increasing portfolio of applications. Ionic liquids complement conventional stationary phases because of a combination of thermophysical and solvation properties that only exist for ionic solvents. Their high thermal stability and low vapor pressure makes them suitable as polar stationary phases for separations requiring high temperatures. Ionic liquids are good solvents and can be used to expand the chemical space for separations. They are the only stationary phases with significant hydrogen-bond acidity in common use; they extend the hydrogen-bond basicity of conventional stationary phases; they are as dipolar/polarizable as the most polar conventional stationary phases; and some ionic liquids are significantly less cohesive than conventional polar stationary phases. Problems in column coating techniques and related low column performance, column activity, and stationary phase reactivity require further exploration as the reasons for these features are poorly understood at present. Copyright © 2014 Elsevier B.V. All rights reserved.

Method and apparatus for the removal of bioconversion of constituents of organic liquids

DOEpatents

Scott, Timothy; Scott, Charles D.

1994-01-01

A method and apparatus for the removal or conversion of constituents from bulk organic liquids. A countercurrent biphasic bioreactor system is utilized to disperse and recoalesce a biocatalyst contained in the aqueous liquid phase into the organic liquid phase containing the constituent. Two transient, high-intensity electrical fields rupture the aqueous drops into a plurality of microdroplets and induce continuous coalescence and redispersion as the microdroplets travel through the organic phase, thus increasing surface area. As the aqueous microdroplets progress through the organic phase, the biocatalyst then reacts with the constituent to produce a product which is then removed from the bioreactor in the aqueous phase or retained in the organic phase. The organic liquid, now free of the original constituents, is ready for immediate use or further processing.

Effects of microstructures on the performance of rare-earth-free MnBi magnetic materials and magnets

NASA Astrophysics Data System (ADS)

Nguyen, Vuong Van; Nguyen, Truong Xuan

2018-03-01

Since the solidification of MnBi alloys is peritectic, their microstructures always consist of the starting phases of Mn and Bi and the productive phase MnBi. The high performance of MnBi bulk magnets requires appropriate routes of preparing MnBi powders of high spontaneous magnetization Ms and large coercivity iHc as well a route of producing bulk magnets thereof. In these routes, the microstructures of arc-melted alloys, annealed alloys and magnets strongly related to the quality of powders and the performance of magnets. The paper proves that: i) The microstructure of fine Mn-inclusions embedded in the matrix of Bi is preferred for arc-melted alloys to realize the rapid evolution of the ferromagnetic phase inside them during their sequent annealing process; ii) The time-controlled annealing process plays a key role in controlling the microstructure with the main ferromagnetic phase matrix, in which the rest of Mn and the Bi accumulations are embedded; iii) The cold (in-liquid-nitrogen) ball milling annealed alloys is required for preparing a high quality powders with the preferred sub-micrometer microstructure without a Bi-decomposition; iv) The short-time warm compaction is crucial to fabricate dense, highly textured bulk magnets with the micrometer microstructure. The realization and control of these preferred microstructures figured in these routes enhance the chance of preparing MnBi bulk magnets with the energy product (BH)max larger than 8 MGOe.

A Modified MuDPIT Separation Identified 4,488 Proteins in a System Wide Analysis of Quiescence in Yeast

PubMed Central

Webb, Kristofor J.; Xu, Tao; Park, Sung Kyu; Yates, John R.

2013-01-01

A modified multidimensional protein identification technology (MudPIT) separation was coupled to an LTQ Orbitrap Velos mass spectrometer and used to rapidly identify the near complete yeast proteome from a whole cell tryptic digest. This modified on-line two dimensional liquid chromatography separation consists of 39 strong cation exchange steps followed by a short 18.5 min reversed-phase (RP) gradient. A total of 4,269 protein identifications were made from 4,189 distinguishable protein families from yeast during log phase growth. The “Micro” MudPIT separation performed as well as a standard MudPIT separation in 40% less gradient time. The majority of the yeast proteome can now be routinely covered in less than a days’ time with high reproducibility and sensitivity. The newly devised separation method was used to detect changes in protein expression during cellular quiescence in yeast. An enrichment in the GO annotations ‘oxidation reduction’, ‘catabolic processing’ and ‘cellular response to oxidative stress’ was seen in the quiescent cellular fraction, consistent with their long lived stress resistant phenotypes. Heterogeneity was observed in the stationary phase fraction with a less dense cell population showing reductions in KEGG pathway categories of ‘Ribosome’ and ‘Proteasome’, further defining the complex nature of yeast populations present during stationary phase growth. In total 4,488 distinguishable protein families were identified in all cellular conditions tested. PMID:23540446

Liquid hyperpolarized 129Xe produced by phase exchange in a convection cell

NASA Astrophysics Data System (ADS)

Su, T.; Samuelson, G. L.; Morgan, S. W.; Laicher, G.; Saam, B.

2004-09-01

We present a method for the production of liquid hyperpolarized Xe129 that employs spin-exchange optical pumping in the gas phase and subsequent phase exchange with a column of xenon liquid. A convection loop inside the sealed glass cell allows efficient transfer of magnetization between the gas and liquid phases. By condensing to liquid a large fraction of the sample, this scheme permits the polarization of many more Xe129 atoms in a given sealed-cell volume than would otherwise be possible. We have thus far produced a steady-state polarization of 8% in 0.1mL of liquid with a characteristic rise time of ≈15min.

Flow-pattern identification and nonlinear dynamics of gas-liquid two-phase flow in complex networks.

PubMed

Gao, Zhongke; Jin, Ningde

2009-06-01

The identification of flow pattern is a basic and important issue in multiphase systems. Because of the complexity of phase interaction in gas-liquid two-phase flow, it is difficult to discern its flow pattern objectively. In this paper, we make a systematic study on the vertical upward gas-liquid two-phase flow using complex network. Three unique network construction methods are proposed to build three types of networks, i.e., flow pattern complex network (FPCN), fluid dynamic complex network (FDCN), and fluid structure complex network (FSCN). Through detecting the community structure of FPCN by the community-detection algorithm based on K -mean clustering, useful and interesting results are found which can be used for identifying five vertical upward gas-liquid two-phase flow patterns. To investigate the dynamic characteristics of gas-liquid two-phase flow, we construct 50 FDCNs under different flow conditions, and find that the power-law exponent and the network information entropy, which are sensitive to the flow pattern transition, can both characterize the nonlinear dynamics of gas-liquid two-phase flow. Furthermore, we construct FSCN and demonstrate how network statistic can be used to reveal the fluid structure of gas-liquid two-phase flow. In this paper, from a different perspective, we not only introduce complex network theory to the study of gas-liquid two-phase flow but also indicate that complex network may be a powerful tool for exploring nonlinear time series in practice.

Purification of flavonoids from licorice using an off-line preparative two-dimensional normal-phase liquid chromatography/reversed-phase liquid chromatography method.

