APTS and rGO co-functionalized pyrenated fluorescent nanonets for representative vapor phase nitroaromatic explosive detection.

PubMed

Guo, Linjuan; Zu, Baiyi; Yang, Zheng; Cao, Hongyu; Zheng, Xuefang; Dou, Xincun

2014-01-01

For the first time, flexible PVP/pyrene/APTS/rGO fluorescent nanonets were designed and synthesized via a one-step electrospinning method to detect representative subsaturated nitroaromatic explosive vapor. The functional fluorescent nanonets, which were highly stable in air, showed an 81% quenching efficiency towards TNT vapor (∼10 ppb) with an exposure time of 540 s at room temperature. The nice performance of the nanonets was ascribed to the synergistic effects induced by the specific adsorption properties of APTS, the fast charge transfer properties and the effective π-π interaction with pyrene and TNT of rGO. Compared to the analogues of TNT, the PVP/pyrene/APTS/rGO nanonets showed notable selectivity towards TNT and DNT vapors. The explored functionalization method opens up brand new insight into sensitive and selective detection of vapor phase nitroaromatic explosives.

Smoothed particle hydrodynamics method for evaporating multiphase flows.

PubMed

Yang, Xiufeng; Kong, Song-Charng

2017-09-01

The smoothed particle hydrodynamics (SPH) method has been increasingly used for simulating fluid flows; however, its ability to simulate evaporating flow requires significant improvements. This paper proposes an SPH method for evaporating multiphase flows. The present SPH method can simulate the heat and mass transfers across the liquid-gas interfaces. The conservation equations of mass, momentum, and energy were reformulated based on SPH, then were used to govern the fluid flow and heat transfer in both the liquid and gas phases. The continuity equation of the vapor species was employed to simulate the vapor mass fraction in the gas phase. The vapor mass fraction at the interface was predicted by the Clausius-Clapeyron correlation. An evaporation rate was derived to predict the mass transfer from the liquid phase to the gas phase at the interface. Because of the mass transfer across the liquid-gas interface, the mass of an SPH particle was allowed to change. Alternative particle splitting and merging techniques were developed to avoid large mass difference between SPH particles of the same phase. The proposed method was tested by simulating three problems, including the Stefan problem, evaporation of a static drop, and evaporation of a drop impacting a hot surface. For the Stefan problem, the SPH results of the evaporation rate at the interface agreed well with the analytical solution. For drop evaporation, the SPH result was compared with the result predicted by a level-set method from the literature. In the case of drop impact on a hot surface, the evolution of the shape of the drop, temperature, and vapor mass fraction were predicted.

Low temperature vapor phase digestion of graphite

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

Pierce, Robert A.

2017-04-18

A method for digestion and gasification of graphite for removal from an underlying surface is described. The method can be utilized to remove graphite remnants of a formation process from the formed metal piece in a cleaning process. The method can be particularly beneficial in cleaning castings formed with graphite molding materials. The method can utilize vaporous nitric acid (HNO.sub.3) or vaporous HNO.sub.3 with air/oxygen to digest the graphite at conditions that can avoid damage to the underlying surface.

Simulating Osmotic Equilibria: A New Tool for Calculating Activity Coefficients in Concentrated Aqueous Salt Solutions.

PubMed

Bley, Michael; Duvail, Magali; Guilbaud, Philippe; Dufrêche, Jean-François

2017-10-19

Herein, a new theoretical method is presented for predicting osmotic equilibria and activities, where a bulk liquid and its corresponding vapor phase are simulated by means of molecular dynamics using explicit polarization. Calculated time-averaged number density profiles provide the amount of evaporated molecules present in the vapor phase and consequently the vapor-phase density. The activity of the solvent and the corresponding osmotic coefficient are determined by the vapor density at different solute concentrations with respect to the reference vapor density of the pure solvent. With the extended Debye-Hückel equation for the activity coefficient along with the corresponding Gibbs-Duhem relation, the activity coefficients of the solutes are calculated by fitting the osmotic coefficients. A simple model based on the combination of Poisson processes and Maxwell-Boltzmann velocity distributions is introduced to interpret statistical phenomena observed during the simulations, which are related to evaporation and recondensation. This method is applied to aqueous dysprosium nitrate [Dy(NO 3 ) 3 ] solutions at different concentrations. The obtained densities of the liquid bulk and the osmotic and activity coefficients are in good agreement with the experimental results for concentrated and saturated solutions. Density profiles of the liquid-vapor interface at different concentrations provide detailed insight into the spatial distributions of all compounds.

Visualization of Two-Phase Fluid Distribution Using Laser Induced Exciplex Fluorescence

NASA Astrophysics Data System (ADS)

Kim, J. U.; Darrow, J.; Schock, H.; Golding, B.; Nocera, D.; Keller, P.

1998-03-01

Laser-induced exciplex (excited state complex) fluorescence has been used to generate two-dimensional images of dispersed liquid and vapor phases with spectrally resolved two-color emissions. In this method, the vapor phase is tagged by the monomer fluorescence while the liquid phase is tracked by the exciplex fluorescence. A new exciplex visualization system consisting of DMA and 1,4,6-TMN in an isooctane solvent was developed.(J.U. Kim et al., Chem. Phys. Lett. 267, 323-328 (1997)) The direct ca

Ionic Vapor Composition in Critical and Supercritical States of Strongly Interacting Ionic Compounds.

PubMed

Chaban, Vitaly V; Prezhdo, Oleg V

2016-05-12

The critical point, CP (T, P), of the phase diagram quantifies the minimum amount of kinetic energy needed to prevent a substance from existing in a condensed phase. Therefore, the CP is closely related to the properties of the fluid far below the critical temperature. Approaches designed to predict thermophysical properties of a system necessarily aim to provide reliable estimates of the CP. Vice versa, CP estimation is impossible without knowledge of the vapor phase behavior. We report ab initio Born-Oppenheimer molecular dynamics (BOMD) simulations of sodium and potassium chlorides, NaCl and KCl, at and above their expected CPs. We advance the present knowledge regarding the existence of ionic species in the vapor phase by establishing significant percentages of atomic clusters: 29-30% in NaCl and 34-38% in KCl. A neutral pair of counterions is the most abundant cluster in the ionic vapors (ca. 35% of all vaporized ions exist in this form). Unexpectedly, an appreciable fraction of clusters is charged. The ionic vapor composition is determined by the vapor density, rather than the nature of the alkali ion. The previously suggested CPs of NaCl and KCl appear overestimated, based on the present simulations. The reported results offer essential insights into the ionic fluid properties and assist in development of thermodynamic theories. The ab initio BOMD method has been applied to investigate the vapor phase composition of an ionic fluid for the first time.

Method of dehydrating natural gas

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

Wells, R. E.

1985-01-01

A method for dehydration of natural gas is provided wherein well head gas is supplied to a three-phase inlet separator, the vapor mixture of natural gas and water removed from that inlet separator means is supplied to a turboexpander, and the resulting refrigerated mixture of natural gas and condensed water vapor is supplied to a multi-phase outlet separator. The turboexpander may have integral means for subsequent compression of the refrigerated mixture and may be coupled through reduction gears to a means for generating electricity. A portion of the refrigerated mixture may be connected to a heat exchanger for cooling themore » well head natural gas prior to entry into the inlet separator. The flow of refrigerated mixture to this heat exchanger may be controlled by a temperature sensitive valve downstream of the heat exchanger. Methanol may be injected into the vapor mixture prior to entry into the turboexpander. The flow of methanol into the vapor mixture may be controlled by a valve sensitive to the flow rate of the vapor mixture and the water vapor content of the refrigerated mixture. Natural gas vapor from the outlet separator may be recirculated through the turboexpander if the output water vapor content of the natural gas vapor stream is too high.« less

Nano powders, components and coatings by plasma technique

DOEpatents

McKechnie, Timothy N [Brownsboro, AL; Antony, Leo V. M. [Huntsville, AL; O'Dell, Scott [Arab, AL; Power, Chris [Guntersville, AL; Tabor, Terry [Huntsville, AL

2009-11-10

Ultra fine and nanometer powders and a method of producing same are provided, preferably refractory metal and ceramic nanopowders. When certain precursors are injected into the plasma flame in a reactor chamber, the materials are heated, melted and vaporized and the chemical reaction is induced in the vapor phase. The vapor phase is quenched rapidly to solid phase to yield the ultra pure, ultra fine and nano product. With this technique, powders have been made 20 nanometers in size in a system capable of a bulk production rate of more than 10 lbs/hr. The process is particularly applicable to tungsten, molybdenum, rhenium, tungsten carbide, molybdenum carbide and other related materials.

Nano powders, components and coatings by plasma technique

NASA Technical Reports Server (NTRS)

McKechnie, Timothy N. (Inventor); Antony, Leo V. M. (Inventor); O'Dell, Scott (Inventor); Power, Chris (Inventor); Tabor, Terry (Inventor)

2009-01-01

Ultra fine and nanometer powders and a method of producing same are provided, preferably refractory metal and ceramic nanopowders. When certain precursors are injected into the plasma flame in a reactor chamber, the materials are heated, melted and vaporized and the chemical reaction is induced in the vapor phase. The vapor phase is quenched rapidly to solid phase to yield the ultra pure, ultra fine and nano product. With this technique, powders have been made 20 nanometers in size in a system capable of a bulk production rate of more than 10 lbs/hr. The process is particularly applicable to tungsten, molybdenum, rhenium, tungsten carbide, molybdenum carbide and other related materials.

The problems of growth of single crystals of rhenium and iridium dioxides

NASA Technical Reports Server (NTRS)

1973-01-01

Research is reported on the following: (1) growth of IrO2 and ReOx by the vapor phase method, in which a measured flow of oxygen gas carries the vapor products of the pure metals from a hot zone to a cold zone in a two temperature zone furnace; and (2) growth of IrO2 and Re2O7 single crystals by the chemical vapor transport method.

Application of the string method to the study of critical nuclei in capillary condensation.

PubMed

Qiu, Chunyin; Qian, Tiezheng; Ren, Weiqing

2008-10-21

We adopt a continuum description for liquid-vapor phase transition in the framework of mean-field theory and use the string method to numerically investigate the critical nuclei for capillary condensation in a slit pore. This numerical approach allows us to determine the critical nuclei corresponding to saddle points of the grand potential function in which the chemical potential is given in the beginning. The string method locates the minimal energy path (MEP), which is the most probable transition pathway connecting two metastable/stable states in configuration space. From the MEP, the saddle point is determined and the corresponding energy barrier also obtained (for grand potential). Moreover, the MEP shows how the new phase (liquid) grows out of the old phase (vapor) along the most probable transition pathway, from the birth of a critical nucleus to its consequent expansion. Our calculations run from partial wetting to complete wetting with a variable strength of attractive wall potential. In the latter case, the string method presents a unified way for computing the critical nuclei, from film formation at solid surface to bulk condensation via liquid bridge. The present application of the string method to the numerical study of capillary condensation shows the great power of this method in evaluating the critical nuclei in various liquid-vapor phase transitions.

Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids.

PubMed

Diedenhofen, Michael; Klamt, Andreas; Marsh, Kenneth; Schäfer, Ansgar

2007-09-07

The vapor pressures and vaporization enthalpies of a series of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids have been predicted with two different approaches using the COSMO-RS method and quantum chemical gas phase calculations. While the calculated enthalpies are in good agreement with the experimental data, COSMO-RS seems to underestimate the vapor pressures by roughly 0.5-4 log units dependent on the IL and approach used.

Low-Cost Approaches to III–V Semiconductor Growth for Photovoltaic Applications

DOE PAGES

Greenaway, Ann L.; Boucher, Jason W.; Oener, Sebastian Z.; ...

2017-08-31

III–V semiconductors form the most efficient single- and multijunction photovoltaics. Metal–organic vapor-phase epitaxy, which uses toxic and pyrophoric gas-phase precursors, is the primary commercial growth method for these materials. In order for the use of highly efficient III–V-based devices to be expanded as the demand for renewable electricity grows, a lower-cost approach to the growth of these materials is needed. This Review focuses on three deposition techniques compatible with current device architectures: hydride vapor-phase epitaxy, close-spaced vapor transport, and thin-film vapor–liquid–solid growth. Here, we consider recent advances in each technique, including the available materials space, before providing an in-depth comparisonmore » of growth technology advantages and limitations and considering the impact of modifications to the method of production on the cost of the final photovoltaics.« less

Measuring Vapor Pressure with an Isoteniscope: A Hands-on Introduction to Thermodynamic Concepts

ERIC Educational Resources Information Center

Chen, Wenqian; Haslam, Andrew J.; Macey, Andrew; Shah, Umang V.; Brechtelsbauer, Clemens

2016-01-01

Characterization of the vapor pressure of a volatile liquid or azeotropic mixture, and its fluid phase diagram, can be achieved with an isoteniscope and an industrial grade digital pressure sensor using the experimental method reported in this study. We describe vapor-pressure measurements of acetone and n-hexane and their azeotrope, and how the…

Thermodynamic Activity Measurements with Knudsen Cell Mass Spectrometry

NASA Technical Reports Server (NTRS)

Copland, Evan H.; Jacobson, Nathan S.

2001-01-01

Coupling the Knudsen effusion method with mass spectrometry has proven to be one of the most useful experimental techniques for studying the equilibrium between condensed phases and complex vapors. The Knudsen effusion method involves placing a condensed sample in a Knudsen cell, a small "enclosure", that is uniformly heated and held until equilibrium is attained between the condensed and vapor phases. The vapor is continuously sampled by effusion through a small orifice in the cell. A molecular beam is formed from the effusing vapor and directed into a mass spectrometer for identification and pressure measurement of the species in the vapor phase. Knudsen cell mass spectrometry (KCMS) has been used for nearly fifty years now and continues to be a leading technique for obtaining thermodynamic data. Indeed, much of the well-established vapor specie data in the JANAF tables has been obtained from this technique. This is due to the extreme versatility of the technique. All classes of materials can be studied and all constituents of the vapor phase can be measured over a wide range of pressures (approximately 10(exp -4) to 10(exp -11) bar) and temperatures (500-2800 K). The ability to selectively measure different vapor species makes KCMS a very powerful tool for the measurement of component activities in metallic and ceramic solutions. Today several groups are applying KCMS to measure thermodynamic functions in multicomponent metallic and ceramic systems. Thermodynamic functions, especially component activities, are extremely important in the development of CALPHAD (Calculation of Phase Diagrams) type thermodynamic descriptions. These descriptions, in turn, are useful for modeling materials processing and predicting reactions such as oxide formation and fiber/matrix interactions. The leading experimental methods for measuring activities are the Galvanic cell or electro-motive force (EMF) technique and the KCMS technique. Each has specific advantages, depending on material and conditions. The EMF technique is suitable for lower temperature measurements, provided a suitable cell can be constructed. KCMS is useful for higher temperature measurements in a system with volatile components. In this paper, we briefly review the KCMS technique and identify the major experimental issues that must be addressed for precise measurements. These issues include temperature measurements, cell material and cell design and absolute pressure calibration. The resolution of these issues are discussed together with some recent examples of measured thermodynamic data.

On The Validity of the Assumed PDF Method for Modeling Binary Mixing/Reaction of Evaporated Vapor in GAS/Liquid-Droplet Turbulent Shear Flow

NASA Technical Reports Server (NTRS)

Miller, R. S.; Bellan, J.

1997-01-01

An Investigation of the statistical description of binary mixing and/or reaction between a carrier gas and an evaporated vapor species in two-phase gas-liquid turbulent flows is perfomed through both theroetical analysis and comparisons with results from direct numerical simulations (DNS) of a two-phase mixing layer.

Development of Simulation Methods in the Gibbs Ensemble to Predict Polymer-Solvent Phase Equilibria

NASA Astrophysics Data System (ADS)

Gartner, Thomas; Epps, Thomas; Jayaraman, Arthi

Solvent vapor annealing (SVA) of polymer thin films is a promising method for post-deposition polymer film morphology control. The large number of important parameters relevant to SVA (polymer, solvent, and substrate chemistries, incoming film condition, annealing and solvent evaporation conditions) makes systematic experimental study of SVA a time-consuming endeavor, motivating the application of simulation and theory to the SVA system to provide both mechanistic insight and scans of this wide parameter space. However, to rigorously treat the phase equilibrium between polymer film and solvent vapor while still probing the dynamics of SVA, new simulation methods must be developed. In this presentation, we compare two methods to study polymer-solvent phase equilibrium-Gibbs Ensemble Molecular Dynamics (GEMD) and Hybrid Monte Carlo/Molecular Dynamics (Hybrid MC/MD). Liquid-vapor equilibrium results are presented for the Lennard Jones fluid and for coarse-grained polymer-solvent systems relevant to SVA. We found that the Hybrid MC/MD method is more stable and consistent than GEMD, but GEMD has significant advantages in computational efficiency. We propose that Hybrid MC/MD simulations be used for unfamiliar systems in certain choice conditions, followed by much faster GEMD simulations to map out the remainder of the phase window.

Synthesis of alloys with controlled phase structure

DOEpatents

Guthrie, Stephen Everett; Thomas, George John; Bauer, Walter; Yang, Nancy Yuan Chi

1999-04-20

A method for preparing controlled phase alloys useful for engineering and hydrogen storage applications. This novel method avoids melting the constituents by employing vapor transport, in a hydrogen atmosphere, of an active metal constituent, having a high vapor pressure at temperatures .apprxeq.300 C. and its subsequent condensation on and reaction with the other constituent (substrate) of an alloy thereby forming a controlled phase alloy and preferably a single phase alloy. It is preferred that the substrate material be a metal powder such that diffusion of the active metal constituent, preferably magnesium, and reaction therewith can be completed within a reasonable time and at temperatures .apprxeq.300 C. thereby avoiding undesirable effects such as sintering, local compositional inhomogeneities, segregation, and formation of unwanted second phases such as intermetallic compounds.

Synthesis of alloys with controlled phase structure

DOEpatents

Guthrie, S.E.; Thomas, G.J.; Bauer, W.; Yang, N.Y.C.

1999-04-20

A method is described for preparing controlled phase alloys useful for engineering and hydrogen storage applications. This novel method avoids melting the constituents by employing vapor transport, in a hydrogen atmosphere, of an active metal constituent, having a high vapor pressure at temperatures {approx_equal}300 C and its subsequent condensation on and reaction with the other constituent (substrate) of an alloy thereby forming a controlled phase alloy and preferably a single phase alloy. It is preferred that the substrate material be a metal powder such that diffusion of the active metal constituent, preferably magnesium, and reaction therewith can be completed within a reasonable time and at temperatures {approx_equal}300 C thereby avoiding undesirable effects such as sintering, local compositional inhomogeneities, segregation, and formation of unwanted second phases such as intermetallic compounds. 4 figs.

Method and apparatus for pressurizing a liquefied gas

DOEpatents

Bingham, Dennis N.

2005-07-26

Apparatus providing at least one thermoelectric device for pressurizing a liquefied gas container and methods employing same are disclosed. A thermoelectric device including a heating surface and a cooling surface is used for pressurizing a container by vaporizing liquefied gas within the container by transferring heat energy from a portion of the liquefied gas in contact with the cooling surface to another portion of the liquefied gas in contact with the heating surface of the thermoelectric device to convert some of the liquefied gas to a vapor state. Liquefied gas vapor and/or liquid phase may be supplied by disclosed apparatus and methods. The apparatus may also be used as a vapor pump or a liquid pump, or fluid pump. Methods of operation are also disclosed.