PubMed

Fan, Yunpeng; Fu, Yanhui; Fu, Qing; Cai, Jianfeng; Xin, Huaxia; Dai, Mei; Jin, Yu

2016-07-01

An orthogonal (71.9%) off-line preparative two-dimensional normal-phase liquid chromatography/reversed-phase liquid chromatography method coupled with effective sample pretreatment was developed for separation and purification of flavonoids from licorice. Most of the nonflavonoids were firstly removed using a self-made Click TE-Cys (60 μm) solid-phase extraction. In the first dimension, an industrial grade preparative chromatography was employed to purify the crude flavonoids. Click TE-Cys (10 μm) was selected as the stationary phase that provided an excellent separation with high reproducibility. Ethyl acetate/ethanol was selected as the mobile phase owing to their excellent solubility for flavonoids. Flavonoids co-eluted in the first dimension were selected for further purification using reversed-phase liquid chromatography. Multiple compounds could be isolated from one normal-phase fraction and some compounds with bad resolution in one-dimensional liquid chromatography could be prepared in this two-dimensional system owing to the orthogonal separation. Moreover, this two-dimensional liquid chromatography method was beneficial for the preparation of relatively trace flavonoid compounds, which were enriched in the first dimension and further purified in the second dimension. Totally, 24 flavonoid compounds with high purity were obtained. The results demonstrated that the off-line two-dimensional liquid chromatography method was effective for the preparative separation and purification of flavonoids from licorice. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dense and high-stability Ti2AlN MAX phase coatings prepared by the combined cathodic arc/sputter technique

NASA Astrophysics Data System (ADS)

Wang, Zhenyu; Liu, Jingzhou; Wang, Li; Li, Xiaowei; Ke, Peiling; Wang, Aiying

2017-02-01

Ti2AlN belongs to a family of ternary nano-laminate alloys known as the MAX phases, which exhibit a unique combination of metallic and ceramic properties. In the present work, the dense and high-stability Ti2AlN coating has been successfully prepared through the combined cathodic arc/sputter deposition, followed by heat post-treatment. It was found that the as-deposited Ti-Al-N coating behaved a multilayer structure, where (Ti, N)-rich layer and Al-rich layer grew alternately, with a mixed phase constitution of TiN and TiAlx. After annealing at 800 °C under vacuum condition for 1.5 h, although the multilayer structure still was found, part of multilayer interfaces became indistinct and disappeared. In particular, the thickness of the Al-rich layer decreased in contrast to that of as-deposited coating due to the inner diffusion of the Al element. Moreover, the Ti2AlN MAX phase emerged as the major phase in the annealed coatings and its formation mechanism was also discussed in this study. The vacuum thermal analysis indicated that the formed Ti2AlN MAX phase exhibited a high-stability, which was mainly benefited from the large thickness and the dense structure. This advanced technique based on the combined cathodic arc/sputter method could be extended to deposit other MAX phase coatings with tailored high performance like good thermal stability, high corrosion and oxidation resistance etc. for the next protective coating materials.

Thermodynamic functions, freezing transition, and phase diagram of dense carbon-oxygen mixtures in white dwarfs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iyetomi, H.; Ogata, S.; Ichimaru, S.

1989-07-01

Equations of state for dense carbon-oxygen (C-O) binary-ionic mixtures (BIM's) appropriate to the interiors of white dwarfs are investigated through Monte Carlo simulations, by solution of relevant integral equations andvariational calculations in the density-functional formalism. It is thereby shown that the internal energies of the C-O BIM solids and fluids both obey precisely the linear mixing formulas. We then present an accurate calculation of the phase diagram associated with freezing transitions in such BIM materials, resulting in a novel prediction of an azeotropic diagram. Discontinuities of the mass density across the azeotropic phase boundaries areevaluated numerically for application to amore » study of white-dwarf evolution.« less

Mixed Stationary Liquid Phases for Gas-Liquid Chromatography.

ERIC Educational Resources Information Center

Koury, Albert M.; Parcher, Jon F.

1979-01-01

Describes a laboratory technique for use in an undergraduate instrumental analysis course that, using the interpretation of window diagrams, prepares a mixed liquid phase column for gas-liquid chromatography. A detailed procedure is provided. (BT)

LIGHT NONAQUEOUS PHASE LIQUIDS

EPA Science Inventory

Nonaqueous phase liquids (NAPLS) are hydrocarbons that exist as a separate, immiscible phase when in contact with water and/or air. ifferences in the physical and chemical properties of water and NAPL result in the formation of a physical interface between the liquids which preve...

PCE DNAPL degradation using ferrous iron solid mixture (ISM).

PubMed

Lee, Hong-Kyun; Do, Si-Hyun; Batchelor, Bill; Jo, Young-Hoon; Kong, Sung-Ho

2009-08-01

Ferrous iron solid mixture (ISM) containing Fe(II), Fe(III), and Cl was synthesized for degradation of tetrachloroethene (PCE) as a dense non-aqueous phase liquid (DNAPL), and an extraction procedure was developed to measure concentrations of PCE in both the aqueous and non-aqueous phases. This procedure included adding methanol along with hexane in order to achieve the high extraction efficiency, particularly when solids were present. When PCE was present as DNAPL, dechlorination of PCE was observed to decrease linearly with respect to the total PCE concentration (aqueous and non-aqueous phases) and the concentration of PCE in the aqueous phase was observed to be approximately constant. In the absence of DNAPL, the rate of PCE degradation was observed to be the first-order with respect to the concentration in the aqueous phase. A kinetic model was developed to describe these observations and it was able to fit experimental data well. Increasing the concentration of Fe(II) in ISM increased the values of rate constants, while increasing the concentration of PCE DNAPL did not affect the value of the rate constant. The reactivity of ISM for PCE dechlorination might be close to that of Friedel's salt, and the accumulation of trichloroethylene (TCE) might imply the lower reactivity of ISM for degradation of TCE or the necessity of large amount of Fe(II) in ISM. TCE (the major chlorinated intermediate), ethene (the major non-chlorinated compound), acetylene and ethane were detected, which implied that both hydrogenolysis and beta-elimination were pathways of PCE DNAPL degradation on ISM.

Consequences of CO2 solubility for hydrate formation from carbon dioxide containing water and other impurities.

PubMed

Kvamme, Bjørn; Kuznetsova, Tatiana; Jensen, Bjørnar; Stensholt, Sigvat; Bauman, Jordan; Sjøblom, Sara; Nes Lervik, Kim

2014-05-14

Deciding on the upper bound of water content permissible in a stream of dense carbon dioxide under pipeline transport conditions without facing the risks of hydrate formation is a complex issue. In this work, we outline and analyze ten primary routes of hydrate formation inside a rusty pipeline, with hydrogen sulfide, methane, argon, and nitrogen as additional impurities. A comprehensive treatment of equilibrium absolute thermodynamics as applied to multiple hydrate phase transitions is provided. We also discuss in detail the implications of the Gibbs phase rule that make it necessary to consider non-equilibrium thermodynamics. The analysis of hydrate formation risk has been revised for the dominant routes, including the one traditionally considered in industrial practice and hydrate calculators. The application of absolute thermodynamics with parameters derived from atomistic simulations leads to several important conclusions regarding the impact of hydrogen sulfide. When present at studied concentrations below 5 mol%, the presence of hydrogen sulfide will only support the carbon-dioxide-dominated hydrate formation on the phase interface between liquid water and hydrate formers entering from the carbon dioxide phase. This is in contrast to a homogeneous hydrate nucleation and growth inside the aqueous solution bulk. Our case studies indicate that hydrogen sulfide at higher than 0.1 mol% concentration in carbon dioxide can lead to growth of multiple hydrate phases immediately adjacent to the adsorbed water layers. We conclude that hydrate formation via water adsorption on rusty pipeline walls will be the dominant contributor to the hydrate formation risk, with initial concentration of hydrogen sulfide being the critical factor.

Optical isotropy and iridescence in a smectic 'blue phase'.

PubMed

Yamamoto, Jun; Nishiyama, Isa; Inoue, Miyoshi; Yokoyama, Hiroshi

2005-09-22

When liquid crystal molecules are chiral, the twisted structure competes with spatially uniform liquid crystalline orders, resulting in a variety of modulated liquid crystal phases, such as the cholesteric blue phase, twist grain boundary and smectic blue phases. Here we report a liquid crystal smectic blue phase (SmBP(iso)), formed from a two-component mixture containing a chiral monomer and a 'twin' containing two repeat units of the first molecule connected by a linear hydrocarbon spacer. The phase exhibits the simultaneous presence of finite local-order parameters of helices and smectic layers, without any discontinuity on a mesoscopic length scale. The anomalous softening of elasticity due to a strong reduction in entropy caused by mixing the monomer and the twin permits the seamless coexistence of these two competing liquid crystal orders. The new phase spontaneously exhibits an optically isotropic but uniformly iridescent colour and automatically acquires spherical symmetry, so that the associated photonic band gap maintains the same symmetry despite the local liquid crystalline order. We expect a range of unusual optical transmission properties based on this three-dimensional isotropic structure, and complete tunability due to the intrinsic softness and responsiveness of the liquid crystalline order against external fields.