A two phase Mach number description of the equilibrium flow of nitrogen in ducts

NASA Technical Reports Server (NTRS)

Bursik, J. W.; Hall, R. M.; Adcock, J. B.

1979-01-01

Some additional thermodynamic properties of the usual two-phase form which is linear in the moisture fraction are derived which are useful in the analysis of many kinds of duct flow. The method used is based on knowledge of the vapor pressure and Gibbs function as functions of temperature. With these, additional two-phase functions linear in moisture fraction are generated, which ultimately reveal that the squared ratio of mixture specific volume to mixture sound speed depends on liquid mass fraction and temperature in the same manner as do many weighted mean two-phase properties. This leads to a simple method of calculating two-phase Mach numbers for various duct flows. The matching of one- and two-phase flows at a saturated vapor point with discontinuous Mach number is also discussed.

Analytical study of the liquid phase transient behavior of a high temperature heat pipe. M.S. Thesis

NASA Technical Reports Server (NTRS)

Roche, Gregory Lawrence

1988-01-01

The transient operation of the liquid phase of a high temperature heat pipe is studied. The study was conducted in support of advanced heat pipe applications that require reliable transport of high temperature drops and significant distances under a broad spectrum of operating conditions. The heat pipe configuration studied consists of a sealed cylindrical enclosure containing a capillary wick structure and sodium working fluid. The wick is an annular flow channel configuration formed between the enclosure interior wall and a concentric cylindrical tube of fine pore screen. The study approach is analytical through the solution of the governing equations. The energy equation is solved over the pipe wall and liquid region using the finite difference Peaceman-Rachford alternating direction implicit numerical method. The continuity and momentum equations are solved over the liquid region by the integral method. The energy equation and liquid dynamics equation are tightly coupled due to the phase change process at the liquid-vapor interface. A kinetic theory model is used to define the phase change process in terms of the temperature jump between the liquid-vapor surface and the bulk vapor. Extensive auxiliary relations, including sodium properties as functions of temperature, are used to close the analytical system. The solution procedure is implemented in a FORTRAN algorithm with some optimization features to take advantage of the IBM System/370 Model 3090 vectorization facility. The code was intended for coupling to a vapor phase algorithm so that the entire heat pipe problem could be solved. As a test of code capabilities, the vapor phase was approximated in a simple manner.

Consistent simulation of droplet evaporation based on the phase-field multiphase lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Safari, Hesameddin; Rahimian, Mohammad Hassan; Krafczyk, Manfred

2014-09-01

In the present article, we extend and generalize our previous article [H. Safari, M. H. Rahimian, and M. Krafczyk, Phys. Rev. E 88, 013304 (2013), 10.1103/PhysRevE.88.013304] to include the gradient of the vapor concentration at the liquid-vapor interface as the driving force for vaporization allowing the evaporation from the phase interface to work for arbitrary temperatures. The lattice Boltzmann phase-field multiphase modeling approach with a suitable source term, accounting for the effect of the phase change on the velocity field, is used to solve the two-phase flow field. The modified convective Cahn-Hilliard equation is employed to reconstruct the dynamics of the interface topology. The coupling between the vapor concentration and temperature field at the interface is modeled by the well-known Clausius-Clapeyron correlation. Numerous validation tests including one-dimensional and two-dimensional cases are carried out to demonstrate the consistency of the presented model. Results show that the model is able to predict the flow features around and inside an evaporating droplet quantitatively in quiescent as well as convective environments.

Consistent simulation of droplet evaporation based on the phase-field multiphase lattice Boltzmann method.

PubMed

Safari, Hesameddin; Rahimian, Mohammad Hassan; Krafczyk, Manfred

2014-09-01

In the present article, we extend and generalize our previous article [H. Safari, M. H. Rahimian, and M. Krafczyk, Phys. Rev. E 88, 013304 (2013)] to include the gradient of the vapor concentration at the liquid-vapor interface as the driving force for vaporization allowing the evaporation from the phase interface to work for arbitrary temperatures. The lattice Boltzmann phase-field multiphase modeling approach with a suitable source term, accounting for the effect of the phase change on the velocity field, is used to solve the two-phase flow field. The modified convective Cahn-Hilliard equation is employed to reconstruct the dynamics of the interface topology. The coupling between the vapor concentration and temperature field at the interface is modeled by the well-known Clausius-Clapeyron correlation. Numerous validation tests including one-dimensional and two-dimensional cases are carried out to demonstrate the consistency of the presented model. Results show that the model is able to predict the flow features around and inside an evaporating droplet quantitatively in quiescent as well as convective environments.

Isobaric molecular dynamics version of the generalized replica exchange method (gREM): Liquid–vapor equilibrium

DOE PAGES

Malolepsza, Edyta; Secor, Maxim; Keyes, Tom

2015-09-23

A prescription for sampling isobaric generalized ensembles with molecular dynamics is presented and applied to the generalized replica exchange method (gREM), which was designed for simulating first-order phase transitions. The properties of the isobaric gREM ensemble are discussed and a study is presented of the liquid-vapor equilibrium of the guest molecules given for gas hydrate formation with the mW water model. As a result, phase diagrams, critical parameters, and a law of corresponding states are obtained.

Heat pipe dynamic behavior

NASA Technical Reports Server (NTRS)

Issacci, F.; Roche, G. L.; Klein, D. B.; Catton, I.

1988-01-01

The vapor flow in a heat pipe was mathematically modeled and the equations governing the transient behavior of the core were solved numerically. The modeled vapor flow is transient, axisymmetric (or two-dimensional) compressible viscous flow in a closed chamber. The two methods of solution are described. The more promising method failed (a mixed Galerkin finite difference method) whereas a more common finite difference method was successful. Preliminary results are presented showing that multi-dimensional flows need to be treated. A model of the liquid phase of a high temperature heat pipe was developed. The model is intended to be coupled to a vapor phase model for the complete solution of the heat pipe problem. The mathematical equations are formulated consistent with physical processes while allowing a computationally efficient solution. The model simulates time dependent characteristics of concern to the liquid phase including input phase change, output heat fluxes, liquid temperatures, container temperatures, liquid velocities, and liquid pressure. Preliminary results were obtained for two heat pipe startup cases. The heat pipe studied used lithium as the working fluid and an annular wick configuration. Recommendations for implementation based on the results obtained are presented. Experimental studies were initiated using a rectangular heat pipe. Both twin beam laser holography and laser Doppler anemometry were investigated. Preliminary experiments were completed and results are reported.

Determination of microstickies in recycled whitewater by headspace gas chromatography.

PubMed

Chai, X-S; Samp, J C; Yang, Q F; Song, H N; Zhang, D C; Zhu, J Y

2006-03-03

This study proposed a novel headspace gas chromatographic (HS-GC) method for determination of adhesive contaminants (microstickies) in recycled whitewater, a fiber containing process stream, in the paper mill. It is based on the adsorption behavior of toluene (as a tracer) on the hydrophobic surface of microstickies, which affects the apparent vapor-liquid equilibration partitioning of toluene. It was found that the equilibrium concentration of toluene in the vapor phase is inversely proportional to the apparent effective surface area of microstickies that remain in the corresponding solution. Thus, the amount of microsticky materials in the recycled whitewater can be quantified by HS-GC via indirect measurement of the toluene content in the vapor phase of the sample without any pretreatment. The presented method is simple, rapid and automated.

Determination of the solubility of inorganic salts by headspace gas chromatography.

PubMed

Chai, X S; Zhu, J Y

2003-05-09

This work reports a novel method for determination of salt solubility using headspace gas chromatography. A very small amount of volatile compound (such as methanol) is added in the studied solution. Due to the molecular interaction in the solution, the vapor-liquid equilibrium (VLE) partitioning coefficient of the volatile species will change with different salt contents in the solution. Therefore, the concentration of volatile species in the vapor phase is proportional to the salt concentration in the liquid phase, which can be easily determined by headspace gas chromatography. Until the salt concentration in the solution is saturated, the concentration of volatile compound in the vapor phase will continue to increase further and a breakpoint will appear on the VLE curve. The solubility of the salts can be determined by the identification of the breakpoint. It was found that the measured solubility of sodium carbonate and sodium sulfate in aqueous solutions is slightly higher (about 6-7%) than those reported in the literature method. The present method can be easily applied to industrial solution systems.

End plate assembly having a two-phase fluid-filled bladder and method for compressing a fuel cell stack

DOEpatents

Carlstrom, Jr., Charles M.

2001-01-01

An end plate assembly is disclosed for use in a fuel cell assembly in which the end plate assembly includes a housing having a cavity, and a bladder receivable in the cavity and engageable with the fuel cell stack. The bladder includes a two-phase fluid having a liquid portion and a vapor portion. Desirably, the two-phase fluid has a vapor pressure between about 100 psi and about 600 psi at a temperature between about 70 degrees C. to about 110 degrees C.

Novel characterization of the aerosol and gas-phase composition of aerosolized jet fuel.

PubMed

Tremblay, Raphael T; Martin, Sheppard A; Fisher, Jeffrey W

2010-04-01

Few robust methods are available to characterize the composition of aerosolized complex hydrocarbon mixtures. The difficulty in separating the droplets from their surrounding vapors and preserving their content is challenging, more so with fuels, which contain hydrocarbons ranging from very low to very high volatility. Presented here is a novel method that uses commercially available absorbent tubes to measure a series of hydrocarbons in the vapor and droplets from aerosolized jet fuels. Aerosol composition and concentrations were calculated from the differential between measured total (aerosol and gas-phase) and measured gas-phase concentrations. Total samples were collected directly, whereas gas-phase only samples were collected behind a glass fiber filter to remove droplets. All samples were collected for 1 min at 400 ml min(-1) and quantified using thermal desorption-gas chromatography-mass spectrometry. This method was validated for the quantification of the vapor and droplet content from 4-h aerosolized jet fuel exposure to JP-8 and S-8 at total concentrations ranging from 200 to 1000 mg/m(3). Paired samples (gas-phase only and total) were collected every approximately 40 min. Calibrations were performed with neat fuel to calculate total concentration and also with a series of authentic standards to calculate specific compound concentrations. Accuracy was good when compared to an online GC-FID (gas chromatography-flame ionization detection) technique. Variability was 15% or less for total concentrations, the sum of all gas-phase compounds, and for most specific compound concentrations in both phases. Although validated for jet fuels, this method can be adapted to other hydrocarbon-based mixtures.

On the synthesis of AlPO4-21 molecular sieve by vapor phase transport method and its phase transformation to AlPO4-15 molecular sieve

NASA Astrophysics Data System (ADS)

Shao, Hui; Chen, Jingjing; Chen, Xia; Leng, Yixin; Zhong, Jing

2015-04-01

An experimental design was applied to the synthesis of AlPO4-21 molecular sieve (AWO structure) by vapor phase transport (VPT) method, using tetramethylguanidine (TMG) as the template. In this study, the effects of crystallization time, crystallization temperature, phosphor content, template content and water content in the synthesis gel were investigated. The materials obtained were characterized by X-ray diffraction, scanning electron microscopy and fourier transform infrared spectroscopy (FT-IR). Microstructural analysis of the crystal growth in vapor synthetic conditions revealed a revised crystal growth route from zeolite AlPO4-21 to AlPO4-15 in the presence of the TMG. Homogenous hexagonal prism AlPO4-21 crystals with size of 7 × 3 μm were synthesized at a lower temperature (120 °C), which were completely different from the typical tabular parallelogram crystallization microstructure of AlPO4-21 phase. The crystals were transformed into AlPO4-21 phase with higher crystallization temperature, longer crystallization time, higher P2O5/Al2O3 ratio and higher TMG/Al2O3 ratio.

Direct calculation of liquid-vapor phase equilibria from transition matrix Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Errington, Jeffrey R.

2003-06-01

An approach for directly determining the liquid-vapor phase equilibrium of a model system at any temperature along the coexistence line is described. The method relies on transition matrix Monte Carlo ideas developed by Fitzgerald, Picard, and Silver [Europhys. Lett. 46, 282 (1999)]. During a Monte Carlo simulation attempted transitions between states along the Markov chain are monitored as opposed to tracking the number of times the chain visits a given state as is done in conventional simulations. Data collection is highly efficient and very precise results are obtained. The method is implemented in both the grand canonical and isothermal-isobaric ensemble. The main result from a simulation conducted at a given temperature is a density probability distribution for a range of densities that includes both liquid and vapor states. Vapor pressures and coexisting densities are calculated in a straightforward manner from the probability distribution. The approach is demonstrated with the Lennard-Jones fluid. Coexistence properties are directly calculated at temperatures spanning from the triple point to the critical point.

Determination of vapor pressures for nonpolar and semipolar organic compounds from gas chromatographic retention data

USGS Publications Warehouse

Hinckley, D.A.; Bidleman, T.F.; Foreman, W.T.; Tuschall, J.R.

1990-01-01

Vapor pressures for nonpolar and moderately polar organochlorine, pyrethroid, and organophosphate insecticides, phthalate esters, and organophosphate flame retardants were determined by capillary gas chromatography (GC). Organochlorines and polycyclic aromatic hydrocarbons with known liquid-phase vapor pressures (P??L) (standard compounds) were chromatographed along with two reference compounds n-C20 (elcosane) and p,p???-DDT on a 1.0-m-long poly(dimethylsiloxane) bonded-phase (BP-1) column to determine their vapor pressures by GC (P??GC). A plot of log P??L vs log P??GC for standard compounds was made to establish a correlation between measured and literature values, and this correlation was then used to compute P??L of test compounds from their measured P??GC. P??L of seven major components of technical chlordane, endosulfan and its metabolites, ??-hexachlorocyclohexane, mirex, and two components of technical toxaphene were determined by GC. This method provides vapor pressures within a factor of 2 of average literature values for nonpolar compounds, similar to reported interlaboratory precisions of vapor pressure determinations. GC tends to overestimate vapor pressures of moderately polar compounds. ?? 1990 American Chemical Society.

Effect of Channel Geometry and Properties of a Vapor-Gas Mixture on Volume Condensation in a Flow through a Nozzle

NASA Astrophysics Data System (ADS)

Sidorov, A. A.; Yastrebov, A. K.

2018-01-01

A method of direct numerical solution of the kinetic equation for the droplet size distribution function was used for the numerical investigation of volume condensation in a supersonic vapor-gas flow. Distributions of temperature for the gas phase and droplets, degree of supersaturation, pressure, fraction of droplets by weight, the number of droplets per unit mass, and of the nucleation rate along the channel were determined. The influence of nozzle geometry, mixture composition, and temperature dependence of the mixture properties on the investigated process was evaluated. It has been found that the nozzle divergence angle determines the vapor-gas mixture expansion rate: an increase in the divergence angle enhances the temperature decrease rate and the supersaturation degree raise rate. With an increase or decrease in the partial pressure of incondensable gas, the droplet temperature approaches the gas phase temperature or the saturation temperature at the partial gas pressure, respectively. A considerable effect of the temperature dependence of the liquid surface tension and properties on gas phase parameters and the integral characteristics of condensation aerosol was revealed. However, the difference in results obtained with or without considering the temperature dependence of evaporation heat is negligible. The predictions are compared with experimental data of other investigations for two mixtures: a mixture of heavy water vapor with nitrogen (incondensable gas) or n-nonane vapor with nitrogen. The predictions agree quite well qualitatively and quantitatively with the experiment. The comparison of the predictions with numerical results from other publications obtained using the method of moments demonstrates the usefulness of the direct numerical solution method and the method of moments in a wide range of input data.

Method of varying a characteristic of an optical vertical cavity structure formed by metalorganic vapor phase epitaxy

DOEpatents

Hou, Hong Q.; Coltrin, Michael E.; Choquette, Kent D.

2001-01-01

A process for forming an array of vertical cavity optical resonant structures wherein the structures in the array have different detection or emission wavelengths. The process uses selective area growth (SAG) in conjunction with annular masks of differing dimensions to control the thickness and chemical composition of the materials in the optical cavities in conjunction with a metalorganic vapor phase epitaxy (MOVPE) process to build these arrays.

Monitoring water phase dynamics in winter clouds

NASA Astrophysics Data System (ADS)

Campos, Edwin F.; Ware, Randolph; Joe, Paul; Hudak, David

2014-10-01

This work presents observations of water phase dynamics that demonstrate the theoretical Wegener-Bergeron-Findeisen concepts in mixed-phase winter storms. The work analyzes vertical profiles of air vapor pressure, and equilibrium vapor pressure over liquid water and ice. Based only on the magnitude ranking of these vapor pressures, we identified conditions where liquid droplets and ice particles grow or deplete simultaneously, as well as the conditions where droplets evaporate and ice particles grow by vapor diffusion. The method is applied to ground-based remote-sensing observations during two snowstorms, using two distinct microwave profiling radiometers operating in different climatic regions (North American Central High Plains and Great Lakes). The results are compared with independent microwave radiometer retrievals of vertically integrated liquid water, cloud-base estimates from a co-located ceilometer, reflectivity factor and Doppler velocity observations by nearby vertically pointing radars, and radiometer estimates of liquid water layers aloft. This work thus makes a positive contribution toward monitoring and nowcasting the evolution of supercooled droplets in winter clouds.

Monitoring water phase dynamics in winter clouds

DOE PAGES

Campos, Edwin F.; Ware, Randolph; Joe, Paul; ...

2014-10-01

This work presents observations of water phase dynamics that demonstrate the theoretical Wegener–Bergeron–Findeisen concepts in mixed-phase winter storms. The work analyzes vertical profiles of air vapor pressure, and equilibrium vapor pressure over liquid water and ice. Based only on the magnitude ranking of these vapor pressures, we identified conditions where liquid droplets and ice particles grow or deplete simultaneously, as well as the conditions where droplets evaporate and ice particles grow by vapor diffusion. The method is applied to ground-based remote-sensing observations during two snowstorms, using two distinct microwave profiling radiometers operating in different climatic regions (North American Central Highmore » Plains and Great Lakes). The results are compared with independent microwave radiometer retrievals of vertically integrated liquid water, cloud-base estimates from a co-located ceilometer, reflectivity factor and Doppler velocity observations by nearby vertically pointing radars, and radiometer estimates of liquid water layers aloft. This work thus makes a positive contribution toward monitoring and now casting the evolution of supercooled droplets in winter clouds.« less

Macroscopic modeling of heat and water vapor transfer with phase change in dry snow based on an upscaling method: Influence of air convection

NASA Astrophysics Data System (ADS)

Calonne, N.; Geindreau, C.; Flin, F.