Control of ice chromatographic retention mechanism by changing temperature and dopant concentration.

PubMed

Tasaki, Yuiko; Okada, Tetsuo

2011-12-15

A liquid phase coexists with solid water ice in a typical binary system, such as NaCl-water, in the temperature range between the freezing point and the eutectic point (t(eu)) of the system. In ice chromatography with salt-doped ice as the stationary phase, both solid and liquid phase can contribute to solute retention in different fashions; that is, the solid ice surface acts as an adsorbent, while a solute can be partitioned into the liquid phase. Thus, both adsorption and partition mechanisms can be utilized for ice chromatographic separation. An important feature in this approach is that the liquid phase volume can be varied by changing the temperature and the concentration of a salt incorporated into the ice stationary phase. Thus, we can control the relative contribution from the partition mechanism in the entire retention because the liquid phase volume can be estimated from the freezing depression curve. Separation selectivity can thereby be modified. The applicability of this concept has been confirmed for the solutes of different adsorption and partition abilities. The predicted retention based on thermodynamics basically agrees well with the corresponding experimental retention. However, one important inconsistency has been found. The calculation predicts a step-like discontinuity of the solute retention at t(eu) because the phase diagram suggests that the liquid phase abruptly appears at t(eu) when the temperature increases. In contrast, the corresponding experimental plots are continuous over the wider range including the subeutectic temperatures. This discrepancy is explained by the existence of the liquid phase below t(eu). A difference between predicted and measured retention factors allows the estimation of the volume of the subeutectic liquid phase.

As-Cast Icosashedral Quasicrystals in Ti-Zr-Ni Alloys

NASA Astrophysics Data System (ADS)

Lee, Geun Woo; Gangopadhyay, Anup K.; Kelton, Kenneth F.

2002-03-01

Most Ti-based icosahedral quasicrystals (i-phase) obtained by rapid quenching from the melt are metastable and disordered. In contrast, the Ti-Zr-Ni i-phase prepared by low temperature annealing is stable and better ordered. This i-phase is formed by a solid-state transformation from C14 Laves phase and α (Ti/Zr) solid-solution phase. It has not been possible previously to grow this i-phase directly from the liquid. Here, the nucleation and growth of the i-phase from the liquid in as-cast Ti-Zr-Ni alloys is reported. Pentagonal growth ledges in as-cast Ti-Zr-Ni ingots are clearly observed. Transmission electron microscopy and x-ray diffraction studies confirm the phase identity. Differential scanning calorimetry measurements show an endothermic transformation from the i-phase to a phase mixture of the C14 Laves and solid-solution phases, demonstrating that this i-phase is also stable. The short time that the liquid remains in the Laves phase-forming-field and the higher nucleation rate of the i-phase, owing to the presumed similarity between the local atomic structures of the i-phase and liquid, allows the i-phase to nucleate and grow directly from the liquid. Container-less solidification studies using electrostatic levitation (ESL) techniques support this conclusion.

Development of an Efficient Meso- scale Multi-phase Flow Solver in Nuclear Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Taehun

2015-10-20

The proposed research aims at formulating a predictive high-order Lattice Boltzmann Equation for multi-phase flows relevant to nuclear energy related application - namely, saturated and sub-cooled boiling in reactors, and liquid- liquid mixing and extraction for fuel cycle separation. An efficient flow solver will be developed based on the Finite Element based Lattice Boltzmann Method (FE- LBM), accounting for phase-change heat transfer and capable of treating multiple phases over length scales from the submicron to the meter. A thermal LBM will be developed in order to handle adjustable Prandtl number, arbitrary specific heat ratio, a wide range of temperature variations,more » better numerical stability during liquid-vapor phase change, and full thermo-hydrodynamic consistency. Two-phase FE-LBM will be extended to liquid–liquid–gas multi-phase flows for application to high-fidelity simulations building up from the meso-scale up to the equipment sub-component scale. While several relevant applications exist, the initial applications for demonstration of the efficient methods to be developed as part of this project include numerical investigations of Critical Heat Flux (CHF) phenomena in nuclear reactor fuel bundles, and liquid-liquid mixing and interfacial area generation for liquid-liquid separations. In addition, targeted experiments will be conducted for validation of this advanced multi-phase model.« less

SOLID-LIQUID PHASE TRANSFER CATALYZED SYNTHESIS OF CINNAMYL ACETATE-KINETICS AND ANALYSIS OF FACTORS AFFECTING THE REACTION IN A BATCH REACTOR

EPA Science Inventory

The use of solid-liquid phase transfer catalysis has an advantage of carrying out reaction between two immiscible substrates, one in solid phase and the other in liquid phase, with high selectivity and at relatively low temperatures. In this study we investigated the synthesis ci...

[High-performance liquid-liquid chromatography in beverage analysis].

PubMed

Bricout, J; Koziet, Y; de Carpentrie, B

1978-01-01

Liquid liquid chromatography was performed with columns packed with stationary phases chemically bonded to silica microparticules. These columns show a high efficiency and are used very easily. Flavouring compounds like aromatic aldehydes which have a low volatility were analyzed in brandy using a polar phase alkylnitrile. Sapid substances like amarogentin in Gentiana lutea or glyryrrhizin in Glycyrrhiza glabra were determined by reversed phase chromatography. Finally ionizable substances like synthetic dyes can be analyzed by paired ion chromatography witha non polar stationary phase.

Dispersed bubble reactor for enhanced gas-liquid-solids contact and mass transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vimalchand, Pannalal; Liu, Guohai; Peng, WanWang

An apparatus to promote gas-liquid contact and facilitate enhanced mass transfer. The dispersed bubble reactor (DBR) operates in the dispersed bubble flow regime to selectively absorb gas phase constituents into the liquid phase. The dispersion is achieved by shearing the large inlet gas bubbles into fine bubbles with circulating liquid and additional pumped liquid solvent when necessary. The DBR is capable of handling precipitates that may form during absorption or fine catalysts that may be necessary to promote liquid phase reactions. The DBR can be configured with multistage counter current flow sections by inserting concentric cylindrical sections into the risermore » to facilitate annular flow. While the DBR can absorb CO.sub.2 in liquid solvents that may lead to precipitates at high loadings, it is equally capable of handling many different types of chemical processes involving solids (precipitates/catalysts) along with gas and liquid phases.« less

Densely quaternized poly(arylene ether)s with distinct phase separation for highly anion-conductive membranes

NASA Astrophysics Data System (ADS)

Hu, Yuanfang; Wang, Bingxi; Li, Xiao; Chen, Dongyang; Zhang, Weiying

2018-05-01

To develop high performance anion exchange membranes (AEMs), a novel bisphenol monomer bearing eight benzylmethyl groups at the outer edge of the molecule was synthesized, which after condensation polymerization with various amounts of 4,4‧-dihydroxydiphenylsulfone and 4,4‧-difluorobenzophenone yielded novel poly(arylene ether)s with densely located benzylmethyl groups. These benzylmethyl groups were then converted to quaternary ammonium groups by radical-initiated bromination and quaternization in tandem, leading to the emergence of densely quaternized poly(arylene ether sulfone)s (QA-PAEs) with controlled ion exchange capacities (IECs) ranging from 1.61 to 2.32 mmol g-1. Both small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) studies revealed distinct phase separation in the QA-PAEs. The QA-PAE-40 with an IEC of 2.32 mmol g-1 exhibited a Br- conductivity of 9.2 mS cm-1 and a SO42- conductivity of 14.0 mS cm-1 at room temperature, much higher than those of a control membrane with a similar IEC but without obvious phase separation. Therefore, phase separation of AEMs was validated to be advantageous for the efficient conducting of anions. The experimental results also showed that the QA-PAEs were promising AEM materials, especially for non-alkaline applications.

Thermal Transport at Solid-Liquid Interfaces: High Pressure Facilitates Heat Flow through Nonlocal Liquid Structuring.

PubMed

Han, Haoxue; Mérabia, Samy; Müller-Plathe, Florian

2017-05-04

The integration of three-dimensional microelectronics is hampered by overheating issues inherent to state-of-the-art integrated circuits. Fundamental understanding of heat transfer across soft-solid interfaces is important for developing efficient heat dissipation capabilities. At the microscopic scale, the formation of a dense liquid layer at the solid-liquid interface decreases the interfacial heat resistance. We show through molecular dynamics simulations of n-perfluorohexane on a generic wettable surface that enhancement of the liquid structure beyond a single adsorbed layer drastically enhances interfacial heat conductance. Pressure is used to control the extent of the liquid layer structure. The interfacial thermal conductance increases with pressure values up to 16.2 MPa at room temperature. Furthermore, it is shown that liquid structuring enhances the heat-transfer rate of high-energy lattice waves by broadening the transmission peaks in the heat flux spectrum. Our results show that pressure is an important external parameter that may be used to control interfacial heat conductance at solid-soft interfaces.

Heterogeneous ice nucleation on phase-separated organic-sulfate particles: effect of liquid vs. glassy coatings

NASA Astrophysics Data System (ADS)

Schill, G. P.; Tolbert, M. A.

2013-05-01

Atmospheric ice nucleation on aerosol particles relevant to cirrus clouds remains one of the least understood processes in the atmosphere. Upper tropospheric aerosols as well as sub-visible cirrus residues are known to be enhanced in both sulfates and organics. The hygroscopic phase transitions of organic-sulfate particles can have an impact on both the cirrus cloud formation mechanism and resulting cloud microphysical properties. In addition to deliquescence and efflorescence, organic-sulfate particles are known to undergo another phase transition known as liquid-liquid phase separation. The ice nucleation properties of particles that have undergone liquid-liquid phase separation are unknown. Here, Raman microscopy coupled with an environmental cell was used to study the low temperature deliquescence, efflorescence, and liquid-liquid phase separation behavior of 2 : 1 mixtures of organic polyols (1,2,6-hexanetriol and 1 : 1 1,2,6-hexanetriol + 2,2,6,6-tetrakis(hydroxymethyl)cyclohexanol) and ammonium sulfate from 240-265 K. Further, the ice nucleation efficiency of these organic-sulfate systems after liquid-liquid phase separation and efflorescence was investigated from 210-235 K. Raman mapping and volume-geometry analysis indicate that these particles contain solid ammonium sulfate cores fully engulfed in organic shells. For the ice nucleation experiments, we find that if the organic coatings are liquid, water vapor diffuses through the shell and ice nucleates on the ammonium sulfate core. In this case, the coatings minimally affect the ice nucleation efficiency of ammonium sulfate. In contrast, if the coatings become semi-solid or glassy, ice instead nucleates on the organic shell. Consistent with recent findings that glasses can be efficient ice nuclei, the phase-separated particles are nearly as efficient at ice nucleation as pure crystalline ammonium sulfate.

Heterogeneous ice nucleation on phase-separated organic-sulfate particles: effect of liquid vs. glassy coatings

NASA Astrophysics Data System (ADS)

Schill, G. P.; Tolbert, M. A.

2012-12-01

Atmospheric ice nucleation on aerosol particles relevant to cirrus clouds remains one of the least understood processes in the atmosphere. Upper tropospheric aerosols as well as sub-visible cirrus residues are known to be enhanced in both sulfates and organics. The hygroscopic phase transitions of organic-sulfate particles can have an impact on both the cirrus cloud formation mechanism and resulting cloud microphysical properties. In addition to deliquescence and efflorescence, organic-sulfate particles are known to undergo another phase transition known as liquid-liquid phase separation. The ice nucleation properties of particles that have undergone liquid-liquid phase separation are unknown. Here, Raman microscopy coupled with an environmental cell was used to study the low temperature deliquescence, efflorescence, and liquid-liquid phase separation behavior of 2:1 mixtures of organic polyols (1,2,6-hexanetriol, and 1:1 1,2,6-hexanetriol +2,2,6,6-tetrakis(hydroxymethyl)cycohexanol) and ammonium sulfate from 240-265 K. Further, the ice nucleation efficiency of these organic-sulfate systems after liquid-liquid phase separation and efflorescence was investigated from 210-235 K. Raman mapping and volume-geometry analysis indicates that these particles contain solid ammonium sulfate cores fully engulfed in organic shells. For the ice nucleation experiments, we find that if the organic coatings are liquid, water vapor diffuses through the shell and ice nucleates on the ammonium sulfate core. In this case, the coatings minimally affect the ice nucleation efficiency of ammonium sulfate. In contrast, if the coatings become semi-solid or glassy, ice instead nucleates on the organic shell. Consistent with recent findings that glasses can be efficient ice nuclei, the phase separated particles are nearly as efficient at ice nucleation as pure crystalline ammonium sulfate.

The in-situ decontamination of sand and gravel aquifers by chemically enhanced solubilization of multiple-compound DNAPLs with surfactant solutions: Phase 1 -- Laboratory and pilot field-scale testing and Phase 2 -- Solubilization test and partitioning and interwell tracer tests. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1997-10-24

Laboratory, numerical simulation, and field studies have been conducted to assess the potential use of micellar-surfactant solutions to solubilize chlorinated solvents contaminating sand and gravel aquifers. Ninety-nine surfactants were screened for their ability to solubilize trichloroethene (TCE), perchloroethylene (PCE), and carbon tetrachloride (CTET). The field test was conducted in the alluvial aquifer which is located 20 to 30 meters beneath a vapor degreasing operation at Paducah Gaseous Diffusion Plant. This aquifer has become contaminated with TCE due to leakage of perhaps 40,000 liters of TCE, which has generated a plume of dissolved TCE extending throughout an area of approximately 3more » km{sup 2} in the aquifer. Most of the TCE is believed to be present in the overlying lacustrine deposits and in the aquifer itself as a dense, non-aqueous phase liquid, or DNAPL. The objective of the field test was to assess the efficacy of the surfactant for in situ TCE solubilization. Although the test demonstrated that sorbitan monooleate was unsuitable as a solubilizer in this aquifer, the single-well test was demonstrated to be a viable method for the in situ testing of surfactants or cosolvents prior to proceeding to full-scale remediation.« less

Blast wave mitigation by dry aqueous foams

NASA Astrophysics Data System (ADS)

Del Prete, E.; Chinnayya, A.; Domergue, L.; Hadjadj, A.; Haas, J.-F.

2013-02-01

This paper presents results of experiments and numerical modeling on the mitigation of blast waves using dry aqueous foams. The multiphase formalism is used to model the dry aqueous foam as a dense non-equilibrium two-phase medium as well as its interaction with the high explosion detonation products. New experiments have been performed to study the mass scaling effects. The experimental as well as the numerical results, which are in good agreement, show that more than an order of magnitude reduction in the peak overpressure ratio can be achieved. The positive impulse reduction is less marked than the overpressures. The Hopkinson scaling is also found to hold particularly at larger scales for these two blast parameters. Furthermore, momentum and heat transfers, which have the main dominant role in the mitigation process, are shown to modify significantly the classical blast wave profile and thereafter to disperse the energy from the peak overpressure due to the induced relaxation zone. In addition, the velocity of the fireball, which acts as a piston on its environment, is smaller than in air. Moreover, the greater inertia of the liquid phase tends to project the aqueous foam far from the fireball. The created gap tempers the amplitude of the transmitted shock wave to the aqueous foam. As a consequence, this results in a lowering of blast wave parameters of the two-phase spherical decaying shock wave.

Method and apparatus for the removal or bioconversion of constituents of organic liquids

DOEpatents

Scott, T.; Scott, C.D.