2015-12-01

At the microscopic scale, i.e., pore scale, dry snow metamorphism is mainly driven by the heat and water vapor transfer and the sublimation-deposition process at the ice-air interface. Up to now, the description of these phenomena at the macroscopic scale, i.e., snow layer scale, in the snowpack models has been proposed in a phenomenological way. Here we used an upscaling method, namely, the homogenization of multiple-scale expansions, to derive theoretically the macroscopic equivalent modeling of heat and vapor transfer through a snow layer from the physics at the pore scale. The physical phenomena under consideration are steady state air flow, heat transfer by conduction and convection, water vapor transfer by diffusion and convection, and phase change (sublimation and deposition). We derived three different macroscopic models depending on the intensity of the air flow considered at the pore scale, i.e., on the order of magnitude of the pore Reynolds number and the Péclet numbers: (A) pure diffusion, (B) diffusion and moderate convection (Darcy's law), and (C) strong convection (nonlinear flow). The formulation of the models includes the exact expression of the macroscopic properties (effective thermal conductivity, effective vapor diffusion coefficient, and intrinsic permeability) and of the macroscopic source terms of heat and vapor arising from the phase change at the pore scale. Such definitions can be used to compute macroscopic snow properties from 3-D descriptions of snow microstructures. Finally, we illustrated the precision and the robustness of the proposed macroscopic models through 2-D numerical simulations.

Sol–gel synthesis of MCM-41 silicas and selective vapor-phase modification of their surface

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

Roik, N.V., E-mail: roik_nadya@ukr.net; Belyakova, L.A.

2013-11-15

Silica particles with uniform hexagonal mesopore architecture were synthesized by template directed sol–gel condensation of tetraethoxysilane or mixture of tetraethoxysilane and (3-chloropropyl)triethoxysilane in a water–ethanol–ammonia solution. Selective functionalization of exterior surface of parent materials was carried out by postsynthetic treatment of template-filled MCM-41 and Cl-MCM-41 with vapors of (3-chloropropyl)triethoxysilane and 1,2-ethylenediamine in vacuum. The chemical composition of obtained mesoporous silicas was estimated by IR spectroscopy and chemical analysis of surface products of reactions. Characteristics of porous structure of resulting materials were determined from the data of X-ray, low-temperature nitrogen ad-desorption and transmission electron microscopy measurements. Obtained results confirm invariability ofmore » highly ordered mesoporous structure of MCM-41 and Cl-MCM-41 after their selective postsynthetic modification in vapor phase. It was proved that proposed method of vapor-phase functionalization of template-filled starting materials is not accompanied by dissolution of the template and chemical modification of pores surface. This provides preferential localization of grafted functional groups onto the exterior surface of mesoporous silicas. - Graphical abstract: Sol–gel synthesis and postsynthetic chemical modification of template-filled MCM-41 and Cl-MCM-41 with (3-chloropropyl)triethoxysilane and 1,2-ethylenediamine in vapor phase. Display Omitted - Highlights: • Synthesis of MCM-41 silica by template directed sol–gel condensation. • Selective vapor-phase functionalization of template-filled silica particles. • Preferential localization of grafted groups onto the exterior surface of mesoporous silicas.« less

Phase-transition thresholds and vaporization phenomena for ultrasound phase-change nanoemulsions assessed via high speed optical microscopy

PubMed Central

Sheeran, Paul S.; Matsunaga, Terry O.; Dayton, Paul A.

2015-01-01

Ultrasonically activated phase-change contrast agents (PCCAs) based on perfluorocarbon droplets have been proposed for a variety of therapeutic and diagnostic clinical applications. When generated at the nanoscale, droplets may be small enough to exit the vascular space and then be induced to vaporize with high spatial and temporal specificity by externally-applied ultrasound. The use of acoustical techniques for optimizing ultrasound parameters for given applications can be a significant challenge for nanoscale PCCAs due to the contributions of larger outlier droplets. Similarly, optical techniques can be a challenge due to the sub-micron size of nanodroplet agents and resolution limits of optical microscopy. In this study, an optical method for determining activation thresholds of nanoscale emulsions based on the in vitro distribution of bubbles resulting from vaporization of PCCAs after single, short (<10 cycles) ultrasound pulses is evaluated. Through ultra-high-speed microscopy it is shown that the bubbles produced early in the pulse from vaporized droplets are strongly affected by subsequent cycles of the vaporization pulse, and these effects increase with pulse length. Results show that decafluorobutane nanoemulsions with peak diameters on the order of 200 nm can be optimally vaporized with short pulses using pressures amenable to clinical diagnostic ultrasound machines. PMID:23760161

Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of silicon

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

Desgranges, Caroline; Delhommelle, Jerome

We extend Expanded Wang-Landau (EWL) simulations beyond classical systems and develop the EWL method for systems modeled with a tight-binding Hamiltonian. We then apply the method to determine the partition function and thus all thermodynamic properties, including the Gibbs free energy and entropy, of the fluid phases of Si. We compare the results from quantum many-body (QMB) tight binding models, which explicitly calculate the overlap between the atomic orbitals of neighboring atoms, to those obtained with classical many-body (CMB) force fields, which allow to recover the tetrahedral organization in condensed phases of Si through, e.g., a repulsive 3-body term thatmore » favors the ideal tetrahedral angle. Along the vapor-liquid coexistence, between 3000 K and 6000 K, the densities for the two coexisting phases are found to vary significantly (by 5 orders of magnitude for the vapor and by up to 25% for the liquid) and to provide a stringent test of the models. Transitions from vapor to liquid are predicted to occur for chemical potentials that are 10%–15% higher for CMB models than for QMB models, and a ranking of the force fields is provided by comparing the predictions for the vapor pressure to the experimental data. QMB models also reveal the formation of a gap in the electronic density of states of the coexisting liquid at high temperatures. Subjecting Si to a nanoscopic confinement has a dramatic effect on the phase diagram with, e.g. at 6000 K, a decrease in liquid densities by about 50% for both CMB and QMB models and an increase in vapor densities between 90% (CMB) and 170% (QMB). The results presented here provide a full picture of the impact of the strategy (CMB or QMB) chosen to model many-body effects on the thermodynamic properties of the fluid phases of Si.« less

Vapors-liquid phase separator. [infrared telescope heat sink

NASA Technical Reports Server (NTRS)

Frederking, T. H. K.; Brown, G. S.; Chuang, C.; Kamioka, Y.; Kim, Y. I.; Lee, J. M.; Yuan, S. W. K.

1980-01-01

The use of porous plugs, mostly with in the form of passive devices with constant area were considered as vapor-liquid phase separators for helium 2 storage vessels under reduced gravity. The incorporation of components with variable cross sectional area as a method of flow rate modification was also investigated. A particular device which uses a shutter-type system for area variation was designed and constructed. This system successfully permitted flor rate changes of up to plus or minus 60% from its mean value.

ALMA Long Baseline Campaigns: Phase Characteristics of Atmosphere at Long Baselines in the Millimeter and Submillimeter Wavelengths

NASA Astrophysics Data System (ADS)

Matsushita, Satoki; Asaki, Yoshiharu; Fomalont, Edward B.; Morita, Koh-Ichiro; Barkats, Denis; Hills, Richard E.; Kawabe, Ryohei; Maud, Luke T.; Nikolic, Bojan; Tilanus, Remo P. J.; Vlahakis, Catherine; Whyborn, Nicholas D.

2017-03-01

We present millimeter- and submillimeter-wave phase characteristics measured between 2012 and 2014 of Atacama Large Millimeter/submillimeter Array long baseline campaigns. This paper presents the first detailed investigation of the characteristics of phase fluctuation and phase correction methods obtained with baseline lengths up to ˜15 km. The basic phase fluctuation characteristics can be expressed with the spatial structure function (SSF). Most of the SSFs show that the phase fluctuation increases as a function of baseline length, with a power-law slope of ˜0.6. In many cases, we find that the slope becomes shallower (average of ˜0.2-0.3) at baseline lengths longer than ˜1 km, namely showing a turn-over in SSF. These power law slopes do not change with the amount of precipitable water vapor (PWV), but the fitted constants have a weak correlation with PWV, so that the phase fluctuation at a baseline length of 10 km also increases as a function of PWV. The phase correction method using water vapor radiometers (WVRs) works well, especially for the cases where PWV > 1 {mm}, which reduces the degree of phase fluctuations by a factor of two in many cases. However, phase fluctuations still remain after the WVR phase correction, suggesting the existence of other turbulent constituent that cause the phase fluctuation. This is supported by occasional SSFs that do not exhibit any turn-over; these are only seen when the PWV is low (i.e., when the WVR phase correction works less effectively) or after WVR phase correction. This means that the phase fluctuation caused by this turbulent constituent is inherently smaller than that caused by water vapor. Since in these rare cases there is no turn-over in the SSF up to the maximum baseline length of ˜15 km, this turbulent constituent must have scale height of 10 km or more, and thus cannot be water vapor, whose scale height is around 1 km. Based on the characteristics, this large scale height turbulent constituent is likely to be water ice or a dry component. Excess path length fluctuation after the WVR phase correction at a baseline length of 10 km is large (≳ 200 μ {{m}}), which is significant for high frequency (> 450 {GHz} or < 700 μ {{m}}) observations. These results suggest the need for an additional phase correction method to reduce the degree of phase fluctuation, such as fast switching, in addition to the WVR phase correction. We simulated the fast switching phase correction method using observations of single quasars, and the result suggests that it works well, with shorter cycle times linearly improving the coherence.

Atmospheric phase characteristics of the ALMA long baseline

NASA Astrophysics Data System (ADS)

Matsushita, Satoki; Asaki, Yoshiharu; Fomalont, Edward B.; Barkats, Denis; Corder, Stuartt A.; Hills, Richard E.; Kawabe, Ryohei; Maud, Luke T.; Morita, Koh-Ichiro; Nikolic, Bojan; Tilanus, Remo P. J.; Vlahakis, Catherine

2016-07-01

Atacama Large Millimeter/submillimeter Array (ALMA) is the world's largest millimeter/ submillimeter (mm / Submm) interferometer. Along with science observations, ALMA has performed several long baseline campaigns in the last 6 years to characterize and optimize its long baseline capabilities. To achieve full long baseline capability of ALMA, it is important to understand the characteristics of atmospheric phase fluctuation at long baselines, since it is believed to be the main cause of mm/submm image degradation. For the first time, we present detailed properties of atmospheric phase fluctuation at mm/submm wavelength from baselines up to 15 km in length. Atmospheric phase fluctuation increases as a function of baseline length with a power-law slope close to 0.6, and many of the data display a shallower slope (02.-03) at baseline length greater than about 15 km. Some of the data, on the other hand, show a single slope up to the maximum baseline length of around 15 km. The phase correction method based on water vapor radiometers (WVRs) works well, especially for cases with precipitable water vapor (PWV) greater than 1 mm, typically yielding a 50% decrease or more in the degree of phase fluctuation. However, signicant amount of atmospheric phase fluctuation still remains after the WVR phase correction: about 200 micron in rms excess path length (rms phase fluctuation in unit of length) even at PWV less than 1 mm. This result suggests the existence of other non-water-vapor sources of phase fluctuation. and emphasizes the need for additional phase correction methods, such as band-to-band and/or fast switching.

Methods for calculation of engineering parameters for gas separation. [vapor pressure and solubility of gases in organic liquids

NASA Technical Reports Server (NTRS)

Lawson, D. D.

1979-01-01

A group additivity method is generated which allows estimation, from the structural formulas alone, of the energy of vaporization and the molar volume at 25 C of many nonpolar organic liquids. Using these two parameters and appropriate thermodynamic relations, the vapor pressure of the liquid phase and the solubility of various gases in nonpolar organic liquids are predicted. It is also possible to use the data to evaluate organic and some inorganic liquids for use in gas separation stages or liquids as heat exchange fluids in prospective thermochemical cycles for hydrogen production.

Phase equilibrium measurements on twelve binary mixtures

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

Giles, N.F.; Wilson, H.L.; Wilding, W.V.

1996-11-01

Phase equilibrium measurements have been performed on twelve binary mixtures. The PTx method was used to obtain vapor-liquid equilibrium data for the following binary systems at two temperatures each: ethanethiol + propylene; nitrobenzene + methanol; pyridine + ethyl acetate; octane + tert-amyl methyl ether; diisopropyl ether + butane; 1,3-dichloro-2-propanol + epichlorohydrin; 2,3-dichloro-1-propanol + epichlorohydrin; 2,3-epoxy-1-propanol + epichlorohydrin; 3-chloro-1,2-propanediol + epichlorohydrin; methanol + hydrogen cyanide. For these systems, equilibrium vapor and liquid phase compositions were derived from the PTx data using the Soave equation of state to represent the vapor phase and the Wilson, NRTL, or Redlich-Kister activity coefficient model tomore » represent the liquid phase. The infinite dilution activity coefficient of methylamine in N-methyl-2-pyrrolidone was determined at three temperatures by performing PTx measurements on the N-methyl-2-pyrrolidone was determined at three temperatures by performing PTx measurements on the N-methyl-2-pyrrolidone-rich half of the binary. Liquid-liquid equilibrium studies were made on the triethylene glycol + 1-pentene system at two temperatures by directly analyzing samples taken from each liquid phase.« less

The effect of carrier gas flow rate and source cell temperature on low pressure organic vapor phase deposition simulation by direct simulation Monte Carlo method

PubMed Central

Wada, Takao; Ueda, Noriaki

2013-01-01

The process of low pressure organic vapor phase deposition (LP-OVPD) controls the growth of amorphous organic thin films, where the source gases (Alq3 molecule, etc.) are introduced into a hot wall reactor via an injection barrel using an inert carrier gas (N2 molecule). It is possible to control well the following substrate properties such as dopant concentration, deposition rate, and thickness uniformity of the thin film. In this paper, we present LP-OVPD simulation results using direct simulation Monte Carlo-Neutrals (Particle-PLUS neutral module) which is commercial software adopting direct simulation Monte Carlo method. By estimating properly the evaporation rate with experimental vaporization enthalpies, the calculated deposition rates on the substrate agree well with the experimental results that depend on carrier gas flow rate and source cell temperature. PMID:23674843

Modélisation et simulation numérique du changement de phase liquide vapeur en cavité

NASA Astrophysics Data System (ADS)

Daru, Virginie; Duluc, Marie-Christine; Le Maître, Olivier; Juric, Damir; Le Quéré, Patrick

2006-01-01

A model for the simulation of boiling flow with phase change in a closed cavity is presented. A front-tracking method is used to deal with the liquid-vapor interface. The liquid phase is incompressible while the vapor phase is weakly compressible and obeys to the perfect gas law. This model can deal with large density ratio ( ρ/ρ≃1000) flows while accounting for the saturation curve. Computations are performed on a 1D validation case, idealizing a pressure cooker. Results are compared with a low Mach number approximation. To cite this article: V. Daru et al., C. R. Mecanique 334 (2006).

Improved thermal lattice Boltzmann model for simulation of liquid-vapor phase change

NASA Astrophysics Data System (ADS)

Li, Qing; Zhou, P.; Yan, H. J.

2017-12-01

In this paper, an improved thermal lattice Boltzmann (LB) model is proposed for simulating liquid-vapor phase change, which is aimed at improving an existing thermal LB model for liquid-vapor phase change [S. Gong and P. Cheng, Int. J. Heat Mass Transfer 55, 4923 (2012), 10.1016/j.ijheatmasstransfer.2012.04.037]. First, we emphasize that the replacement of ∇ .(λ ∇ T ) /∇.(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) is an inappropriate treatment for diffuse interface modeling of liquid-vapor phase change. Furthermore, the error terms ∂t 0(T v ) +∇ .(T vv ) , which exist in the macroscopic temperature equation recovered from the previous model, are eliminated in the present model through a way that is consistent with the philosophy of the LB method. Moreover, the discrete effect of the source term is also eliminated in the present model. Numerical simulations are performed for droplet evaporation and bubble nucleation to validate the capability of the model for simulating liquid-vapor phase change. It is shown that the numerical results of the improved model agree well with those of a finite-difference scheme. Meanwhile, it is found that the replacement of ∇ .(λ ∇ T ) /∇ .(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) leads to significant numerical errors and the error terms in the recovered macroscopic temperature equation also result in considerable errors.

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds and Ionic Liquids. Sublimation, Vaporization, and Fusion Enthalpies from 1880 to 2015. Part 2. C11-C192

NASA Astrophysics Data System (ADS)

Acree, William; Chickos, James S.

2017-03-01

The second part of this compendium concludes with a collection of phase change enthalpies of organic molecules inclusive of C11-C192 reported over the period 1880-2015. Also included are phase change enthalpies including fusion, vaporization, and sublimation enthalpies for organometallic, ionic liquids, and a few inorganic compounds. Paper I of this compendium, published separately, includes organic compounds from C1 to C10 and describes a group additivity method for evaluating solid, liquid, and gas phase heat capacities as well as temperature adjustments of phase changes. Paper II of this compendium also includes an updated version of a group additivity method for evaluating total phase change entropies which together with the fusion temperature can be useful in estimating total phase change enthalpies. Other uses include application in identifying potential substances that either form liquid or plastic crystals or exhibit additional phase changes such as undetected solid-solid transitions or behave anisotropically in the liquid state.

Phase relations and adiabats in boiling seafloor geothermal systems

USGS Publications Warehouse

Bischoff, J.L.; Pitzer, Kenneth S.

1985-01-01

Observations of large salinity variations and vent temperatures in the range of 380-400??C suggest that boiling or two-phase separation may be occurring in some seafloor geothermal systems. Consideration of flow rates and the relatively small differences in density between vapors and liquids at the supercritical pressures at depth in these systems suggests that boiling is occurring under closed-system conditions. Salinity and temperature of boiling vents can be used to estimate the pressure-temperature point in the subsurface at which liquid seawater first reached the two-phase boundary. Data are reviewed to construct phase diagrams of coexisting brines and vapors in the two-phase region at pressures corresponding to those of the seafloor geothermal systems. A method is developed for calculating the enthalpy and entropy of the coexisting mixtures, and results are used to construct adiabats from the seafloor to the P-T two-phase boundary. Results for seafloor vents discharging at 2300 m below sea level indicate that a 385??C vent is composed of a brine (7% NaCl equivalent) in equilibrium with a vapor (0.1% NaCl). Brine constitutes 45% by weight of the mixture, and the fluid first boiled at approximately 1 km below the seafloor at 415??C, 330 bar. A 400??C vent is primarily vapor (88 wt.%, 0.044% NaCl) with a small amount of brine (26% NaCl) and first boiled at 2.9 km below the seafloor at 500??C, 520 bar. These results show that adiabatic decompression in the two-phase region results in dramatic cooling of the fluid mixture when there is a large fraction of vapor. ?? 1985.

Condensed phase conversion and growth of nanorods instead of from vapor

DOEpatents

Geohegan, David B.; Seals, Roland D.; Puretzky, Alex A.; Fan, Xudong

2005-08-02

Compositions, systems and methods are described for condensed phase conversion and growth of nanorods and other materials. A method includes providing a condensed phase matrix material; and activating the condensed phase matrix material to produce a plurality of nanorods by condensed phase conversion and growth from the condensed chase matrix material instead of from vacor. The compositions are very strong. The compositions and methods provide advantages because they allow (1) formation rates of nanostructures necessary for reasonable production rates, and (2) the near net shaped production of component structures.