1994-10-25

A method and apparatus are disclosed for the removal or conversion of constituents from bulk organic liquids. A countercurrent biphasic bioreactor system is utilized to disperse and recoalesce a biocatalyst contained in the aqueous liquid phase into the organic liquid phase containing the constituent. Two transient, high-intensity electrical fields rupture the aqueous drops into a plurality of microdroplets and induce continuous coalescence and redispersion as the microdroplets travel through the organic phase, thus increasing surface area. As the aqueous microdroplets progress through the organic phase, the biocatalyst then reacts with the constituent to produce a product which is then removed from the bioreactor in the aqueous phase or retained in the organic phase. The organic liquid, now free of the original constituents, is ready for immediate use or further processing. 1 fig.

Gas-Liquid Processing in Microchannels

DOE Office of Scientific and Technical Information (OSTI.GOV)

TeGrotenhuis, Ward E.; Stenkamp, Victoria S.; Twitchell, Alvin

Processing gases and liquids together in microchannels having at least one dimension <1 mm has unique advantages for rapid heat and mass transfer. One approach for managing the two phases is to use porous structures as wicks within microchannels to segregate the liquid phase from the gas phase. Gas-liquid processing is accomplished by providing a gas flow path and inducing flow of the liquid phase through or along the wick under an induced pressure gradient. A variety of unit operations are enabled, including phase separation, partial condensation, absorption, desorption, and distillation. Results are reported of an investigation of microchannel phasemore » separation in a transparent, single-channel device. Next, heat exchange is integrated with the microchannel wick approach to create a partial condenser that also separates the condensate. Finally, the scale-up to a multi-channel phase separator is described.« less

Quantum molecular dynamics simulations of dense matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collins, L.; Kress, J.; Troullier, N.

1997-12-31

The authors have developed a quantum molecular dynamics (QMD) simulation method for investigating the properties of dense matter in a variety of environments. The technique treats a periodically-replicated reference cell containing N atoms in which the nuclei move according to the classical equations-of-motion. The interatomic forces are generated from the quantum mechanical interactions of the (between?) electrons and nuclei. To generate these forces, the authors employ several methods of varying sophistication from the tight-binding (TB) to elaborate density functional (DF) schemes. In the latter case, lengthy simulations on the order of 200 atoms are routinely performed, while for the TB,more » which requires no self-consistency, upwards to 1000 atoms are systematically treated. The QMD method has been applied to a variety cases: (1) fluid/plasma Hydrogen from liquid density to 20 times volume-compressed for temperatures of a thousand to a million degrees Kelvin; (2) isotopic hydrogenic mixtures, (3) liquid metals (Li, Na, K); (4) impurities such as Argon in dense hydrogen plasmas; and (5) metal/insulator transitions in rare gas systems (Ar,Kr) under high compressions. The advent of parallel versions of the methods, especially for fast eigensolvers, presage LDA simulations in the range of 500--1000 atoms and TB runs for tens of thousands of particles. This leap should allow treatment of shock chemistry as well as large-scale mixtures of species in highly transient environments.« less

Chromatographic behavior of small organic compounds in low-temperature high-performance liquid chromatography using liquid carbon dioxide as the mobile phase.

PubMed

Motono, Tomohiro; Nagai, Takashi; Kitagawa, Shinya; Ohtani, Hajime

2015-07-01

Low-temperature high-performance liquid chromatography, in which a loop injector, column, and detection cell were refrigerated at -35ºC, using liquid carbon dioxide as the mobile phase was developed. Small organic compounds (polyaromatic hydrocarbons, alkylbenzenes, and quinones) were separated by low-temperature high-performance liquid chromatography at temperatures from -35 to -5ºC. The combination of liquid carbon dioxide mobile phase with an octadecyl-silica (C18 ) column provided reversed phase mode separation, and a bare silica-gel column resulted in normal phase mode separation. In both the cases, nonlinear behavior at approximately -15ºC was found in the relationship between the temperature and the retention factors of the analytes (van't Hoff plots). In contrast to general trends in high-performance liquid chromatography, the decrease in temperature enhanced the separation efficiency of both the columns. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Immobilization of organic radioactive and non-radioactive liquid waste in a composite matrix

DOE Office of Scientific and Technical Information (OSTI.GOV)

Galkin, Anatoliy; Gelis, Artem V.; Castiglioni, Andrew J.

A method for immobilizing liquid radioactive waste is provided, the method having the steps of mixing waste with polymer to form a non-liquid waste; contacting the non-liquid waste with a solidifying agent to create a mixture, heating the mixture to cause the polymer, waste, and filler to irreversibly bind in a solid phase, and compressing the solid phase into a monolith. The invention also provides a method for immobilizing liquid radioactive waste containing tritium, the method having the steps of mixing liquid waste with polymer to convert the liquid waste to a non-liquid waste, contacting the non-liquid waste with amore » solidifying agent to create a mixture, heating the mixture to form homogeneous, chemically stable solid phase, and compressing the chemically stable solid phase into a final waste form, wherein the polymer comprises approximately a 9:1 weight ratio mixture of styrene block co-polymers and cross linked co-polymers of acrylamides.« less

Liquid-liquid phase transition and anomalous diffusion in simulated liquid GeO 2

NASA Astrophysics Data System (ADS)

Hoang, Vo Van; Anh, Nguyen Huynh Tuan; Zung, Hoang

2007-03-01

We perform molecular dynamics (MD) simulation of diffusion in liquid GeO 2 at the temperatures ranged from 3000 to 5000 K and densities ranged from 3.65 to 7.90 g/cm 3. Simulations were done in a model containing 3000 particles with the new interatomic potentials for liquid and amorphous GeO 2, which have weak Coulomb interaction and Morse-type short-range interaction. We found a liquid-liquid phase transition in simulated liquid GeO 2 from a tetrahedral to an octahedral network structure upon compression. Moreover, such phase transition accompanied with an anomalous diffusion of particles in liquid GeO 2 that the diffusion constant of both Ge and O particles strongly increases with increasing density (e.g. with increasing pressure) and it shows a maximum at the density around 4.95 g/cm 3. The possible relation between anomalous diffusion of particles and structural phase transition in the system has been discussed.

A sensitive and accurate method for the determination of perfluoroalkyl and polyfluoroalkyl substances in human serum using a high performance liquid chromatography-online solid phase extraction-tandem mass spectrometry.

PubMed

Yu, Chang Ho; Patel, Bhupendra; Palencia, Marilou; Fan, Zhihua Tina

2017-01-13

A selective, sensitive, and accurate analytical method for the measurement of perfluoroalkyl and polyfluoroalkyl substances (PFASs) in human serum, utilizing LC-MS/MS (liquid chromatography-tandem mass spectrometry), was developed and validated according to the Centers for Disease Control and Prevention (CDC) guidelines for biological sample analysis. Tests were conducted to determine the optimal analytical column, mobile phase composition and pH, gradient program, and cleaning procedure. The final analytical column selected for analysis was an extra densely bonded silica-packed reverse-phase column (Agilent XDB-C 8 , 3.0×100mm, 3.5μm). Mobile phase A was an aqueous buffer solution containing 10mM ammonium acetate (pH=4.3). Mobile phase B was a mixture of methanol and acetonitrile (1:1, v/v). The gradient program was programmed by initiating a fast elution (%B, from 40 to 65%) between 1.0 and 1.5min, followed by a slow elution (%B: 65-80%) in the period of 1.5-7.5min. The cleanup procedures were augmented by cleaning with (1) various solvents (isopropyl alcohol, methanol, acetonitrile, and reverse osmosis-purified water); (2) extensive washing steps for the autosampler and solid phase extraction (SPE) cartridge; and (3) a post-analysis cleaning step for the whole system. Under the above conditions, the resolution and sensitivity were significantly improved. Twelve target PFASs were baseline-separated (2.5-7.0min) within a 10-min of acquisition time. The limits of detection (LODs) were 0.01ng/mL or lower for all of the target compounds, making this method 5 times more sensitive than previously published methods. The newly developed method was validated in the linear range of 0.01-50ng/mL, and the accuracy (recovery between 80 and 120%) and precision (RSD<20%) were acceptable at three spiked levels (0.25, 2.5, and 25ng/mL). The method development and validation results demonstrated that this method was precise, accurate, and robust, with high-throughput (∼10min per sample); thus suitable for large-scale epidemiological studies. Published by Elsevier B.V.

Flame spread across liquid pools

NASA Technical Reports Server (NTRS)

Ross, Howard; Miller, Fletcher; Schiller, David; Sirignano, William A.

1993-01-01

For flame spread over liquid fuel pools, the existing literature suggests three gravitational influences: (1) liquid phase buoyant convection, delaying ignition and assisting flame spread; (2) hydrostatic pressure variation, due to variation in the liquid pool height caused by thermocapillary-induced convection; and (3) gas-phase buoyant convection in the opposite direction to the liquid phase motion. No current model accounts for all three influences. In fact, prior to this work, there was no ability to determine whether ignition delay times and flame spread rates would be greater or lesser in low gravity. Flame spread over liquid fuel pools is most commonly characterized by the relationship of the initial pool temperature to the fuel's idealized flash point temperature, with four or five separate characteristic regimes having been identified. In the uniform spread regime, control has been attributed to: (1) gas-phase conduction and radiation; (2) gas-phase conduction only; (3) gas-phase convection and liquid conduction, and most recently (4) liquid convection ahead of the flame. Suggestions were made that the liquid convection was owed to both vuoyancy and thermocapillarity. Of special interest to this work is the determination of whether, and under what conditions, pulsating spread can and will occur in microgravity in the absence of buoyant flows in both phases. The approach we have taken to resolving the importance of buoyancy for these flames is: (1) normal gravity experiments and advanced diagnostics; (2) microgravity experiments; and (3) numerical modelling at arbitrary gravitational level.

Pressure-Induced Phase Transitions of n-Tridecane

NASA Astrophysics Data System (ADS)

Yamashita, Motoi

Pressure-induced phase transition behavior of n-tridecane from the ordered phase through the rotator phase into the liquid phase has been investigated by using Fourier transform infrared spectroscopy at 25 °C. The transition between the ordered and rotator phases has been observed in the pressure range of 270-220 MPa and the transition between the rotator and liquid phases has been observed in the pressure range of 171-112 MPa, within the experimental error of ±50 MPa. The populations of the -gtg- + -gtg'-, -gg- and gt- defects determined from the methylene wagging mode are smaller in the rotator phase than in the liquid phase and are smaller under higher pressure in both of the rotator and liquid phases. A relationship has been found between the conformation and the intensity of the 890 cm-1 band, which has been assigned as the methyl rocking mode and has been considered as insensitive to conformation.

Laser-induced separation of hydrogen isotopes in the liquid phase

DOEpatents

Freund, Samuel M.; Maier, II, William B.; Beattie, Willard H.; Holland, Redus F.

1980-01-01

Hydrogen isotope separation is achieved by either (a) dissolving a hydrogen-bearing feedstock compound in a liquid solvent, or (b) liquefying a hydrogen-bearing feedstock compound, the liquid phase thus resulting being kept at a temperature at which spectral features of the feedstock relating to a particular hydrogen isotope are resolved, i.e., a clear-cut isotope shift is delineated, irradiating the liquid phase with monochromatic radiation of a wavelength which at least preferentially excites those molecules of the feedstock containing a first hydrogen isotope, inducing photochemical reaction in the excited molecules, and separating the reaction product containing the first isotope from the liquid phase.

Solid-liquid critical behavior of water in nanopores.

PubMed

Mochizuki, Kenji; Koga, Kenichiro

2015-07-07

Nanoconfined liquid water can transform into low-dimensional ices whose crystalline structures are dissimilar to any bulk ices and whose melting point may significantly rise with reducing the pore size, as revealed by computer simulation and confirmed by experiment. One of the intriguing, and as yet unresolved, questions concerns the observation that the liquid water may transform into a low-dimensional ice either via a first-order phase change or without any discontinuity in thermodynamic and dynamic properties, which suggests the existence of solid-liquid critical points in this class of nanoconfined systems. Here we explore the phase behavior of a model of water in carbon nanotubes in the temperature-pressure-diameter space by molecular dynamics simulation and provide unambiguous evidence to support solid-liquid critical phenomena of nanoconfined water. Solid-liquid first-order phase boundaries are determined by tracing spontaneous phase separation at various temperatures. All of the boundaries eventually cease to exist at the critical points and there appear loci of response function maxima, or the Widom lines, extending to the supercritical region. The finite-size scaling analysis of the density distribution supports the presence of both first-order and continuous phase changes between solid and liquid. At around the Widom line, there are microscopic domains of two phases, and continuous solid-liquid phase changes occur in such a way that the domains of one phase grow and those of the other evanesce as the thermodynamic state departs from the Widom line.

Continuum approaches for describing solid-gas and solid-liquid flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Diamond, P.; Harvey, J.; Levine, H.

Two-phase continuum models have been used to describe the multiphase flow properties of solid-gas and solid-liquid mixtures. The approach is limited in that it requires many fitting functions and parameters to be determined empirically, and it does not provide natural explanations for some of the qualitative behavior of solid-fluid flow. In this report, we explore a more recent single-phase continuum model proposed by Jenkins and Savage to describe granular flow. Jenkins and McTigue have proposed a modified model to describe the flow of dense suspensions, and hence, many of our results can be straight-forwardly extended to this flow regime asmore » well. The solid-fluid mixture is treated as a homogeneous, compressible fluid in which the particle fluctuations about the mean flow are described in terms of an effective temperature. The particle collisions are treated as inelastic. After an introduction in which we briefly comment on the present status of the field, we describe the details of the single-phase continuum model and analyze the microscopic and macroscopic flow conditions required for the approach to be valid. We then derive numerous qualitative predictions which can be empirically verified in small-scale experiments: The flow profiles are computed for simple boundary conditions, plane Couette flow and channel flow. Segregaion effects when there are two (or more) particle size are considered. The acoustic dispersion relation is derived and shown to predict that granular flow is supersonic. We point out that the analysis of flow instabilities is complicated by the finite compressibility of the solid-fluid mixture. For example, the large compressibility leads to interchange (Rayleigh-Taylor instabilities) in addition to the usual angular momentum interchange in standard (cylindrical) Couette flow. We conclude by describing some of the advantages and limitations of experimental techniques that might be used to test predictions for solid-fluid flow. 19 refs.« less

Binary Solid-Liquid Phase Diagram of Phenol and t-Butanol: An Undergraduate Physical Chemistry Experiment

ERIC Educational Resources Information Center

Xu, Xinhua; Wang, Xiaogang; Wu, Meifen

2014-01-01

The determination of the solid-liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid-liquid phase diagrams are more common. In this article, the…

Modeling of Liquid Steel/Slag/Argon Gas Multiphase Flow During Tundish Open Eye Formation in a Two-Strand Tundish

NASA Astrophysics Data System (ADS)

Chatterjee, Saikat; Li, Donghui; Chattopadhyay, Kinnor

2018-04-01

Multiphase flows are frequently encountered in metallurgical operations. One of the most effective ways to understand these processes is by flow modeling. The process of tundish open eye (TOE) formation involves three-phase interaction between liquid steel, slag, and argon gas. The two-phase interaction involving argon gas bubbles and liquid steel can be modeled relatively easily using the discrete phase modeling technique. However, the effect of an upper slag layer cannot be captured using this approach. The presence of an upper buoyant phase can have a major effect on the behavior of TOEs. Hence, a multiphase model, including three phases, viz. liquid steel, slag, and argon gas, in a two-strand slab caster tundish, was developed to study the formation and evolution of TOEs. The volume of fluid model was used to track the interphase between liquid steel and slag phases, while the discrete phase model was used to trace the movement of the argon gas bubbles in liquid steel. The variation in the TOE areas with different amounts of aspirated argon gas was examined in the presence of an overlying slag phase. The mathematical model predictions were compared against steel plant measurements.