Analysis of nanoscale two-phase flow of argon using molecular dynamics

NASA Astrophysics Data System (ADS)

Verma, Abhishek Kumar; Kumar, Rakesh

2014-12-01

Two phase flows through micro and nanochannels have attracted a lot of attention because of their immense applicability to many advanced fields such as MEMS/NEMS, electronic cooling, bioengineering etc. In this work, a molecular dynamics simulation method is employed to study the condensation process of superheated argon vapor force driven flow through a nanochannel combining fluid flow and heat transfer. A simple and effective particle insertion method is proposed to model phase change of argon based on non-periodic boundary conditions in the simulation domain. Starting from a crystalline solid wall of channel, the condensation process evolves from a transient unsteady state where we study the influence of different wall temperatures and fluid wall interactions on interfacial and heat transport properties of two phase flows. Subsequently, we analyzed transient temperature, density and velocity fields across the channel and their dependency on varying wall temperature and fluid wall interaction, after a dynamic equilibrium is achieved in phase transition. Quasi-steady nonequilibrium temperature profile, heat flux and interfacial thermal resistance were analyzed. The results demonstrate that the molecular dynamics method, with the proposed particle insertion method, effectively solves unsteady nonequilibrium two phase flows at nanoscale resolutions whose interphase between liquid and vapor phase is typically of the order of a few molecular diameters.

Subatmospheric vapor pressures evaluated from internal-energy measurements

NASA Astrophysics Data System (ADS)

Duarte-Garza, H. A.; Magee, J. W.

1997-01-01

Vapor pressures were evaluated from measured internal-energy changes in the vapor+liquid two-phase region, Δ U (2). The method employed a thermodynamic relationship between the derivative quantity (ϖ U (2)/ϖ V) T and the vapor pressure ( p σ) and its temperature derivative (ϖ p/ϖ T)σ. This method was applied at temperatures between the triple point and the normal boiling point of three substances: 1,1,1,2-tetrafluoroethane (R134a), pentafluoroethane (R125), and difluoromethane (R32). Agreement with experimentally measured vapor pressures near the normal boiling point (101.325 kPa) was within the experimental uncertainty of approximately ±0.04 kPa (±0.04%). The method was applied to R134a to test the thermodynamic consistency of a published p-p-T equation of state with an equation for p σ for this substance. It was also applied to evaluate published p σ data which are in disagreement by more than their claimed uncertainty.

An Electrochemical Gas Biosensor Based on Enzymes Immobilized on Chromatography Paper for Ethanol Vapor Detection.

PubMed

Kuretake, Tatsumi; Kawahara, Shogo; Motooka, Masanobu; Uno, Shigeyasu

2017-02-01

This paper presents a novel method of fabricating an enzymatic biosensor for breath analysis using chromatography paper as enzyme supporting layer and a liquid phase layer on top of screen printed carbon electrodes. We evaluated the performance with ethanol vapor being one of the breathing ingredients. The experimental results show that our sensor is able to measure the concentration of ethanol vapor within the range of 50 to 500 ppm. These results suggest the ability of detecting breath ethanol, and it can possibly be applied as a generic vapor biosensor to a wide range of diseases.

Prediction of Sublimation Pressures of Low Volatility Solids

NASA Astrophysics Data System (ADS)

Drake, Bruce Douglas

Sublimation pressures are required for solid-vapor phase equilibrium models in design of processes such as supercritical fluid extraction, sublimation purification and vapor epitaxy. The objective of this work is to identify and compare alternative methods for predicting sublimation pressures. A bibliography of recent sublimation data is included. Corresponding states methods based on the triple point (rather than critical point) are examined. A modified Trouton's rule is the preferred method for estimating triple point pressure in the absence of any sublimation data. Only boiling and melting temperatures are required. Typical error in log_{10} P _{rm triple} is 0.3. For lower temperature estimates, the slope of the sublimation curve is predicted by a correlation based on molar volume. Typical error is 10% of slope. Molecular dynamics methods for surface modeling are tested as estimators of vapor pressure. The time constants of the vapor and solid phases are too different to allow the vapor to come to thermal equilibrium with the solid. The method shows no advantages in prediction of sublimation pressure but provides insight into appropriate models and experimental methods for sublimation. Density-dependent augmented van der Waals equations of state based on hard-sphere distribution functions are examined. The perturbation term is almost linear and is well fit by a simple quadratic. Use of the equation provides reasonable fitting of sublimation pressures from one data point. Order-of-magnitude estimation is possible from melting temperature and solid molar volume. The inverse -12 fluid is used to develop an additional equation of state. Sublimation pressure results, including quality of pressure predictions, are similar to the hard-sphere results. Three-body (Axilrod -Teller) interactions are used to improve results.

Graft polymerization of wood sawdust and peat with ethylene carbonate. A novel method for the preparation of supports with enhanced mechanical properties to be used in biofiltration of organic vapors.

PubMed

Hernández-Meléndez, O; Peydecastaing, J; Bárzana, E; Vaca-Garcia, C; Hernández-Luna, M; Borredon, M E

2009-01-01

The graft polymerization reaction between ethylene carbonate (EC) and scots pine sawdust (SPS) or peat moss (PM) offers a solvent-free approach to the simple and inexpensive aliphatic derivatization of these lignocellulosic fibers. This reaction was studied with liquid or vapor EC phases in three different reactor configurations: batch stirred (BSR), semi-continuous stirred (SSR) and continuous tubular in the gas phase (CVTR). The use of a vapor phase allowed a satisfactory grafting yield and minimal production of non-grafted polyol by-products. The crosslinking agent 4,4'-methylenebis(phenylisocyanate) (MDI) achieved superior characteristics to form shaped tablets resistant to water disaggregation, a high water retention capacity and high compression strength, characteristics that conventional organic supports like PM or PM-polyurethane foam mixtures used in biofiltration of waste gases do not completely possess.

Reflux condensation of pure vapors with and without a noncondensable gas inside plain and enhanced tubes

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

Abdelmessih, A.N.; Rabas, T.J.; Panchal, C.B.

1997-06-01

Estimates of the surface-area and vapor-release reductions are obtained when commercially available enhanced tubes (spirally ribbed) replace plain tubes in a reflux unit condensing pure organic vapors with different concentrations of a noncondensable gas. This investigation was undertaken because there are no existing data and/or prediction methods that are applicable for these shell-and-tube condensers commonly used in the process industries. To obtain these estimates, existing design methods published in the open literature were used. The major findings are that (1) surface-area reductions can almost approach the single-phase heat transfer enhancement level, and (2) vapor-release reductions can approach a factor ofmore » four. The important implication is that enhanced tubes appear to be very cost effective for addressing the recovery of volatile organic vapors (VOCs), and for a vast number of different reflux-condenser applications.« less

Preparation of pigments for space-stable thermal control coatings

NASA Technical Reports Server (NTRS)

Campbell, W. B.; Smith, R. G.

1972-01-01

The identification and control of vapor phase reaction kinetics to produce pigments by homogeneous nucleation were achieved. A vapor phase apparatus was designed, fabricated, and calibrated through 1800 C. Vapor phase reactions were analyzed, calculations made, and powders of alumina, rutile, zinc orthotitanate (in a mixed phase), calcium tungstate, and lanthana were produced by homogeneous nucleation. Electron microscopy shows uniform particle morphology and size, and supports anticipated advantages of vapor-phase homogeneous nucleation; namely, purity, freedom from defects, and uniform particle sizing without grinding.

Vapor-liquid equilibria for hydrogen fluoride + 1,1-difluoroethane at 288.23 and 298.35 K

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

Lee, J.; Kim, H.; Lim, J.S.

1997-07-01

Isothermal vapor-liquid equilibria for hydrogen fluoride + 1,1-difluoroethane at 288.23 and 298.35 K were measured using a circulation type apparatus equipped with an equilibrium view cell. The compositions of both vapor and liquid phases were analyzed by an on-line gas chromatographic method. They were compared with PTx equilibrium data measured by the total pressure method. The experimental data were correlated with Anderko`s equation of state using the Wong-Sandler mixing rule as well as the van der Waals one-fluid mixing rule. The Wong-Sandler mixing rule gives better results, and the relevant parameters are presented.

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.

Arsine flow requirement for the flow modulation growth of high purity GaAs using adduct-grade triethylgallium

NASA Astrophysics Data System (ADS)

Pitts, B. L.; Emerson, D. T.; Shealy, J. R.

1992-10-01

Using arsine and triethylgallium with flow modulation, organometallic vapor phase epitaxy can produce high purity GaAs layers with V/III molar ratios near unity. We have estimated that under appropriate growth conditions the arsine incorporation efficiency into epitaxial GaAs can exceed 30%. The arsine flow requirement for obtaining good morphology has been identified over a range of substrate temperatures using adduct-grade triethylgallium. The process described reduces the environmental impact and life safety risk of the hydride based organometallic vapor phase epitaxial method.

Noninvasive method for determining the liquid level and density inside of a container

DOEpatents

Sinha, Dipen N.

2000-01-01

Noninvasive method for determining the liquid level and density inside of a container having arbitrary dimension and shape. By generating a flexural acoustic wave in the container shell and measuring the phase difference of the detected flexural wave from that of the originally generated wave a small distance from the generated wave, while moving the generation and detection means through the liquid/vapor interface, this interface can be detected. Both the wave generation and wave detection may be achieved by transducers on the surface of the container. A change in the phase difference over the outer surface of the vessel signifies that a liquid/vapor interface has been crossed, while the magnitude of the phase difference can be related to fluid density immediately opposite the measurement position on the surface of the vessel.

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.

Real-Time Optical Monitoring of Flow Kinetics and Gas Phase Reactions Under High-Pressure OMCVD Conditions

NASA Technical Reports Server (NTRS)

Dietz, N.; McCall, S.; Bachmann, K. J.

2001-01-01

This contribution addresses the real-time optical characterization of gas flow and gas phase reactions as they play a crucial role for chemical vapor phase depositions utilizing elevated and high pressure chemical vapor deposition (HPCVD) conditions. The objectives of these experiments are to validate on the basis of results on real-time optical diagnostics process models simulation codes, and provide input parameter sets needed for analysis and control of chemical vapor deposition at elevated pressures. Access to microgravity is required to retain high pressure conditions of laminar flow, which is essential for successful acquisition and interpretation of the optical data. In this contribution, we describe the design and construction of the HPCVD system, which include access ports for various optical methods of real-time process monitoring and to analyze the initial stages of heteroepitaxy and steady-state growth in the different pressure ranges. To analyze the onset of turbulence, provisions are made for implementation of experimental methods for in-situ characterization of the nature of flow. This knowledge will be the basis for the design definition of experiments under microgravity, where gas flow conditions, gas phase and surface chemistry, might be analyzed by remote controlled real-time diagnostics tools, developed in this research project.

Vapor pressures, thermodynamic stability, and fluorescence properties of three 2,6-alkyl naphthalenes.

PubMed

Santos, Ana Filipa L O M; Oliveira, Juliana A S A; Ribeiro da Silva, Maria D M C; Monte, Manuel J S

2016-03-01

This work reports the experimental determination of relevant thermodynamic properties and the characterization of luminescence properties of the following polycyclic aromatic hydrocarbons (PAHs): 2,6-diethylnaphthalene, 2,6-diisopropylnaphthalene and 2,6-di-tert-butylnaphthalene. The standard (p(o) = 0.1 MPa) molar enthalpies of combustion, ΔcHm(o), of the three compounds were determined using static bomb combustion calorimetry. The vapor pressures of the crystalline phase of 2,6-diisopropylnaphthalene and 2,6-di-tert-butylnaphthalene were measured at different temperatures using the Knudsen effusion method and the vapor pressures of both liquid and crystalline phases of 2,6-diethylnaphthalene were measured by means of a static method. The temperatures and the molar enthalpies of fusion of the three compounds were determined using differential scanning calorimetry. The gas-phase molar heat capacities and absolute entropies of the three 2,6-dialkylnaphthalenes studied were determined computationally. The thermodynamic stability of the compounds in both the crystalline and gaseous phases was evaluated by the determination of the Gibbs energies of formation and compared with the ones reported in the literature for 2,6-dimethylnaphthalene. From fluorescence spectroscopy measurements, the optical properties of the compounds studied and of naphthalene were evaluated in solution and in the solid state. Copyright © 2015 Elsevier Ltd. All rights reserved.

Modeling of Bulk Evaporation and Condensation

NASA Technical Reports Server (NTRS)

Anghaie, S.; Ding, Z.

1996-01-01

This report describes the modeling and mathematical formulation of the bulk evaporation and condensation involved in liquid-vapor phase change processes. An internal energy formulation, for these phase change processes that occur under the constraint of constant volume, was studied. Compared to the enthalpy formulation, the internal energy formulation has a more concise and compact form. The velocity and time scales of the interface movement were obtained through scaling analysis and verified by performing detailed numerical experiments. The convection effect induced by the density change was analyzed and found to be negligible compared to the conduction effect. Two iterative methods for updating the value of the vapor phase fraction, the energy based (E-based) and temperature based (T-based) methods, were investigated. Numerical experiments revealed that for the evaporation and condensation problems the E-based method is superior to the T-based method in terms of computational efficiency. The internal energy formulation and the E-based method were used to compute the bulk evaporation and condensation processes under different conditions. The evolution of the phase change processes was investigated. This work provided a basis for the modeling of thermal performance of multi-phase nuclear fuel elements under variable gravity conditions, in which the buoyancy convection due to gravity effects and internal heating are involved.

Gradient augmented level set method for phase change simulations

NASA Astrophysics Data System (ADS)

Anumolu, Lakshman; Trujillo, Mario F.

2018-01-01

A numerical method for the simulation of two-phase flow with phase change based on the Gradient-Augmented-Level-set (GALS) strategy is presented. Sharp capturing of the vaporization process is enabled by: i) identification of the vapor-liquid interface, Γ (t), at the subgrid level, ii) discontinuous treatment of thermal physical properties (except for μ), and iii) enforcement of mass, momentum, and energy jump conditions, where the gradients of the dependent variables are obtained at Γ (t) and are consistent with their analytical expression, i.e. no local averaging is applied. Treatment of the jump in velocity and pressure at Γ (t) is achieved using the Ghost Fluid Method. The solution of the energy equation employs the sub-grid knowledge of Γ (t) to discretize the temperature Laplacian using second-order one-sided differences, i.e. the numerical stencil completely resides within each respective phase. To carefully evaluate the benefits or disadvantages of the GALS approach, the standard level set method is implemented and compared against the GALS predictions. The results show the expected trend that interface identification and transport are predicted noticeably better with GALS over the standard level set. This benefit carries over to the prediction of the Laplacian and temperature gradients in the neighborhood of the interface, which are directly linked to the calculation of the vaporization rate. However, when combining the calculation of interface transport and reinitialization with two-phase momentum and energy, the benefits of GALS are to some extent neutralized, and the causes for this behavior are identified and analyzed. Overall the additional computational costs associated with GALS are almost the same as those using the standard level set technique.

Substrate-induced phase of a [1]benzothieno[3,2-b]benzothiophene derivative and phase evolution by aging and solvent vapor annealing.

PubMed

Jones, Andrew O F; Geerts, Yves H; Karpinska, Jolanta; Kennedy, Alan R; Resel, Roland; Röthel, Christian; Ruzié, Christian; Werzer, Oliver; Sferrazza, Michele

2015-01-28

Substrate-induced phases (SIPs) are polymorphic phases that are found in thin films of a material and are different from the single crystal or "bulk" structure of a material. In this work, we investigate the presence of a SIP in the family of [1]benzothieno[3,2-b]benzothiophene (BTBT) organic semiconductors and the effect of aging and solvent vapor annealing on the film structure. Through extensive X-ray structural investigations of spin coated films, we find a SIP with a significantly different structure to that found in single crystals of the same material forms; the SIP has a herringbone motif while single crystals display layered π-π stacking. Over time, the structure of the film is found to slowly convert to the single crystal structure. Solvent vapor annealing initiates the same structural evolution process but at a greatly increased rate, and near complete conversion can be achieved in a short period of time. As properties such as charge transport capability are determined by the molecular structure, this work highlights the importance of understanding and controlling the structure of organic semiconductor films and presents a simple method to control the film structure by solvent vapor annealing.

Clay enhancement of methane, low molecular weight hydrocarbon and halocarbon conversion by methanotrophic bacteria

DOEpatents

Apel, William A.; Dugan, Patrick R.

1995-01-01

An apparatus and method for increasing the rate of oxidation of toxic vapors by methanotrophic bacteria. The toxic vapors of interest are methane and trichloroethylene. The apparatus includes a gas phase bioreactor within a closed loop pumping system or a single pass system. The methanotrophic bacteria include Methylomonas methanica, Methylosinus trichosporium, and uncharacterized environmental enrichments.

Clay enhancement of methane, low molecular weight hydrocarbon and halocarbon conversion by methanotrophic bacteria

DOEpatents

Apel, William A.; Dugan, Patrick R.

1995-04-04

An apparatus and method for increasing the rate of oxidation of toxic vapors by methanotrophic bacteria. The toxic vapors of interest are methane and trichloroethylene. The apparatus includes a gas phase bioreactor within a closed loop pumping system or a single pass system. The methanotrophic bacteria include Methylomonas methanica, Methylosinus trichosporium, and uncharacterized environmental enrichments.

Critical points of metal vapors

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

Khomkin, A. L., E-mail: alhomkin@mail.ru; Shumikhin, A. S.

2015-09-15

A new method is proposed for calculating the parameters of critical points and binodals for the vapor–liquid (insulator–metal) phase transition in vapors of metals with multielectron valence shells. The method is based on a model developed earlier for the vapors of alkali metals, atomic hydrogen, and exciton gas, proceeding from the assumption that the cohesion determining the basic characteristics of metals under normal conditions is also responsible for their properties in the vicinity of the critical point. It is proposed to calculate the cohesion of multielectron atoms using well-known scaling relations for the binding energy, which are constructed for mostmore » metals in the periodic table by processing the results of many numerical calculations. The adopted model allows the parameters of critical points and binodals for the vapor–liquid phase transition in metal vapors to be calculated using published data on the properties of metals under normal conditions. The parameters of critical points have been calculated for a large number of metals and show satisfactory agreement with experimental data for alkali metals and with available estimates for all other metals. Binodals of metals have been calculated for the first time.« less

An electron diffraction study of alkali chloride vapors

NASA Technical Reports Server (NTRS)

Mawhorter, R. J.; Fink, M.; Hartley, J. G.

1985-01-01

A study of monomers and dimers of the four alkali chlorides NaCl, KCl, RbCl, and CsCl in the vapor phase using the counting method of high energy electron diffraction is reported. Nozzle temperatures from 850-960 K were required to achieve the necessary vapor pressures of approximately 0.01 torr. Using harmonic calculations for the monomer and dimer 1 values, a consistent set of structures for all four molecules was obained. The corrected monomer distances reproduce the microwave values very well. The experiment yields information on the amount of dimer present in the vapor, and these results are compared with thermodynamic values.

Adjusted active carbon fibers for solid phase microextraction.

PubMed

Jia, Jinping; Feng, Xue; Fang, Nenghu; Wang, Yalin; Chen, Hongjin; Dan, Wu

2002-01-01

Adjusted active carbon fiber (AACF) was evaluated for Solid Phase Microextraction (SPME), which showed higher sensitivity and stability than traditional coating fibers. The characteristics of AACF result from two different activation methods (chemical and water vapor) and from variable activation conditions (temperature and time). The fiber treated by water vapor appears to have stronger affinity to polar compounds, while that treated by chemical activation appears to have stronger affinity to non-polar compounds. For different target compounds ranged from non-polar to polar, AACF design could be effective with specific selections and sensitivities. As applications in this paper, benzoic acid in soy sauce was extracted onto water-vapor-activated-fiber, then analyzed using gas chromatograph-mass spectrometer (GC-MS). The chemical-activated-fiber SPME was applied in the analysis of benzene series compounds (BTEX) in water matrix. Compared with standard carbon disulfide extraction method, chemical-activated-fiber SPME is more convenient due to its simple process and turns to be of relative low detection limits.

High Temperature Multilayer Environmental Barrier Coatings Deposited Via Plasma Spray-Physical Vapor Deposition

NASA Technical Reports Server (NTRS)

Harder, Bryan James; Zhu, Dongming; Schmitt, Michael P.; Wolfe, Douglas E.

2014-01-01

Si-based ceramic matrix composites (CMCs) require environmental barrier coatings (EBCs) in combustion environments to avoid rapid material loss. Candidate EBC materials have use temperatures only marginally above current technology, but the addition of a columnar oxide topcoat can substantially increase the durability. Plasma Spray-Physical Vapor Deposition (PS-PVD) allows application of these multilayer EBCs in a single process. The PS-PVD technique is a unique method that combines conventional thermal spray and vapor phase methods, allowing for tailoring of thin, dense layers or columnar microstructures by varying deposition conditions. Multilayer coatings were deposited on CMC specimens and assessed for durability under high heat flux and load. Coated samples with surface temperatures ranging from 2400-2700F and 10 ksi loads using the high heat flux laser rigs at NASA Glenn. Coating morphology was characterized in the as-sprayed condition and after thermomechanical loading using electron microscopy and the phase structure was tracked using X-ray diffraction.

Melting and Vaporization of the 1223 Phase in the System (Tl-Pb-Ba-Sr-Ca-Cu-O)

PubMed Central

Cook, L. P.; Wong-Ng, W.; Paranthaman, P.

1996-01-01

The melting and vaporization of the 1223 [(Tl,Pb):(Ba,Sr):Ca:Cu] oxide phase in the system (Tl-Pb-Ba-Sr-Ca-Cu-O) have been investigated using a combination of dynamic methods (differential thermal analysis, thermogravimetry, effusion) and post-quenching characterization techniques (powder x-ray diffraction, scanning electron microscopy, energy dispersive x-ray spectrometry). Vaporization rates, thermal events, and melt compositions were followed as a function of thallia loss from a 1223 stoichiometry. Melting and vaporization equilibria of the 1223 phase are complex, with as many as seven phases participating simultaneously. At a total pressure of 0.1 MPa the 1223 phase was found to melt completely at (980 ± 5) °C in oxygen, at a thallia partial pressure (pTl2O) of (4.6 ± 0.5) kPa, where the quoted uncertainties are standard uncertainties, i.e., 1 estimated standard deviation. The melting reaction involves five other solids and a liquid, nominally as follows: 1223→1212+(Ca,Sr)2CuO3+(Sr,Ca)CuO2+BaPbO3+(Ca,Sr)O+Liquid Stoichiometries of the participating phases have been determined from microchemical analysis, and substantial elemental substitution on the 1212 and 1223 crystallographic sites is indicated. The 1223 phase occurs in equilibrium with liquids from its melting point down to at least 935 °C. The composition of the lowest melting liquid detected for the bulk compositions of this study has been measured using microchemical analysis. Applications to the processing of superconducting wires and tapes are discussed. PMID:27805086

Investigation of local evaporation flux and vapor-phase pressure at an evaporative droplet interface.

PubMed

Duan, Fei; Ward, C A

2009-07-07

In the steady-state experiments of water droplet evaporation, when the throat was heating at a stainless steel conical funnel, the interfacial liquid temperature was found to increase parabolically from the center line to the rim of the funnel with the global vapor-phase pressure at around 600 Pa. The energy conservation analysis at the interface indicates that the energy required for evaporation is maintained by thermal conduction to the interface from the liquid and vapor phases, thermocapillary convection at interface, and the viscous dissipation globally and locally. The local evaporation flux increases from the center line to the periphery as a result of multiple effects of energy transport at the interface. The local vapor-phase pressure predicted from statistical rate theory (SRT) is also found to increase monotonically toward the interface edge from the center line. However, the average value of the local vapor-phase pressures is in agreement with the measured global vapor-phase pressure within the measured error bar.

Investigating Vaporization of Silica through Laser Driven Shock Wave Experiments

NASA Astrophysics Data System (ADS)

Kraus, R. G.; Swift, D. C.; Stewart, S. T.; Smith, R.; Bolme, C. A.; Spaulding, D. K.; Hicks, D.; Eggert, J.; Collins, G.

2010-12-01

Giant impacts melt and vaporize a significant amount of the bolide and target body. However, our ability to determine how much melt or vapor a given impact creates depends strongly on our understanding of the liquid-vapor phase boundary of geologic materials. Our current knowledge of the liquid-vapor equilibrium for one of the most important minerals, SiO2, is rather limited due to the difficulty of performing experiments in this area of phase space. In this study, we investigate the liquid-vapor coexistence region by shocking quartz into a supercritical fluid state and allowing it to adiabatically expand to a state on the liquid-vapor phase boundary. Although shock compression and release has been used to study the liquid-vapor equilibrium of metals [1], few attempts have been made at studying geologic materials by this method [2]. Shock waves were produced by direct ablation of the quartz sample using the Jupiter Laser Facility of Lawrence Livermore National Laboratory. Steady shock pressures of 120-360 GPa were produced in the quartz samples: high enough to force the quartz into a supercritical fluid state. As the shock wave propagates through the sample, we measure the shock velocity using a line imaging velocity interferometer system for any reflector (VISAR) and shock temperature using a streaked optical pyrometer (SOP). When the shock wave reaches the free surface of the sample, the material adiabatically expands. Upon breakout of the shock at the free surface, the SOP records a distinct drop in radiance due to the lower temperature of the expanded material. For a subset of experiments, a LiF window is positioned downrange of the expanding silica. When the expanding silica impacts the LiF window, the velocity at the interface between the expanding silica and LiF window is measured using the VISAR. From the shock velocity measurements, we accurately determine the shocked state in the quartz. The post-shock radiance measurements are used to constrain the temperature on the liquid-vapor phase boundary (e.g., [3]) at much higher pressures than previously possible using a 2 stage gas gun [4, 5]. The density on the liquid-vapor phase boundary is constrained by comparing the velocity at the silica-LiF interface to numerical simulations that use equations of state with systematically varied liquid-vapor phase boundaries. We present the results within the context of understanding vaporization during giant impact events. [1] Brannon, R.M. and L.C. Chhabildas (1995) Int. J. Impact Engng. 17, 109-120. [2] Kurosawa, K. and S. Sugita (2010) J. Geophys. Res. in press. [3] Stewart, S.T., A. Seifter, and A.W. Obst (2008) Geophys. Res. Lett., 35, (23). [4] Lyzenga, G.A., T.J. Ahrens, and A.C. Mitchell (1983) J. Geophys. Res. , 88, (NB3), 2431-2444. [5] Boslough, M.B. (1988) J. Geophys. Res., 93, (B6), 6477-6484.

Controlled In Meso Phase Crystallization – A Method for the Structural Investigation of Membrane Proteins

PubMed Central

Kubicek, Jan; Schlesinger, Ramona; Baeken, Christian; Büldt, Georg; Schäfer, Frank; Labahn, Jörg

2012-01-01

We investigated in meso crystallization of membrane proteins to develop a fast screening technology which combines features of the well established classical vapor diffusion experiment with the batch meso phase crystallization, but without premixing of protein and monoolein. It inherits the advantages of both methods, namely (i) the stabilization of membrane proteins in the meso phase, (ii) the control of hydration level and additive concentration by vapor diffusion. The new technology (iii) significantly simplifies in meso crystallization experiments and allows the use of standard liquid handling robots suitable for 96 well formats. CIMP crystallization furthermore allows (iv) direct monitoring of phase transformation and crystallization events. Bacteriorhodopsin (BR) crystals of high quality and diffraction up to 1.3 Å resolution have been obtained in this approach. CIMP and the developed consumables and protocols have been successfully applied to obtain crystals of sensory rhodopsin II (SRII) from Halobacterium salinarum for the first time. PMID:22536388

Synthesis of an un-supported, high-flow ZSM-22 zeolite membrane

DOEpatents

Thoma, Steven G [Albuquerque, NM; Nenoff, Tina M [Albuquerque, NM

2006-10-10

Novel methods for synthesizing wholly un-supported, high-flow catalytic membranes consisting of 100% crystalline ZSM-22 crystals with no binder phase, having sufficient porosity to allow high Weight Hourly Space Velocities of feedstock to pass through without generating back pressure. The ZSM-22 membranes perform favorably to existing bulk ZSM-22 catalysts (e.g., via 1-butene conversion and selectivity). The method of membrane synthesis, based on Vapor Phase Transport, allows free-standing, binder-less membranes to be fabricated in varied geometries and sizes so that membranes can be tailor-made for particular geometries applications. The ZSM-22 precursor gel may be consolidated into a semi-cohesive body prior to vapor phase crystallization, for example, by uniaxial pressing. These crystalline membranes may be modified by ion exchange, pore ion exchange, framework exchange, synthesis modification techniques to incorporate other elements into the framework, such as K, H, Mg, Zn, V, Ga, and Pt.

Electron microscopy investigation of gallium oxide micro/nanowire structures synthesized via vapor phase growth.

PubMed

Wang, Y; Xu, J; Wang, R M; Yu, D P

2004-01-01

Large-scale micro/nanosized Ga(2)O(3) structures were synthesized via a simple vapor p9hase growth method. The morphology of the as-grown structures varied from aligned arrays of smooth nano/microscale wires to composite and complex microdendrites. We present evidence that the formation of the observed structure depends strongly on its position relative to the source materials (the concentration distribution) and on the growth temperature. A growth model is proposed, based on the vapor-solid (VS) mechanism, which can explain the observed morphologies.

An assessment of the liquid-gas partitioning behavior of major wastewater odorants using two comparative experimental approaches: liquid sample-based vaporization vs. impinger-based dynamic headspace extraction into sorbent tubes.

PubMed

Iqbal, Mohammad Asif; Kim, Ki-Hyun; Szulejko, Jan E; Cho, Jinwoo

2014-01-01

The gas-liquid partitioning behavior of major odorants (acetic acid, propionic acid, isobutyric acid, n-butyric acid, i-valeric acid, n-valeric acid, hexanoic acid, phenol, p-cresol, indole, skatole, and toluene (as a reference)) commonly found in microbially digested wastewaters was investigated by two experimental approaches. Firstly, a simple vaporization method was applied to measure the target odorants dissolved in liquid samples with the aid of sorbent tube/thermal desorption/gas chromatography/mass spectrometry. As an alternative method, an impinger-based dynamic headspace sampling method was also explored to measure the partitioning of target odorants between the gas and liquid phases with the same detection system. The relative extraction efficiency (in percent) of the odorants by dynamic headspace sampling was estimated against the calibration results derived by the vaporization method. Finally, the concentrations of the major odorants in real digested wastewater samples were also analyzed using both analytical approaches. Through a parallel application of the two experimental methods, we intended to develop an experimental approach to be able to assess the liquid-to-gas phase partitioning behavior of major odorants in a complex wastewater system. The relative sensitivity of the two methods expressed in terms of response factor ratios (RFvap/RFimp) of liquid standard calibration between vaporization and impinger-based calibrations varied widely from 981 (skatole) to 6,022 (acetic acid). Comparison of this relative sensitivity thus highlights the rather low extraction efficiency of the highly soluble and more acidic odorants from wastewater samples in dynamic headspace sampling.

ALMA long baseline phase calibration using phase referencing

NASA Astrophysics Data System (ADS)

Asaki, Yoshiharu; Matsushita, Satoki; Fomalont, Edward B.; Corder, Stuartt A.; Nyman, Lars-Åke; Dent, William R. F.; Philips, Neil M.; Hirota, Akihiko; Takahashi, Satoko; Vila-Vilaro, Baltasar; Nikolic, Bojan; Hunter, Todd R.; Remijan, Anthony; Vlahakis, Catherine

2016-08-01

The Atacama Large Millimeter/submillimeter Array (ALMA) is the world's largest millimeter/submillimeter telescope and provides unprecedented sensitivities and spatial resolutions. To achieve the highest imaging capabilities, interferometric phase calibration for the long baselines is one of the most important subjects: The longer the baselines, the worse the phase stability becomes because of turbulent motions of the Earth's atmosphere, especially, the water vapor in the troposphere. To overcome this subject, ALMA adopts a phase correction scheme using a Water Vapor Radiometer (WVR) to estimate the amount of water vapor content along the antenna line of sight. An additional technique is phase referencing, in which a science target and a nearby calibrator are observed by turn by quickly changing the antenna pointing. We conducted feasibility studies of the hybrid technique with the WVR phase correction and the antenna Fast Switching (FS) phase referencing (WVR+FS phase correction) for the ALMA 16 km longest baselines in cases that (1) the same observing frequency both for a target and calibrator is used, and (2) higher and lower frequencies for a target and calibrator, respectively, with a typical switching cycle time of 20 s. It was found that the phase correction performance of the hybrid technique is promising where a nearby calibrator is located within roughly 3◦ from a science target, and that the phase correction with 20 s switching cycle time significantly improves the performance with the above separation angle criterion comparing to the 120 s switching cycle time. The currently trial phase calibration method shows the same performance independent of the observing frequencies. This result is especially important for the higher frequency observations because it becomes difficult to find a bright calibrator close to an arbitrary sky position. In the series of our experiments, it is also found that phase errors affecting the image quality come from not only the water vapor content in the lower troposphere but also a large structure of the atmosphere with a typical cell scale of a few tens of kilometers.

Approach to high quality GaN lateral nanowires and planar cavities fabricated by focused ion beam and metal-organic vapor phase epitaxy.

PubMed

Pozina, Galia; Gubaydullin, Azat R; Mitrofanov, Maxim I; Kaliteevski, Mikhail A; Levitskii, Iaroslav V; Voznyuk, Gleb V; Tatarinov, Evgeniy E; Evtikhiev, Vadim P; Rodin, Sergey N; Kaliteevskiy, Vasily N; Chechurin, Leonid S

2018-05-08

We have developed a method to fabricate GaN planar nanowires and cavities by combination of Focused Ion Beam (FIB) patterning of the substrate followed by Metal Organic Vapor Phase Epitaxy (MOVPE). The method includes depositing a silicon nitride mask on a sapphire substrate, etching of the trenches in the mask by FIB with a diameter of 40 nm with subsequent MOVPE growth of GaN within trenches. It was observed that the growth rate of GaN is substantially increased due to enhanced bulk diffusion of the growth precursor therefore the model for analysis of the growth rate was developed. The GaN strips fabricated by this method demonstrate effective luminescence properties. The structures demonstrate enhancement of spontaneous emission via formation of Fabry-Perot modes.

The influence of point defects on the thermal conductivity of AlN crystals

NASA Astrophysics Data System (ADS)

Rounds, Robert; Sarkar, Biplab; Alden, Dorian; Guo, Qiang; Klump, Andrew; Hartmann, Carsten; Nagashima, Toru; Kirste, Ronny; Franke, Alexander; Bickermann, Matthias; Kumagai, Yoshinao; Sitar, Zlatko; Collazo, Ramón

2018-05-01

The average bulk thermal conductivity of free-standing physical vapor transport and hydride vapor phase epitaxy single crystal AlN samples with different impurity concentrations is analyzed using the 3ω method in the temperature range of 30-325 K. AlN wafers grown by physical vapor transport show significant variation in thermal conductivity at room temperature with values ranging between 268 W/m K and 339 W/m K. AlN crystals grown by hydride vapor phase epitaxy yield values between 298 W/m K and 341 W/m K at room temperature, suggesting that the same fundamental mechanisms limit the thermal conductivity of AlN grown by both techniques. All samples in this work show phonon resonance behavior resulting from incorporated point defects. Samples shown by optical analysis to contain carbon-silicon complexes exhibit higher thermal conductivity above 100 K. Phonon scattering by point defects is determined to be the main limiting factor for thermal conductivity of AlN within the investigated temperature range.

Potentiometric detection of chemical vapors using molecularly imprinted polymers as receptors

PubMed Central

Liang, Rongning; Chen, Lusi; Qin, Wei

2015-01-01

Ion-selective electrode (ISE) based potentiometric gas sensors have shown to be promising analytical tools for detection of chemical vapors. However, such sensors are only capable of detecting those vapors which can be converted into ionic species in solution. This paper describes for the first time a polymer membrane ISE based potentiometric sensing system for sensitive and selective determination of neutral vapors in the gas phase. A molecularly imprinted polymer (MIP) is incorporated into the ISE membrane and used as the receptor for selective adsorption of the analyte vapor from the gas phase into the sensing membrane phase. An indicator ion with a structure similar to that of the vapor molecule is employed to indicate the change in the MIP binding sites in the membrane induced by the molecular recognition of the vapor. The toluene vapor is used as a model and benzoic acid is chosen as its indicator. Coupled to an apparatus manifold for preparation of vapor samples, the proposed ISE can be utilized to determine volatile toluene in the gas phase and allows potentiometric detection down to parts per million levels. This work demonstrates the possibility of developing a general sensing principle for detection of neutral vapors using ISEs. PMID:26215887

Solid-vapor interactions: influence of environmental conditions on the dehydration of carbamazepine dihydrate.

PubMed

Surana, Rahul; Pyne, Abira; Suryanarayanan, Raj

2004-12-31

The goal of this research was a phenomenological study of the effect of environmental factors on the dehydration behavior of carbamazepine dihydrate. Dehydration experiments were performed in an automated vapor sorption apparatus under a variety of conditions, and weight loss was monitored as a function of time. In addition to lattice water, carbamazepine dihydrate contained a significant amount of physically bound water. Based on the kinetics of water loss, it was possible to differentiate between the removal of physically bound water and the lattice water. The activation energy for the 2 processes was 44 and 88 kJ/mol, respectively. As expected, the dehydration rate of carbamazepine dihydrate decreased with an increase in water vapor pressure. While dehydration at 0% relative humidity (RH) resulted in an amorphous anhydrate, the crystallinity of the anhydrate increased as a function of the RH of dehydration. A method was developed for in situ crystallinity determination of the anhydrate formed. Dehydration in the presence of the ethanol vapor was a 2-step process, and the fraction dehydrated at each step was a function of the ethanol vapor pressure. We hypothesize the formation of an intermediate lower hydrate phase with unknown water stoichiometry. An increase in the ethanol vapor pressure first led to a decrease in the dehydration rate followed by an increase. In summary, the dehydration behavior of carbamazepine dihydrate was evaluated at different vapor pressures of water and ethanol. Using the water sorption apparatus, it was possible to (1) differentiate between the removal of physically bound and lattice water, and (2) develop a method for quantifying, in situ, the crystallinity of the product (anhydrate) phase.