LOX droplet vaporization in a supercritical forced convective environment

NASA Technical Reports Server (NTRS)

Hsiao, Chia-Chun; Yang, Vigor

1993-01-01

Modern liquid rocket engines often use liquid oxygen (LOX) and liquid hydrogen (LH2) as propellants to achieve high performance, with the engine operational conditions in the supercritical regimes of the propellants. Once the propellant exceeds its critical state, it essentially becomes a puff of dense fluid. The entire field becomes a continuous medium, and no distinct interfacial boundary between the liquid and gas exists. Although several studies have been undertaken to investigate the supercritical droplet behavior at quiescent conditions, very little effort has been made to address the fundamental mechanisms associated with LOX droplet vaporization in a supercritical, forced convective environment. The purpose is to establish a theoretical framework within which supercritical droplet dynamics and vaporization can be studied systematically by means of an efficient and robust numerical algorithm.

Dynamically generated patterns in dense suspensions of active filaments

NASA Astrophysics Data System (ADS)

Prathyusha, K. R.; Henkes, Silke; Sknepnek, Rastko

2018-02-01

We use Langevin dynamics simulations to study dynamical behavior of a dense planar layer of active semiflexible filaments. Using the strength of active force and the thermal persistence length as parameters, we map a detailed phase diagram and identify several nonequilibrium phases in this system. In addition to a slowly flowing melt phase, we observe that, for sufficiently high activity, collective flow accompanied by signatures of local polar and nematic order appears in the system. This state is also characterized by strong density fluctuations. Furthermore, we identify an activity-driven crossover from this state of coherently flowing bundles of filaments to a phase with no global flow, formed by individual filaments coiled into rotating spirals. This suggests a mechanism where the system responds to activity by changing the shape of active agents, an effect with no analog in systems of active particles without internal degrees of freedom.

Phase behavior of metastable liquid silicon at negative pressure: Ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Zhao, G.; Yu, Y. J.; Yan, J. L.; Ding, M. C.; Zhao, X. G.; Wang, H. Y.

2016-04-01

Extensive first-principle molecular dynamics simulations are performed to study the phase behavior of metastable liquid Si at negative pressure. Our results show that the high-density liquid (HDL) and HDL-vapor spinodals indeed form a continuous reentrant curve and the liquid-liquid critical point seems to just coincide with its minimum. The line of density maxima also has a strong tendency to pass through this minimum. The phase behaviour of metastable liquid Si therefore tends to be a critical-point-free scenario rather than a second-critical-point one based on SW potential.

Silicate Liquid Equations of State from Molten Shock Experiments

NASA Astrophysics Data System (ADS)

Asimow, P. D.; Ahrens, T. J.

2005-12-01

Over the past 20 years the Caltech shockwave lab has pioneered the direct measurement of equations of state of silicate liquids by shockwave experiments on targets preheated to 1250-1700 °C. A glass of the desired composition is welded into a Mo capsule; the capsule is heated by induction to above the liquidus of the sample. Upon impact with a gun-launched flyer plate, a planar shockwave is driven into the molten sample. Passage of the shock through the sample and capsule cover is measured with a high-speed streak camera; impactor velocity is measured with a double-exposure flash X-ray. Initial sample density is inferred from measured temperature and known 1 bar density and thermal expansion data. Previously, a 40 mm single-stage gun launched 80 g projectiles carrying 1.5 mm thick flyers at up to 2.7 km/s. Maximum pressures in the range of 25 to 45 GPa were achieved in diopside, anorthite, the diopside-anorthite eutectic, komatiite, MORB, and fayalite. Results of prior work are briefly reviewed. Also revisited are arguments that, although the silicate liquids achieve their relaxed hydrostatic states, crystallization does not occur on the timescale of the experiment. Densities of the compositions studied appear to converge in the 20-40 GPa range to that expected for a mixture of dense oxide phases of equal composition and temperature. Previous data, however, do not test whether, with further compression, the liquids can become denser than the equivalent solid oxide mixes. In the case of the diopside-anorthite eutectic, earlier experiments showed anomalous stiffening above 25 GPa. We have improved the technique in several ways that allow us to extend measurements to pressures exceeding the core-mantle boundary in the Earth. These improvements include a higher writing-rate image converter streak camera, high-temperature shorting pins to trigger the image converter camera, digital profiling of pre-shot capsule shape, pyrometry (in place of thermocouples) to measure pre-shot temperature, better heating coil design for more uniform heating, initiation of a program to extent Hugoniot data on hot Mo, and (most importantly) adaptation to Caltech's 25 mm two-stage light gas gun for impact speeds up to 7.5 km/s. We intend to apply this technique to characterize a suite of liquid compositions up to core-mantle boundary pressure in order to constrain melting relationships and dynamics of partial melts under magma ocean and ultra-low velocity zone conditions. Such large compressions will also clearly test whether the hot dense oxide mix model is useful for extrapolating liquid properties beyond the mid-mantle. Initial results have revisited the anomalous compression of diopside-anorthite eutectic composition above 25 GPa. A single experiment reaching 42 GPa clearly lies on the extension of the low pressure Hugoniot and shows, at the 10 sigma level, that the anomalous compression of this composition is not repeatable. An error-weighted fit to all the data on this composition is consistent with a linear Us-Up Hugoniot. We expect that shockwave studies of silicate liquids will constitute a key element of a renewed effort in the broader community to determine physical properties of liquids at all mantle pressures and to apply this knowledge to understanding the differentiation and current state of the Earth.

Superamphiphobic Silicon-Nanowire-Embedded Microsystem and In-Contact Flow Performance of Gas and Liquid Streams.

PubMed

Ko, Dong-Hyeon; Ren, Wurong; Kim, Jin-Oh; Wang, Jun; Wang, Hao; Sharma, Siddharth; Faustini, Marco; Kim, Dong-Pyo

2016-01-26

Gas and liquid streams are invariably separated either by a solid wall or by a membrane for heat or mass transfer between the gas and liquid streams. Without the separating wall, the gas phase is present as bubbles in liquid or, in a microsystem, as gas plugs between slugs of liquid. Continuous and direct contact between the two moving streams of gas and liquid is quite an efficient way of achieving heat or mass transfer between the two phases. Here, we report a silicon nanowire built-in microsystem in which a liquid stream flows in contact with an underlying gas stream. The upper liquid stream does not penetrate into the lower gas stream due to the superamphiphobic nature of the silicon nanowires built into the bottom wall, thereby preserving the integrity of continuous gas and liquid streams, although they are flowing in contact. Due to the superamphiphobic nature of silicon nanowires, the microsystem provides the best possible interfacial mass transfer known to date between flowing gas and liquid phases, which can achieve excellent chemical performance in two-phase organic syntheses.

Images reveal that atmospheric particles can undergo liquid–liquid phase separations

PubMed Central

You, Yuan; Renbaum-Wolff, Lindsay; Carreras-Sospedra, Marc; Hanna, Sarah J.; Hiranuma, Naruki; Kamal, Saeid; Smith, Mackenzie L.; Zhang, Xiaolu; Weber, Rodney J.; Shilling, John E.; Dabdub, Donald; Martin, Scot T.; Bertram, Allan K.

2012-01-01

A large fraction of submicron atmospheric aerosol particles contains both organic material and inorganic salts. As the relative humidity cycles in the atmosphere and the water content of the particles correspondingly changes, these mixed particles can undergo a range of phase transitions, possibly including liquid–liquid phase separation. If liquid–liquid phase separation occurs, the gas-particle partitioning of atmospheric semivolatile organic compounds, the scattering and absorption of solar radiation, and the reactive uptake of gas species on atmospheric particles may be affected, with important implications for climate predictions. The actual occurrence of liquid–liquid phase separation within individual atmospheric particles has been considered uncertain, in large part because of the absence of observations for real-world samples. Here, using optical and fluorescence microscopy, we present images that show the coexistence of two noncrystalline phases for real-world samples collected on multiple days in Atlanta, GA as well as for laboratory-generated samples under simulated atmospheric conditions. These results reveal that atmospheric particles can undergo liquid–liquid phase separations. To explore the implications of these findings, we carried out simulations of the Atlanta urban environment and found that liquid–liquid phase separation can result in increased concentrations of gas-phase NO3 and N2O5 due to decreased particle uptake of N2O5. PMID:22847443

Experimental Studies of Liquefaction and Densification of Liquid Oxygen

NASA Technical Reports Server (NTRS)

Partridge, Jonathan Koert

2010-01-01

The propellant combination that offers optimum performance is very reactive with a low average molecular weight of the resulting combustion products. Propellant combinations such as oxygen and hydrogen meet the above criteria, however, the propellants in gaseous form require large propellant tanks due to the low density of gas. Thus, rocketry employs cryogenic refrigeration to provide a more dense propellant stored as a liquid. In addition to propellant liquefaction, cryogenic refrigeration can also conserve propellant and provide propellant subcooling and propellant densification. Previous studies analyzed vapor conditioning of a cryogenic propellant, with the vapor conditioning by either a heat exchanger position in the vapor or by using the vapor in a refrigeration cycle as the working fluid. This study analyzes the effects of refrigeration heat exchanger located in the liquid of the common propellant oxidizer, liquid oxygen. This study predicted and determined the mass condensation rate and heat transfer coefficient for liquid oxygen.

Deconstructing Temperature Gradients across Fluid Interfaces: The Structural Origin of the Thermal Resistance of Liquid-Vapor Interfaces

NASA Astrophysics Data System (ADS)

Muscatello, Jordan; Chacón, Enrique; Tarazona, Pedro; Bresme, Fernando

2017-07-01

The interfacial thermal resistance determines condensation-evaporation processes and thermal transport across material-fluid interfaces. Despite its importance in transport processes, the interfacial structure responsible for the thermal resistance is still unknown. By combining nonequilibrium molecular dynamics simulations and interfacial analyses that remove the interfacial thermal fluctuations we show that the thermal resistance of liquid-vapor interfaces is connected to a low density fluid layer that is adsorbed at the liquid surface. This thermal resistance layer (TRL) defines the boundary where the thermal transport mechanism changes from that of gases (ballistic) to that characteristic of dense liquids, dominated by frequent particle collisions involving very short mean free paths. We show that the thermal conductance is proportional to the number of atoms adsorbed in the TRL, and hence we explain the structural origin of the thermal resistance in liquid-vapor interfaces.

Fluorescence Approaches to Growing Macromolecule Crystals

NASA Technical Reports Server (NTRS)

Pusey, Marc; Forsythe, Elizabeth; Achari, Aniruddha

2006-01-01

Trace fluorescent labeling, typically < 1%, can be a powerful aid in macromolecule crystallization. Precipitation concentrates a solute, and crystals are the most densely packed solid form. The more densely packed the fluorescing material, the more brightly the emission from it, and thus fluorescence intensity of a solid phase is a good indication of whether one has crystals or not. The more brightly fluorescing crystalline phase is easily distinguishable, even when embedded in an amorphous precipitate. This approach conveys several distinct advantages: one can see what the protein is doing in response to the imposed conditions, and distinguishing between amorphous and microcrystalline precipitated phases are considerably simpler. The higher fluorescence intensity of the crystalline phase led us to test if we could derive crystallization conditions from screen outcomes which had no obvious crystalline material, but simply "bright spots" in the precipitated phase. Preliminary results show that the presence of these bright spots, not observable under white light, is indeed a good indicator of potential crystallization conditions.

Rheology of dense suspensions of non colloidal particles

NASA Astrophysics Data System (ADS)

Guazzelli, Élisabeth

2017-06-01

Dense suspensions are materials with broad applications both in industrial processes (e.g. waste disposal, concrete, drilling muds, metalworking chip transport, and food processing) and in natural phenomena (e.g. flows of slurries, debris, and lava). Despite its long research history and its practical relevance, the mechanics of dense suspensions remain poorly understood. The major difficulty is that the grains interact both by hydrodynamic interactions through the liquid and by mechanical contact. These systems thus belong to an intermediate regime between pure suspensions and granular flows. We show that we can unify suspension and granular rheology under a common framework by transferring the frictional approach of dry granular media to wet suspensions of spherical particles. We also discuss non-Newtonian behavior such as normal-stress differences and shear-induced migration. Beyond the classical problem of dense suspension of hard spheres which is far from being completely resolved, there are also entirely novel avenues of study concerning more complex mixtures of particles and fluids such as those involving other types of particles (e.g. fibers) or non-Newtonian fluids that we will also address.

Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube

PubMed Central

Nomura, Kentaro; Kaneko, Toshihiro; Bai, Jaeil; Francisco, Joseph S.; Yasuoka, Kenji; Zeng, Xiao Cheng

2017-01-01

Possible transition between two phases of supercooled liquid water, namely the low- and high-density liquid water, has been only predicted to occur below 230 K from molecular dynamics (MD) simulation. However, such a phase transition cannot be detected in the laboratory because of the so-called “no-man’s land” under deeply supercooled condition, where only crystalline ices have been observed. Here, we show MD simulation evidence that, inside an isolated carbon nanotube (CNT) with a diameter of 1.25 nm, both low- and high-density liquid water states can be detected near ambient temperature and above ambient pressure. In the temperature–pressure phase diagram, the low- and high-density liquid water phases are separated by the hexagonal ice nanotube (hINT) phase, and the melting line terminates at the isochore end point near 292 K because of the retracting melting line from 292 to 278 K. Beyond the isochore end point (292 K), low- and high-density liquid becomes indistinguishable. When the pressure is increased from 10 to 600 MPa along the 280-K isotherm, we observe that water inside the 1.25-nm-diameter CNT can undergo low-density liquid to hINT to high-density liquid reentrant first-order transitions. PMID:28373562

Evaluation of ionic liquid stationary phases for one dimensional gas chromatography-mass spectrometry and comprehensive two dimensional gas chromatographic analyses of fatty acids in marine biota.

PubMed

Gu, Qun; David, Frank; Lynen, Frédéric; Vanormelingen, Pieter; Vyverman, Wim; Rumpel, Klaus; Xu, Guowang; Sandra, Pat

2011-05-20

Ionic liquid stationary phases were tested for one dimensional gas chromatography-mass spectrometry (GC-MS) and comprehensive two dimensional gas chromatography (GC×GC) of fatty acid methyl esters from algae. In comparison with polyethylene glycol and cyanopropyl substituted polar stationary phases, ionic liquid stationary phases SLB-IL 82 and SLB-IL 100 showed comparable resolution, but lower column bleeding with MS detection, resulting in better sensitivity. The selectivity and polarity of the ionic liquid phases are similar to a highly polar biscyanopropyl-silicone phase (e.g. HP-88). In GC×GC, using an apolar polydimethyl siloxane×polar ionic liquid column combination, an excellent group-type separation of fatty acids with different carbon numbers and number of unsaturations was obtained, providing information that is complementary to GC-MS identification. Copyright © 2011 Elsevier B.V. All rights reserved.

Theoretical gas to liquid shift of (15)N isotropic nuclear magnetic shielding in nitromethane using ab initio molecular dynamics and GIAO/GIPAW calculations.

PubMed

Gerber, Iann C; Jolibois, Franck

2015-05-14

Chemical shift requires the knowledge of both the sample and a reference magnetic shielding. In few cases as nitrogen (15N), the standard experimental reference corresponds to its liquid phase. Theoretical estimate of NMR magnetic shielding parameters of compounds in their liquid phase is then mandatory but usually replaced by an easily-get gas phase value, forbidding direct comparisons with experiments. We propose here to combine ab initio molecular dynamic simulations with the calculations of magnetic shielding using GIAO approach on extracted cluster's structures from MD. Using several computational strategies, we manage to accurately calculate 15N magnetic shielding of nitromethane in its liquid phase. Theoretical comparison between liquid and gas phase allows us to extrapolate an experimental value for the 15N magnetic shielding of nitromethane in gas phase between -121.8 and -120.8 ppm.