Nonlinear dynamics of confined thin liquid-vapor bilayer systems with phase change

NASA Astrophysics Data System (ADS)

Kanatani, Kentaro; Oron, Alexander

2011-03-01

We numerically investigate the nonlinear evolution of the interface of a thin liquid-vapor bilayer system confined by rigid horizontal walls from both below and above. The lateral variation of the vapor pressure arising from phase change is taken into account in the present analysis. When the liquid (vapor) is heated (cooled) and gravity acts toward the liquid, the deflection of the interface monotonically grows, leading to a rupture of the vapor layer, whereas nonruptured stationary states are found when the liquid (vapor) is cooled (heated) and gravity acts toward the vapor. In the latter case, vapor-flow-driven convective cells are found in the liquid phase in the stationary state. The average vapor pressure and interface temperature deviate from their equilibrium values once the interface departs from the flat equilibrium state. Thermocapillarity does not have a significant effect near the thermodynamic equilibrium, but becomes important if the system significantly deviates from it.

Treatment methods for breaking certain oil and water emulsions

DOEpatents

Sealock, Jr., L. John; Baker, Eddie G.; Elliott, Douglas C.

1992-01-01

Disclosed are treatment methods for breaking emulsions of petroleum oil and salt water, fatty oil and water, and those resulting from liquefication of organic material. The emulsions are broken by heating to a predetermined temperature at or above about 200.degree. C. and pressurizing to a predetermined pressure above the vapor pressure of water at the predetermined temperature to produce a heated and pressurized fluid. The heated and pressurized fluid is contained in a single vessel at the predetermined temperature and pressure for a predetermined period of time to effectively separate the emulsion into substantially distinct first and second phases, the first phase comprising primarily the petroleum oil, the second phase comprising primarily the water. The first and second phases are separately withdrawn from the vessel at a withdraw temperature between about 200.degree. C. and 374.degree. C. and a withdraw pressure above the vapor pressure of water at the withdraw temperature. Where solids are present in the certain emulsions, the above described treatment may also effectively separate the certain emulsion into a substantially distinct third phase comprising primarily the solids.

Apparatus and method for phosphate-accelerated bioremediation

DOEpatents

Looney, Brian B.; Pfiffner, Susan M.; Phelps, Tommy J.; Lombard, Kenneth H.; Hazen, Terry C.; Borthen, James W.

1998-01-01

An apparatus and method for supplying a vapor-phase nutrient to contaminated soil for in situ bioremediation. The apparatus includes a housing adapted for containing a quantity of the liquid nutrient, a conduit in communication with the interior of the housing, means for causing a gas to flow through the conduit, and means for contacting the gas with the liquid so that a portion thereof evaporates and mixes with the gas. The mixture of gas and nutrient vapor is delivered to the contaminated site via a system of injection and extraction wells configured to the site and provides for the use of a passive delivery system. The mixture has a partial pressure of vaporized nutrient that is no greater than the vapor pressure of the liquid. If desired, the nutrient and/or the gas may be heated to increase the vapor pressure and the nutrient concentration of the mixture. Preferably, the nutrient is a volatile, substantially nontoxic and nonflammable organic phosphate that is a liquid at environmental temperatures, such as triethyl phosphate or tributyl phosphate.

Apparatus and method for phosphate-accelerated bioremediation

DOEpatents

Looney, B.B.; Phelps, T.J.; Hazen, T.C.; Pfiffner, S.M.; Lombard, K.H.; Borthen, J.W.

1994-01-01

An apparatus and method for supplying a vapor-phase nutrient to contaminated soil for in situ bioremediation. The apparatus includes a housing adapted for containing a quantity of the liquid nutrient, a conduit in fluid communication with the interior of the housing, means for causing a gas to flow through the conduit, and means for contacting the gas with the liquid so that a portion thereof evaporates and mixes with the gas. The mixture of gas and nutrient vapor is delivered to the contaminated site via a system of injection and extraction wells configured to the site. The mixture has a partial pressure of vaporized nutrient that is no greater than the vapor pressure of the liquid. If desired, the nutrient and/or the gas may be heated to increase the vapor pressure and the nutrient concentration of the mixture. Preferably, the nutrient is a volatile, substantially nontoxic and nonflammable organic phosphate that is a liquid at environmental temperatures, such as triethyl phosphate or tributyl phosphate.

Method for phosphate-accelerated bioremediation

DOEpatents

Looney, Brian B.; Lombard, Kenneth H.; Hazen, Terry C.; Pfiffner, Susan M.; Phelps, Tommy J.; Borthen, James W.

1996-01-01

An apparatus and method for supplying a vapor-phase nutrient to contaminated soil for in situ bioremediation. The apparatus includes a housing adapted for containing a quantity of the liquid nutrient, a conduit in fluid communication with the interior of the housing, means for causing a gas to flow through the conduit, and means for contacting the gas with the liquid so that a portion thereof evaporates and mixes with the gas. The mixture of gas and nutrient vapor is delivered to the contaminated site via a system of injection and extraction wells configured to the site. The mixture has a partial pressure of vaporized nutrient that is no greater than the vapor pressure of the liquid. If desired, the nutrient and/or the gas may be heated to increase the vapor pressure and the nutrient concentration of the mixture. Preferably, the nutrient is a volatile, substantially nontoxic and nonflammable organic phosphate that is a liquid at environmental temperatures, such as triethyl phosphate or tributyl phosphate.

Speciation and quantification of vapor phases in soy biodiesel and waste cooking oil biodiesel.

PubMed

Peng, Chiung-Yu; Lan, Cheng-Hang; Dai, Yu-Tung

2006-12-01

This study characterizes the compositions of two biodiesel vapors, soy biodiesel and waste cooking oil biodiesel, to provide a comprehensive understanding of biodiesels. Vapor phases were sampled by purging oil vapors through thermal desorption tubes which were then analyzed by the thermal desorption/GC/MS system. The results show that the compounds of biodiesel vapors can be divided into four groups. They include methyl esters (the main biodiesel components), oxygenated chemicals, alkanes and alkenes, and aromatics. The first two chemical groups are only found in biodiesel vapors, not in the diesel vapor emissions. The percentages of mean concentrations for methyl esters, oxygenated chemicals, alkanes and alkenes, and aromatics are 66.1%, 22.8%, 4.8% and 6.4%, respectively for soy biodiesel, and 35.8%, 35.9%, 27.9% and 0.3%, respectively for waste cooking oil biodiesel at a temperature of 25+/-2 degrees C. These results show that biodiesels have fewer chemicals and lower concentrations in vapor phase than petroleum diesel, and the total emission rates are between one-sixteenth and one-sixth of that of diesel emission, corresponding to fuel evaporative emissions of loading losses of between 106 microg l(-1) and 283 microg l(-1). Although diesels generate more vapor phase emissions, biodiesels still generate considerable amount of vapor emissions, particularly the emissions from methyl esters and oxygenated chemicals. These two chemical groups are more reactive than alkanes and aromatics. Therefore, speciation and quantification of biodiesel vapor phases are important.

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.

Phase transformations during the growth of paracetamol crystals from the vapor phase

NASA Astrophysics Data System (ADS)

Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.; Bordei, N. S.

2014-07-01

Phase transformations during the growth of paracetamol crystals from the vapor phase are studied by differential scanning calorimetry. It is found that the vapor-crystal phase transition is actually a superposition of two phase transitions: a first-order phase transition with variable density and a second-order phase transition with variable ordering. The latter, being a diffuse phase transition, results in the formation of a new, "pretransition," phase irreversibly spent in the course of the transition, which ends in the appearance of orthorhombic crystals. X-ray diffraction data and micrograph are presented.

Trends in polycyclic aromatic hydrocarbon concentrations in the great lakes atmosphere.

PubMed

Sun, Ping; Blanchard, Pierrette; Brice, Kenneth A; Hites, Ronald A

2006-10-15

Atmospheric polycyclic aromatic hydrocarbon (PAHs) concentrations were measured in both the vapor and particle phases at seven sites near the Great Lakes as a part of the Integrated Atmospheric Deposition Network. Lower molecular weight PAHs, including fluorene, phenanthrene, fluoranthrene, and pyrene, were dominant in the vapor phase, and higher molecular weight PAHs, including chrysene, benzo[a]pyrene, and coronene, were dominant in the particle phase. The highest PAH concentrations in both the vapor and particle phases were observed in Chicago followed by the semiurban site at Sturgeon Point, NY. The spatial difference of PAH concentrations can be explained by the local population density. Long-term decreasing trends of most PAH concentrations were observed in both the vapor and particle phases at Chicago, with half-lives ranging from 3-10 years in the vapor phase and 5-15 years in the particle phase. At Eagle Harbor, Sleeping Bear Dunes, and Sturgeon Point, total PAH concentrations in the vapor phase showed significant, but slow, long-term decreasing trends. At the Sturgeon Point site, which was impacted by a nearby city, particle-phase PAH concentrations also declined. However, most particle-phase PAH concentrations did not show significant long-term decreasing trends at the remote sites. Seasonal trends were also observed for particle-phase PAH concentrations, which were higher in the winter and lower in the summer.

Environmentally friendly method to grow wide-bandgap semiconductor aluminum nitride crystals: Elementary source vapor phase epitaxy

PubMed Central

Wu, PeiTsen; Funato, Mitsuru; Kawakami, Yoichi

2015-01-01

Aluminum nitride (AlN) has attracted increasing interest as an optoelectronic material in the deep ultraviolet spectral range due to its wide bandgap of 6.0 eV (207 nm wavelength) at room temperature. Because AlN bulk single crystals are ideal device substrates for such applications, the crystal growth of bulky AlN has been extensively studied. Two growth methods seem especially promising: hydride vapor phase epitaxy (HVPE) and sublimation. However, the former requires hazardous gases such as hydrochloric acid and ammonia, while the latter needs extremely high growth temperatures around 2000 °C. Herein we propose a novel vapor-phase-epitaxy-based growth method for AlN that does not use toxic materials; the source precursors are elementary aluminum and nitrogen gas. To prepare our AlN, we constructed a new growth apparatus, which realizes growth of AlN single crystals at a rate of ~18 μm/h at 1550 °C using argon as the source transfer via the simple reaction Al + 1/2N2 → AlN. This growth rate is comparable to that by HVPE, and the growth temperature is much lower than that in sublimation. Thus, this study opens up a novel route to achieve environmentally friendly growth of AlN. PMID:26616203

Apparatus to measure the vapor pressure of slowly decomposing compounds from 1 Pa to 105 Pa

PubMed Central

Berg, Robert F.

2016-01-01

This article describes an apparatus and method for measuring vapor pressures in the range from 1 Pa to 105 Pa. Its three distinctive elements are : (1) the static pressure measurements were made with only a small temperature difference between the vapor and the condensed phase, (2) the sample was degassed in situ, and (3) the temperature range extended up to 200 °C. The apparatus was designed to measure metal-organic precursors, which often are toxic, pyrophoric, or unstable. Vapor pressures are presented for naphthalene, ferrocene, diethyl phthalate, and TEMAH (tetrakisethylmethylaminohafnium). Also presented are data for the temperature-dependent decomposition rate of TEMAH. PMID:27274567

Molecular-dynamics evaluation of fluid-phase equilibrium properties by a novel free-energy perturbation approach: Application to gas solubility and vapor pressure of liquid hexane

NASA Astrophysics Data System (ADS)

Kuwajima, Satoru; Kikuchi, Hiroaki; Fukuda, Mitsuhiro

2006-03-01

A novel free-energy perturbation method is developed for the computation of the free energy of transferring a molecule between fluid phases. The methodology consists in drawing a free-energy profile of the target molecule moving across a binary-phase structure built in the computer. The novelty of the method lies in the difference of the definition of the free-energy profile from the common definition. As an important element of the method, the process of making a correction to the transfer free energy with respect to the cutoff of intermolecular forces is elucidated. In order to examine the performance of the method in the application to fluid-phase equilibrium properties, molecular-dynamics computations are carried out for the evaluation of gas solubility and vapor pressure of liquid n-hexane at 298.15K. The gas species treated are methane, ethane, propane, and n-butane, with the gas solubility expressed as Henry's constant. It is shown that the method works fine and calculated results are generally in good agreement with experiments. It is found that the cutoff correction is strikingly large, constituting a dominant part of the calculated transfer free energy at the cutoff of 8Å.

Modeling of Thermal Performance of Multiphase Nuclear Fuel Cell Under Variable Gravity Conditions

NASA Technical Reports Server (NTRS)

Ding, Z.; Anghaie, S.

1996-01-01

A unique numerical method has been developed to model the dynamic processes of bulk evaporation and condensation processes, associated with internal heat generation and natural convection under different gravity levels. The internal energy formulation, for the bulk liquid-vapor phase change problems in an encapsulated container, was employed. The equations, governing the conservation of mass, momentum and energy for both phases involved in phase change, were solved. The thermal performance of a multiphase uranium tetra-fluoride fuel element under zero gravity, micro-gravity and normal gravity conditions has been investigated. The modeling yielded results including the evolution of the bulk liquid-vapor phase change process, the evolution of the liquid-vapor interface, the formation and development of the liquid film covering the side wall surface, the temperature distribution and the convection flow field in the fuel element. The strong dependence of the thermal performance of such multiphase nuclear fuel cell on the gravity condition has been revealed. Under all three gravity conditions, 0-g, 10(exp -3)-g, and 1-g, the liquid film is formed and covers the entire side wall. The liquid film covering the side wall is more isothermalized at the wall surface, which can prevent the side wall from being over-heated. As the gravity increases, the liquid film is thinner, the temperature gradient is larger across the liquid film and smaller across the vapor phase. This investigation provides valuable information about the thermal performance of multi-phase nuclear fuel element for the potential space and ground applications.

A unified equation for calculating methane vapor pressures in the CH4-H2O system with measured Raman shifts

USGS Publications Warehouse

Lu, W.; Chou, I.-Ming; Burruss, R.C.; Song, Y.

2007-01-01

A unified equation has been derived by using all available data for calculating methane vapor pressures with measured Raman shifts of C-H symmetric stretching band (??1) in the vapor phase of sample fluids near room temperature. This equation eliminates discrepancies among the existing data sets and can be applied at any Raman laboratory. Raman shifts of C-H symmetric stretching band of methane in the vapor phase of CH4-H2O mixtures prepared in a high-pressure optical cell were also measured at temperatures between room temperature and 200 ??C, and pressures up to 37 MPa. The results show that the CH4 ??1 band position shifts to higher wavenumber as temperature increases. We also demonstrated that this Raman band shift is a simple function of methane vapor density, and, therefore, when combined with equation of state of methane, methane vapor pressures in the sample fluids at elevated temperatures can be calculated from measured Raman peak positions. This method can be applied to determine the pressure of CH4-bearing systems, such as methane-rich fluid inclusions from sedimentary basins or experimental fluids in hydrothermal diamond-anvil cell or other types of optical cell. ?? 2007 Elsevier Ltd. All rights reserved.

Re-entrant phase behavior for systems with competition between phase separation and self-assembly

NASA Astrophysics Data System (ADS)

Reinhardt, Aleks; Williamson, Alexander J.; Doye, Jonathan P. K.; Carrete, Jesús; Varela, Luis M.; Louis, Ard A.

2011-03-01

In patchy particle systems where there is a competition between the self-assembly of finite clusters and liquid-vapor phase separation, re-entrant phase behavior can be observed, with the system passing from a monomeric vapor phase to a region of liquid-vapor phase coexistence and then to a vapor phase of clusters as the temperature is decreased at constant density. Here, we present a classical statistical mechanical approach to the determination of the complete phase diagram of such a system. We model the system as a van der Waals fluid, but one where the monomers can assemble into monodisperse clusters that have no attractive interactions with any of the other species. The resulting phase diagrams show a clear region of re-entrance. However, for the most physically reasonable parameter values of the model, this behavior is restricted to a certain range of density, with phase separation still persisting at high densities.

The spectral details of observed and simulated short-term water vapor feedbacks of El Niño-Southern Oscillation

NASA Astrophysics Data System (ADS)

Pan, F.; Huang, X.; Chen, X.

2015-12-01

Radiative kernel method has been validated and widely used in the study of climate feedbacks. This study uses spectrally resolved longwave radiative kernels to examine the short-term water vapor feedbacks associated with the ENSO cycles. Using a 500-year GFDL CM3 and a 100-year NCAR CCSM4 pre-industry control simulation, we have constructed two sets of longwave spectral radiative kernels. We then composite El Niño, La Niña and ENSO-neutral states and estimate the water vapor feedbacks associated with the El Niño and La Niña phases of ENSO cycles in both simulations. Similar analysis is also applied to 35-year (1979-2014) ECMWF ERA-interim reanalysis data, which is deemed as observational results here. When modeled and observed broadband feedbacks are compared to each other, they show similar geographic patterns but with noticeable discrepancies in the contrast between the tropics and extra-tropics. Especially, in El Niño phase, the feedback estimated from reanalysis is much greater than those from the model simulations. Considering the observational data span, we carry out a sensitivity test to explore the variability of feedback-deriving using 35-year data. To do so, we calculate the water vapor feedback within every 35-year segment of the GFDL CM3 control run by two methods: one is to composite El Nino or La Nina phases as mentioned above and the other is to regressing the TOA flux perturbation caused by water vapor change (δR_H­2O) against the global-mean surface temperature a­­­­nomaly. We find that the short-term feedback strengths derived from composite method can change considerably from one segment to another segment, while the feedbacks by regression method are less sensitive to the choice of segment and their strengths are also much smaller than those from composite analysis. This study suggests that caution is warranted in order to infer long-term feedbacks from a few decades of observations. When spectral details of the global-mean feedbacks are examined, more inconsistencies can be revealed in many spectral bands, especially H2O continuum absorption bands and window regions. These discrepancies can be attributed back to differences in observed and modeled water vapor profiles in responses to tropical SST.

ALTERNATIVE ROUTES FOR CATALYST PREPARATION: USE OF ULTRASOUND AND MICROWAVE IRRADIATION FOR THE PREPARATION OF VANADIUM PHOSPHORUS OXIDE CATALYST AND ITS ACTIVITY FOR HYDROCARBON OXIDATION

EPA Science Inventory

Vanadium phosphorus oxide (VPO) is a well-known catalyst used for the vapor phase n-butane oxidation to maleic anhydride. It is prepared by a variety of methods, all of which, however, eventually result in the same active phase. The two main methods for the preparation of its pr...

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...

Gas/Particle Partitioning of Organic Acids and Organic Aerosols in a Ponderosa Pine Forest in Colorado during BEACHON-RoMBAS 2011

NASA Astrophysics Data System (ADS)

Jimenez, J. L.; Yatavelli, L.; Stark, H.; Hayes, P. L.; Campuzano-Jost, P.; Thompson, S.; Kimmel, J. R.; Day, D. A.; Cubison, M. J.; Thornton, J. A.; Jayne, J.; Worsnop, D. R.

2012-12-01

The Bio-hydro-atmosphere interactions of Energy, Aerosols, Carbon, H2O, Organics & Nitrogen - Rocky Mountain Biogenic Aerosol Study (BEACHON-RoMBAS) took place at Manitou Forest, CO, during July-Aug. 2011. Gas and particle-phase organic acids were analyzed in real time using a micro-orifice volatilization impactor chemical ionization high-resolution time-of-flight mass spectrometer (MOVI-HRToF-CIMS; Yatavelli et al., AS&T 2012; Yatavelli & Thornton, AS&T 2010) with acetate as the reagent ion. During the gas sampling phase (when the MOVI was at room temperature) aerosol was collected on the MOVI impactor, and was subsequently thermally desorbed over 10 min. under nitrogen, allowing the collection of temperature-programmed thermal desorption (TPTD) mass spectra of particle-phase species. The high resolution of the instrument allows the determination of the elemental composition of most detected ions. Positive Matrix Factorization (PMF) is shown to be very useful to quantify the CIMS backgrounds during the different phases of operation. Two methods were used to estimate the volatility of the detected species. First, the fraction of each species in the particle phase (Fp) vs carbon number was found to approximately follow partitioning theory, both for the alkanoic acids and also for the total acid signal, after accounting for the effect of the oxidation state on vapor pressure. Fp was found to respond on timescales of ~1 h to changes in ambient temperature, indicating that diffusion limitations to evaporation are not major for the aerosol at this site. Preliminary results suggest that Fp depends more strongly on vapor pressure and temperature than on RH, suggesting preferential partitioning for the organic phase rather than the water phase. Secondly, the volatility of individual or groups of acids can be quantified based on the TPTD signal based on calibration with multiple acids of known vapor pressure at concentrations similar to ambient, analogous to the methods of Chattopadhyay and Ziemann (Anal. Chem. 2001) and Faulhaber et al. (AMT, 2009) for other TPTD techniques. The log of the vapor pressure of each compound is shown to be strongly related to the inverse of the desorption temperature for standards spanning 6 orders of magnitude in vapor pressure. A shift in the calibration curve when compared to other techniques is attributed to differences in time available for evaporation and physical arrangement of the particles on the aerosol collection surface. A method to remove the broadening of the transfer function is used to produce more accurate volatility distributions ("basis sets", VBS). Results of both methods are compared, also focusing on key species such as pinic, pinonic, tricarballylic, and oxalic acids. The effects of gas-phase adsorption on the thermogram signal are estimated based on tests sampling through a teflon filter. In addition, an Aerodyne Aerosol Mass Spectrometer (AMS) sampled ambient air and also air that had been thermally denuded at different temperatures. The method of Faulhaber et al is used to derive an estimated volatility distribution for the total organic aerosol and the organic acid fraction (based on m/z 44, CO2+), which are compared to the CIMS results.

Stand-off detection of vapor phase explosives by resonance enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Ehlerding, Anneli; Johansson, Ida; Wallin, Sara; Östmark, Henric

2010-10-01

Stand-off measurements on nitromethane (NM), 2,4-DNT and 2,4,6-TNT in vapor phase using resonance Raman spectroscopy have been performed. The Raman cross sections for NM, DNT and TNT in vapor phase have been measured in the wavelength range 210-300 nm under laboratory conditions, in order to estimate how large resonance enhancement factors can be achieved for these explosives. The measurements show that the signal is greatly enhanced, up to 250.000 times for 2,4-DNT and 60.000 times for 2,4,6-TNT compared to the non-resonant signal at 532 nm. For NM the resonance enhancement enabled realistic outdoor measurements in vapor phase at 13 m distance. This all indicate a potential for resonance Raman spectroscopy as a stand-off technique for detection of vapor phase explosives.

INTERNATIONAL CONFERENCE ON SEMICONDUCTOR INJECTION LASERS SELCO-87: Metal-organic vapor phase epitaxy of (GaAl)As for 0.85-μm laser diodes

NASA Astrophysics Data System (ADS)

Jacobs, K.; Bugge, F.; Butzke, G.; Lehmann, L.; Schimko, R.

1988-11-01

Metal-organic vapor phase epitaxy was used to grow stripe heterolaser diodes that were hitherto fabricated by liquid phase epitaxy. The main relationships between the growth parameters (partial input pressures, temperatures) and the properties of materials (thicknesses, solid-solution compositions, carrier densities) were investigated. The results were in full agreement with the mechanism of growth controlled by a vapor-phase diffusion. The results achieved routinely in the growth of GaAs are reported. It is shown that double heterostructure laser diodes fabricated by metal-organic vapor phase epitaxy compete favorably with those grown so far by liquid phase epitaxy, including their degradation and reliability.

Preparation of mesoporous nanofibers by vapor phase synthesis: control of mesopore structures with the aid of co-surfactants.

PubMed

Min, Sa Hoon; Bae, Joonwon; Jang, Jyongsik; Lee, Kyung Jin

2013-06-28

Mesoporous nanofibers (MSNFs) can be fabricated in the pores of anodic aluminum oxide (AAO) membrane using diverse methods. Among them vapor phase synthesis (VPS) provides several advantages over sol-gel or evaporation-induced self-assembly (EISA) based methods. One powerful advantage is that we can employ multiple surfactants as structural directing agents (SDAs) simultaneously. By adopting diverse pairs of SDAs, we can control the mesopore structures, i.e. pore size, surface area, and even the morphology of mesostructures. Here, we used F127 as a main SDA, which is relatively robust (thus, difficult to change the mesopore structures), and added a series of cationic co-surfactants to observe the systematical changes in their mesostructure with respect to the chain length of the co-surfactant.

Preparation of mesoporous nanofibers by vapor phase synthesis: control of mesopore structures with the aid of co-surfactants

NASA Astrophysics Data System (ADS)

Min, Sa Hoon; Bae, Joonwon; Jang, Jyongsik; Lee, Kyung Jin

2013-06-01

Mesoporous nanofibers (MSNFs) can be fabricated in the pores of anodic aluminum oxide (AAO) membrane using diverse methods. Among them vapor phase synthesis (VPS) provides several advantages over sol-gel or evaporation-induced self-assembly (EISA) based methods. One powerful advantage is that we can employ multiple surfactants as structural directing agents (SDAs) simultaneously. By adopting diverse pairs of SDAs, we can control the mesopore structures, i.e. pore size, surface area, and even the morphology of mesostructures. Here, we used F127 as a main SDA, which is relatively robust (thus, difficult to change the mesopore structures), and added a series of cationic co-surfactants to observe the systematical changes in their mesostructure with respect to the chain length of the co-surfactant.

Catalytic biomass conversion methods, catalysts, and methods of making the same

DOEpatents

Delgass, William Nicholas; Agrawal, Rakesh; Ribeiro, Fabio Henrique; Saha, Basudeb; Yohe, Sara Lynn; Abu-Omar, Mahdi M; Parsell, Trenton; Dietrich, Paul James; Klein, Ian Michael

2017-10-10

Described herein are processes for one-step delignification and hydrodeoxygenation of lignin fraction a biomass feedstock. The lignin feedstock is derived from by-products of paper production and biorefineries. Additionally described is a process for converting biomass-derived oxygenates to lower oxygen-content compounds and/or hydrocarbons in the liquid or vapor phase in a reactor system containing hydrogen and a catalyst comprised of a hydrogenation function and/or an oxophilic function and/or an acid function. Finally, also described herein is a process for converting biomass-derived oxygenates to lower oxygen-content compounds and/or hydrocarbons in the liquid or vapor phase in a reactor system containing hydrogen and a catalyst comprised of a hydrogenation function and/or an oxophilic function and/or an acid function.

Production of higher quality bio-oils by in-line esterification of pyrolysis vapor

DOEpatents

Hilten, Roger Norris; Das, Keshav; Kastner, James R; Bibens, Brian P

2014-12-02

The disclosure encompasses in-line reactive condensation processes via vapor phase esterification of bio-oil to decease reactive species concentration and water content in the oily phase of a two-phase oil, thereby increasing storage stability and heating value. Esterification of the bio-oil vapor occurs via the vapor phase contact and subsequent reaction of organic acids with ethanol during condensation results in the production of water and esters. The pyrolysis oil product can have an increased ester content and an increased stability when compared to a condensed pyrolysis oil product not treated with an atomized alcohol.

Subatmospheric vapor pressures for fluoromethane (R41), 1,1-difluoroethane (R152a), and 1,1,1-trifluoroethane (R143a) evaluated from internal-energy measurements

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

Duarte-Garza, H.A.; Magee, J.W.

1999-09-01

Vapor pressures were evaluated from measured internal-energy changes {Delta}U{sup (2)} in the vapor + liquid two-phase region. The method employed a thermodynamic relationship between the derivative quantity ({partial_derivative}U{sup (2)}/{partial_derivative}V){sub T}, the vapor pressure p{sub {sigma}}, and its temperature derivative ({partial_derivative}p/{partial_derivative}T){sub {sigma}}. This method was applied at temperatures between the triple point and the normal boiling point of three substances: fluoromethane (R41), 1,1-difluoroethane (R152a), and 1,1,1-trifluoroethane (R143a). In the case of R41, vapor pressures up to 1 MPa were calculated to validate the technique at higher pressures. For R152a, the calculated vapor pressure at the triple-point temperature differed from a directmore » experimental measurement by less than the claimed uncertainty (5 Pa) of the measurement. The calculated vapor pressures for R41 helped to resolve discrepancies in several published vapor pressure sources. Agreement with experimentally measured vapor pressures for R152a and for R143a near the normal boiling point (101.325 kPa) was within the experimental uncertainty of approximately 0.04 kPa (0.04%) for the published measurements.« less

Methods of calculating engineering parameters for gas separations

NASA Technical Reports Server (NTRS)

Lawson, D. D.

1980-01-01

A group additivity method has been generated which makes it possible to estimate, from the structural formulas alone, the energy of vaporization and the molar volume at 25 C of many nonpolar organic liquids. From these two parameters and appropriate thermodynamic relationships it is then possible to predict the vapor pressure of the liquid phase and the solubility of various gases in nonpolar organic liquids. The data are then used to evaluate organic and some inorganic liquids for use in gas separation stages or as heat exchange fluids in prospective thermochemical cycles for hydrogen production.

Change in chromatogram patterns after volatilization of some Aroclors, and the associated quantitation problems

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

Lin, J.M.; Hee, S.S.Q.

1987-07-01

PCBs with the highest vapor pressures (fewest chlorines) in Aroclors 1016, 1242, 1254, and 1268 were enriched in the vapor phase relative to the original Aroclor during volatilization from a glass surface for up to 8 hr. PCBs with the lowest vapor pressures (most highly chlorinated) were enriched in the corresponding residue. Thus, visual matching of gas chromatograms with those of Aroclor standards may not be sufficient to identify a specific Aroclor since the past history of a sample is often unknown. The enrichment also was detected using isomeric classes, but not using total chlorine content. The perchlorination method andmore » the Webb-McCall method using all chromatographic peaks agreed quantitatively; this was not always so for the NIOSH multiple peaks and the Webb-McCall methods.« less

Cluster Free Energies from Simple Simulations of Small Numbers of Aggregants: Nucleation of Liquid MTBE from Vapor and Aqueous Phases.

PubMed

Patel, Lara A; Kindt, James T

2017-03-14

We introduce a global fitting analysis method to obtain free energies of association of noncovalent molecular clusters using equilibrated cluster size distributions from unbiased constant-temperature molecular dynamics (MD) simulations. Because the systems simulated are small enough that the law of mass action does not describe the aggregation statistics, the method relies on iteratively determining a set of cluster free energies that, using appropriately weighted sums over all possible partitions of N monomers into clusters, produces the best-fit size distribution. The quality of these fits can be used as an objective measure of self-consistency to optimize the cutoff distance that determines how clusters are defined. To showcase the method, we have simulated a united-atom model of methyl tert-butyl ether (MTBE) in the vapor phase and in explicit water solution over a range of system sizes (up to 95 MTBE in the vapor phase and 60 MTBE in the aqueous phase) and concentrations at 273 K. The resulting size-dependent cluster free energy functions follow a form derived from classical nucleation theory (CNT) quite well over the full range of cluster sizes, although deviations are more pronounced for small cluster sizes. The CNT fit to cluster free energies yielded surface tensions that were in both cases lower than those for the simulated planar interfaces. We use a simple model to derive a condition for minimizing non-ideal effects on cluster size distributions and show that the cutoff distance that yields the best global fit is consistent with this condition.

High-rate deposition of LiNb 1- xTa xO 3 films by thermal plasma spray CVD

NASA Astrophysics Data System (ADS)

Majima, T.; Yamamoto, H.; Kulinich, S. A.; Terashima, K.

2000-12-01

LiNb 1- xTa xO 3 films were prepared by a thermal plasma spray CVD method using liquid source materials. Preferentially (0 0 1)-oriented LiNb 1- xTa xO 3 films with satisfactory in-plane and out-of-plane alignment were fabricated on sapphire (0 0 1) substrates. The full-width at half-maximum (FWHM) of the (0 0 6) rocking curve could achieve 0.12°, which was comparable with those of LiNbO 3 and LiTaO 3 films prepared by other conventional vapor-phase deposition methods. The deposition rate was up to 0.07 μm/min, which was 5-40 times faster than those for most other conventional vapor-phase deposition methods. From inductively coupled plasma atomic emission spectroscopy analysis, x values of these films were estimated to be 0.36-0.49.

Vapor phase elemental sulfur amendment for sequestering mercury in contaminated soil

DOEpatents

Looney, Brian B.; Denham, Miles E.; Jackson, Dennis G.

2014-07-08

The process of treating elemental mercury within the soil is provided by introducing into the soil a heated vapor phase of elemental sulfur. As the vapor phase of elemental sulfur cools, sulfur is precipitated within the soil and then reacts with any elemental mercury thereby producing a reaction product that is less hazardous than elemental mercury.

High quality factor whispering gallery modes from self-assembled hexagonal GaN rods grown by metal-organic vapor phase epitaxy.

PubMed

Tessarek, C; Sarau, G; Kiometzis, M; Christiansen, S

2013-02-11

Self-assembled GaN rods were grown on sapphire by metal-organic vapor phase epitaxy using a simple two-step method that relies first on a nitridation step followed by GaN epitaxy. The mask-free rods formed without any additional catalyst. Most of the vertically aligned rods exhibit a regular hexagonal shape with sharp edges and smooth sidewall facets. Cathodo- and microphotoluminescence investigations were carried out on single GaN rods. Whispering gallery modes with quality factors greater than 4000 were measured demonstrating the high morphological and optical quality of the self-assembled GaN rods.

Modified Surface Having Low Adhesion Properties to Mitigate Insect Residue Adhesion

NASA Technical Reports Server (NTRS)

Wohl, Christopher J., Jr. (Inventor); Smith, Joseph G., Jr. (Inventor); Siochi, Emilie J. (Inventor); Penner, Ronald K. (Inventor)

2016-01-01

A process to modify a surface to provide reduced adhesion surface properties to mitigate insect residue adhesion. The surface may include the surface of an article including an aircraft, an automobile, a marine vessel, all-terrain vehicle, wind turbine, helmet, etc. The process includes topographically and chemically modifying the surface by applying a coating comprising a particulate matter, or by applying a coating and also topographically modifying the surface by various methods, including but not limited to, lithographic patterning, laser ablation and chemical etching, physical vapor phase deposition, chemical vapor phase deposition, crystal growth, electrochemical deposition, spin casting, and film casting.

Identification of vapor-phase chemical warfare agent simulants and rocket fuels using laser-induced breakdown spectroscopy

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

Stearns, Jaime A.; McElman, Sarah E.; Dodd, James A.

2010-05-01

Application of laser-induced breakdown spectroscopy (LIBS) to the identification of security threats is a growing area of research. This work presents LIBS spectra of vapor-phase chemical warfare agent simulants and typical rocket fuels. A large dataset of spectra was acquired using a variety of gas mixtures and background pressures and processed using partial least squares analysis. The five compounds studied were identified with a 99% success rate by the best method. The temporal behavior of the emission lines as a function of chamber pressure and gas mixture was also investigated, revealing some interesting trends that merit further study.

Selective Template Wetting Routes to Hierarchical Polymer Films: Polymer Nanotubes from Phase-Separated Films via Solvent Annealing.

PubMed

Ko, Hao-Wen; Cheng, Ming-Hsiang; Chi, Mu-Huan; Chang, Chun-Wei; Chen, Jiun-Tai

2016-03-01

We demonstrate a novel wetting method to prepare hierarchical polymer films with polymer nanotubes on selective regions. This strategy is based on the selective wetting abilities of polymer chains, annealed in different solvent vapors, into the nanopores of porous templates. Phase-separated films of polystyrene (PS) and poly(methyl methacrylate) (PMMA), two commonly used polymers, are prepared as a model system. After anodic aluminum oxide (AAO) templates are placed on the films, the samples are annealed in vapors of acetic acid, in which the PMMA chains are swollen and wet the nanopores of the AAO templates selectively. As a result, hierarchical polymer films containing PMMA nanotubes can be obtained after the AAO templates are removed. The distribution of the PMMA nanotubes of the hierarchical polymer films can also be controlled by changing the compositions of the polymer blends. This work not only presents a novel method to fabricate hierarchical polymer films with polymer nanotubes on selective regions, but also gives a deeper understanding in the selective wetting ability of polymer chains in solvent vapors.

Combined heat and mass transfer device for improving separation process

DOEpatents

Tran, Thanh Nhon

1999-01-01

A two-phase small channel heat exchange matrix simultaneously provides for heat transfer and mass transfer between the liquid and vapor phases of a multi-component mixture at a single, predetermined location within a separation column, significantly improving the thermodynamic efficiency of the separation process. The small channel heat exchange matrix is composed of a series of channels having a hydraulic diameter no greater than 5.0 millimeters for conducting a two-phase coolant. In operation, the matrix provides the liquid-vapor contacting surfaces within the separation column, such that heat and mass are transferred simultaneously between the liquid and vapor phases. The two-phase coolant allows for a uniform heat transfer coefficient to be maintained along the length of the channels and across the surface of the matrix. Preferably, a perforated, concave sheet connects each channel to an adjacent channel to facilitate the flow of the liquid and vapor phases within the column and to increase the liquid-vapor contacting surface area.

Combined heat and mass transfer device for improving separation process

DOEpatents

Tran, T.N.

1999-08-24

A two-phase small channel heat exchange matrix simultaneously provides for heat transfer and mass transfer between the liquid and vapor phases of a multi-component mixture at a single, predetermined location within a separation column, significantly improving the thermodynamic efficiency of the separation process. The small channel heat exchange matrix is composed of a series of channels having a hydraulic diameter no greater than 5.0 millimeters for conducting a two-phase coolant. In operation, the matrix provides the liquid-vapor contacting surfaces within the separation column, such that heat and mass are transferred simultaneously between the liquid and vapor phases. The two-phase coolant allows for a uniform heat transfer coefficient to be maintained along the length of the channels and across the surface of the matrix. Preferably, a perforated, concave sheet connects each channel to an adjacent channel to facilitate the flow of the liquid and vapor phases within the column and to increase the liquid-vapor contacting surface area. 12 figs.

Jet Simulation in a Diesel Engine

NASA Astrophysics Data System (ADS)

Xu, Zhiliang

2005-03-01

We present a numerical study of the jet breakup and spray formation in a diesel engine by the Front Tracking method. The mechanisms of jet breakup and spray formation of a high speed diesel jet injected through a circular nozzle are the key to design a fuel efficient, nonpolluting diesel engine. We conduct the simulations for the jet breakup within a 2D axis-symmetric geometry. Our goal is to model the spray at a micro-physical level, with the creation of individual droplets. The problem is multiscale. The droplets are a few microns in size. The nozzle is about 0.2 mm in diameter and 1 mm in length. To resolve various physical patterns such as vortex, shock waves, vacuum and track droplets and spray, the Burger-Colella adaptive mesh refinement technique is used. To simulate the spray formation, we model mixed vapor-liquid region through a heterogeneous model with dynamic vapor bubble insertion. The formation of the cavitation is represented by the dynamic creation of vapor bubbles. On the liquid/vapor interface, a phase transition problem is solved numerically. The phase transition is governed by the compressible Euler equations with heat diffusion. Our solution is a new description for the Riemann problem associated with a phase transition in a fully compressible fluid.

A Tissue-Mimicking Ultrasound Test Object Using Droplet Vaporization to Create Point Targets

PubMed Central

Carneal, Catherine M.; Kripfgans, Oliver D.; Krücker, Jochen; Carson, Paul L.; Fowlkes, J. Brian

2012-01-01

Ultrasound test objects containing reference point targets could be useful for evaluating ultrasound systems and phase aberration correction methods. Polyacrylamide gels containing albumin-stabilized droplets (3.6 µm mean diameter) of dodecafluoropentane (DDFP) are being developed for this purpose. Perturbation by ultrasound causes spontaneous vaporization of the superheated droplets to form gas bubbles, a process termed acoustic droplet vaporization (ADV). The resulting bubbles (20 to 160 µm diameter) are small compared with acoustic wavelengths in diagnostic ultrasound and are theoretically suitable for use as point targets (phase errors <20° for typical f-numbers). Bubbles distributed throughout the material are convenient for determining the point spread function in an imaging plane or volume. Cooling the gel causes condensation of the DDFP droplets, which may be useful for storage. Studying ADV in such viscoelastic media could provide insight into potential bioeffects from rapid bubble formation. PMID:21937339

Compatibility testing of spacecraft materials and spacestorable liquid propellants. [liquid and vapor fluorine and FLOX

NASA Technical Reports Server (NTRS)

Denson, J. R.; Toy, A.

1974-01-01

Compatibility data for aluminum alloy 2219-T87 and titanium alloy Ti-6Al-4V were obtained while these alloys were exposed to both liquid and vapor fluorine and FLOX at -320 F + or -10 F. These data were obtained using a new low cost compatibility method which incorporates totally sealed containers and double dogbone test specimens and propellants in the simultaneous exposure to vapor and liquid phases. The compatibility investigation covered a storage period in excess of one year. Pitting was more severe in the 2219-T87 aluminum alloy than in the Ti-6Al-4V titanium alloy for both fluorine and FLOX exposure. The degree of chemical attack is more severe in the presence of FLOX than in fluorine and phase. The mechanical properties of the two alloys were not affected by storage in either of the two propellants.

Catalytic distillation water recovery subsystem

NASA Technical Reports Server (NTRS)

Budininkas, P.; Rasouli, F.

1985-01-01

An integrated engineering breadboard subsystem for the recovery of potable water from untreated urine based on the vapor phase catalytic ammonia removal was designed, fabricated and tested. Unlike other evaporative methods, this process catalytically oxidizes ammonia and volatile hydrocarbons vaporizing with water to innocuous products; therefore, no pretreatment of urine is required. Since the subsystem is fabricated from commercially available components, its volume, weight and power requirements are not optimized; however, it is suitable for zero-g operation. The testing program consists of parametric tests, one month of daily tests and a continuous test of 168 hours duration. The recovered water is clear, odorless, low in ammonia and organic carbon, and requires only an adjustment of its pH to meet potable water standards. The obtained data indicate that the vapor phase catalytic ammonia removal process, if further developed, would also be competitive with other water recovery systems in weight, volume and power requirements.

Spontaneous formation of GaN/AlN core-shell nanowires on sapphire by hydride vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Trassoudaine, Agnès; Roche, Elissa; Bougerol, Catherine; André, Yamina; Avit, Geoffrey; Monier, Guillaume; Ramdani, Mohammed Réda; Gil, Evelyne; Castelluci, Dominique; Dubrovskii, Vladimir G.

2016-11-01

Spontaneous GaN/AlN core-shell nanowires with high crystal quality were synthesized on sapphire substrates by vapor-liquid-solid hydride vapor phase epitaxy (VLS-HVPE) without any voluntary aluminum source. Deposition of aluminum is difficult to achieve in this growth technique which uses metal-chloride gaseous precursors: the strong interaction between the AlCl gaseous molecules and the quartz reactor yields a huge parasitic nucleation on the walls of the reactor upstream the substrate. We open up an innovative method to produce GaN/AlN structures by HVPE, thanks to aluminum etching from the sapphire substrate followed by redeposition onto the sidewalls of the GaN core. The paper presents the structural characterization of GaN/AlN core-shell nanowires, speculates on the growth mechanism and discusses a model which describes this unexpected behavior.

Fabrication, characterization and applications of iron selenide

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

Hussain, Raja Azadar, E-mail: hussainazadar@yahoo.com; Badshah, Amin; Lal, Bhajan

This review article presents fabrication of FeSe by solid state reactions, solution chemistry routes, chemical vapor deposition, spray pyrolysis and chemical vapor transport. Different properties and applications such as crystal structure and phase transition, band structure, spectroscopy, superconductivity, photocatalytic activity, electrochemical sensing, and fuel cell activity of FeSe have been discussed. - Graphical abstract: Iron selenide can be synthesized by solid state reactions, chemical vapor deposition, solution chemistry routes, chemical vapor transport and spray pyrolysis. - Highlights: • Different fabrication methods of iron selenide (FeSe) have been reviewed. • Crystal structure, band structure and spectroscopy of FeSe have been discussed.more » • Superconducting, catalytic and fuel cell application of FeSe have been presented.« less

Molecular dynamic approach to the study of the intense heat and mass transfer processes on the vapor-liquid interface

NASA Astrophysics Data System (ADS)

Levashov, V. Yu; Kamenov, P. K.

2017-10-01

The paper is devoted to research of the heat and mass transfer processes on the vapor-liquid interface. These processes can be realized for example at metal tempering, accidents at nuclear power stations, followed by the release of the corium into the heat carrier, getting hot magma into the water during volcanic eruptions and other. In all these examples the vapor film can arise on the heated body surface. In this paper the vapor film formation process will be considered with help of molecular dynamics simulation methods. The main attention during this process modeling will be focused on the subject of the fluid and vapor interactions with the heater surface. Another direction of this work is to study of the processes inside the droplet that may take place as result of impact of the high-power laser radiation. Such impact can lead to intensive evaporation and explosive destruction of the droplet. At that the duration of heat and mass transfer processes in droplet substance is tens of femtoseconds. Thus, the methods of molecular dynamics simulation can give the possibilities describe the heat and mass transfer processes in the droplet and the vapor phase formation.

Vapor-phase hydrothermal transformation of HTiOF3 intermediates into {001} faceted anatase single-crystalline nanosheets.

PubMed

Liu, Porun; Wang, Yun; Zhang, Haimin; An, Taicheng; Yang, Huagui; Tang, Zhiyong; Cai, Weiping; Zhao, Huijun

2012-12-07

For the first time, a facile, one-pot hydrofluoric acid vapor-phase hydrothermal (HF-VPH) method is demonstrated to directly grow single-crystalline anatase TiO(2) nanosheets with 98.2% of exposed {001} faceted surfaces on the Ti substrate via a distinctive two-stage formation mechanism. The first stage produces a new intermediate crystal (orthorhombic HTiOF(3) ) that is transformed into anatase TiO(2) nanosheets during the second stage. The findings reveal that the HF-VPH reaction environment is unique and differs remarkably from that of liquid-phase hydrothermal processes. The uniqueness of the HF-VPH conditions can be readily used to effectively control the nanostructure growth. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phosphate Reactions as Mechanisms of High-Temperature Lubrication

NASA Technical Reports Server (NTRS)

Nagarajan, Anitha; Garrido, Carolina; Gatica, Jorge E.; Morales, Wilfredo

2006-01-01

One of the major problems preventing the operation of advanced gas turbine engines at higher temperatures is the inability of currently used liquid lubricants to survive at these higher temperatures under friction and wear conditions. Current state-of-the-art organic liquid lubricants rapidly degrade at temperatures above 300 C; hence some other form of lubrication is necessary. Vapor-phase lubrication is a promising new technology for high-temperature lubrication. This lubrication method employs a liquid phosphate ester that is vaporized and delivered to bearings or gears; the vapor reacts with the metal surfaces, generating a solid lubricious film that has proven very stable at high temperatures. In this study, solid lubricious films were grown on cast-iron foils in order to obtain reaction and diffusion rate data to help characterize the growth mechanism. A phenomenological mathematical model of the film deposition process was derived incorporating transport and kinetic parameters that were coupled to the experimental data. This phenomenological model can now be reliably used as a predictive and scale-up tool for future vapor-phase lubrication studies.

Stability limit of liquid water in metastable equilibrium with subsaturated vapors.

PubMed

Wheeler, Tobias D; Stroock, Abraham D

2009-07-07

A pure liquid can reach metastable equilibrium with its subsaturated vapor across an appropriate membrane. This situation is analogous to osmotic equilibrium: the reduced chemical potential of the dilute phase (the subsaturated vapor) is compensated by a difference in pressure between the phases. To equilibrate with subsaturated vapor, the liquid phase assumes a pressure that is lower than its standard vapor pressure, such that the liquid phase is metastable with respect to the vapor phase. For sufficiently subsaturated vapors, the liquid phase can even assume negative pressures. The appropriate membrane for this metastable equilibrium must provide the necessary mechanical support to sustain the difference in pressure between the two phases, limit nonhomogeneous mechanisms of cavitation, and resist the entry of the dilutant (gases) into the pure phase (liquid). In this article, we present a study of the limit of stability of liquid water--the degree of subsaturation at which the liquid cavitates--in this metastable state within microscale voids embedded in hydrogel membranes. We refer to these structures as vapor-coupled voids (VCVs). In these VCVs, we observed that liquid water cavitated when placed in equilibrium with vapors of activity aw,vapair

Apparatus and method for phosphate-accelerated bioremediation

DOEpatents

Looney, B.B.; Pfiffner, S.M.; Phelps, T.J.; Lombard, K.H.; Hazen, T.C.; Borthen, J.W.

1998-05-19

An apparatus and method are provided for supplying a vapor-phase nutrient to contaminated soil for in situ bioremediation. The apparatus includes a housing adapted for containing a quantity of the liquid nutrient, a conduit in communication with the interior of the housing, means for causing a gas to flow through the conduit, and means for contacting the gas with the liquid so that a portion evaporates and mixes with the gas. The mixture of gas and nutrient vapor is delivered to the contaminated site via a system of injection and extraction wells configured to the site and provides for the use of a passive delivery system. The mixture has a partial pressure of vaporized nutrient that is no greater than the vapor pressure of the liquid. If desired, the nutrient and/or the gas may be heated to increase the vapor pressure and the nutrient concentration of the mixture. Preferably, the nutrient is a volatile, substantially nontoxic and nonflammable organic phosphate that is a liquid at environmental temperatures, such as triethyl phosphate or tributyl phosphate. 8 figs.

Trends in polycyclic aromatic hydrocarbon concentrations in the Great Lakes atmosphere

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

Ping Sun; Pierrette Blanchard; Kenneth A. Brice

2006-10-15

Atmospheric polycyclic aromatic hydrocarbon (PAHs) concentrations were measured in both the vapor and particle phases at seven sites near the Great Lakes as a part of the Integrated Atmospheric Deposition Network. Lower molecular weight PAHs, including fluorene, phenanthrene, fluoranthrene, and pyrene, were dominant in the vapor phase, and higher molecular weight PAHs, including chrysene, benzo(a)pyrene, and coronene, were dominant in the particle phase. The highest PAH concentrations in both the vapor and particle phases were observed in Chicago followed by the semiurban site at Sturgeon Point, NY. The major sources of PAHs in and around Chicago are vehicle emissions, coalmore » and natural gas combustion, and coke production. The spatial difference of PAH concentrations can be explained by the local population density. Long-term decreasing trends of most PAH concentrations were observed in both the vapor and particle phases at Chicago, with half-lives ranging from 3-10 years in the vapor phase and 5-15 years in the particle phase. At Eagle Harbor, Sleeping Bear Dunes, and Sturgeon Point, total PAH concentrations in the vapor phase showed significant, but slow, long-term decreasing trends. At the Sturgeon Point site, which was impacted by a nearby city, particle-phase PAH concentrations also declined. However, most particle-phase PAH concentrations did not show significant long-term decreasing trends at the remote sites. Seasonal trends were also observed for particle-phase PAH concentrations, which were higher in the winter and lower in the summer. 36 refs., 4 figs., 1 tab.« less

Feasibility Study of Vapor-Mist Phase Reaction Lubrication Using a Thioether Liquid

NASA Technical Reports Server (NTRS)

Morales, Wilfredo; Handschuh, Robert F.; Krantz, Timothy L.

2007-01-01

A primary technology barrier preventing the operation of gas turbine engines and aircraft gearboxes at higher temperatures is the inability of currently used liquid lubricants to survive at the desired operating conditions over an extended time period. Current state-of-the-art organic liquid lubricants rapidly degrade at temperatures above 300 C; hence, another form of lubrication is necessary. Vapor or mist phase reaction lubrication is a unique, alternative technology for high temperature lubrication. The majority of past studies have employed a liquid phosphate ester that was vaporized or misted, and delivered to bearings or gears where the phosphate ester reacted with the metal surfaces generating a solid lubricious film. This method resulted in acceptable operating temperatures suggesting some good lubrication properties, but the continuous reaction between the phosphate ester and the iron surfaces led to wear rates unacceptable for gas turbine engine or aircraft gearbox applications. In this study, an alternative non-phosphate liquid was used to mist phase lubricate a spur gearbox rig operating at 10,000 rpm under highly loaded conditions. After 21 million shaft revolutions of operation the gears exhibited only minor wear.

Development of electrically insulating coatings for service in a lithium environment

NASA Astrophysics Data System (ADS)

Natesan, K.; Uz, M.; Wieder, S.

2000-12-01

Several experiments were conducted to develop electrically insulating CaO coatings on a V-4Cr-4Ti alloy for application in a Li environment. The coatings were developed by vapor-phase transport external to Li, and also in situ in a Li-Ca environment at elevated temperature. In the vapor-phase study, several geometrical arrangements were examined to obtain a uniform coating of Ca on the specimens, which were typically coupons measuring 5 to 10 × 5 × 1 mm 3. After Ca deposition from the vapor phase, the specimens were oxidized in a high-purity argon environment at 600°C to convert the deposited metal into oxide. The specimens exhibited insulating characteristics after this oxidation step. Several promising coated specimens were then exposed to high-purity Li at 500°C for 48-68 h to determine coating integrity. Microstructural characteristics of the coatings were evaluated by scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) analysis. Electrical resistances of the coatings were measured by a two-probe method between room temperature and 700°C before and after exposure to Li.

Anisotropic electrical conduction and reduction in dangling-bond density for polycrystalline Si films prepared by catalytic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Niikura, Chisato; Masuda, Atsushi; Matsumura, Hideki

1999-07-01

Polycrystalline Si (poly-Si) films with high crystalline fraction and low dangling-bond density were prepared by catalytic chemical vapor deposition (Cat-CVD), often called hot-wire CVD. Directional anisotropy in electrical conduction, probably due to structural anisotropy, was observed for Cat-CVD poly-Si films. A novel method to separately characterize both crystalline and amorphous phases in poly-Si films using anisotropic electrical conduction was proposed. On the basis of results obtained by the proposed method and electron spin resonance measurements, reduction in dangling-bond density for Cat-CVD poly-Si films was achieved using the condition to make the quality of the included amorphous phase high. The properties of Cat-CVD poly-Si films are found to be promising in solar-cell applications.

Toward a simple, repeatable, non-destructive approach to measuring stable-isotope ratios of water within tree stems

NASA Astrophysics Data System (ADS)

Raulerson, S.; Volkmann, T.; Pangle, L. A.

2017-12-01

Traditional methodologies for measuring ratios of stable isotopes within the xylem water of trees involve destructive coring of the stem. A recent approach involves permanently installed probes within the stem, and an on-site assembly of pumps, switching valves, gas lines, and climate-controlled structure for field deployment of a laser spectrometer. The former method limits the possible temporal resolution of sampling, and sample size, while the latter may not be feasible for many research groups. We present results from initial laboratory efforts towards developing a non-destructive, temporally-resolved technique for measuring stable isotope ratios within the xylem flow of trees. Researchers have used direct liquid-vapor equilibration as a method to measure isotope ratios of the water in soil pores. Typically, this is done by placing soil samples in a fixed container, and allowing the liquid water within the soil to come into isotopic equilibrium with the headspace of the container. Water can also be removed via cryogenic distillation or azeotropic distillation, with the resulting liquid tested for isotope ratios. Alternatively, the isotope ratios of the water vapor can be directly measured using a laser-based water vapor isotope analyzer. Well-established fractionation factors and the isotope ratios in the vapor phase are then used to calculate the isotope ratios in the liquid phase. We propose a setup which would install a single, removable chamber onto a tree, where vapor samples could non-destructively and repeatedly be taken. These vapor samples will be injected into a laser-based isotope analyzer by a recirculating gas conveyance system. A major part of what is presented here is in the procedure of taking vapor samples at 100% relative humidity, appropriately diluting them with completely dry N2 calibration gas, and injecting them into the gas conveyance system without inducing fractionation in the process. This methodology will be helpful in making temporally resolved measurements of the stable isotopes in xylem water, using a setup that can be easily repeated by other research groups. The method is anticipated to find broad application in ecohydrological analyses, and in tracer studies aimed at quantifying age distributions of soil water extracted by plant roots.

Vapor phase pyrolysis

NASA Technical Reports Server (NTRS)

Steurer, Wolfgang

1992-01-01

The vapor phase pyrolysis process is designed exclusively for the lunar production of oxygen. In this concept, granulated raw material (soil) that consists almost entirely of metal oxides is vaporized and the vapor is raised to a temperature where it dissociates into suboxides and free oxygen. Rapid cooling of the dissociated vapor to a discrete temperature causes condensation of the suboxides, while the oxygen remains essentially intact and can be collected downstream. The gas flow path and flow rate are maintained at an optimum level by control of the pressure differential between the vaporization region and the oxygen collection system with the aid of the environmental vacuum.

Composites for removing metals and volatile organic compounds and method thereof

DOEpatents

Coronado, Paul R [Livermore, CA; Coleman, Sabre J [Oakland, CA; Reynolds, John G [San Ramon, CA

2006-12-12

Functionalized hydrophobic aerogel/solid support structure composites have been developed to remove metals and organic compounds from aqueous and vapor media. The targeted metals and organics are removed by passing the aqueous or vapor phase through the composite which can be in molded, granular, or powder form. The composites adsorb the metals and the organics leaving a purified aqueous or vapor stream. The species-specific adsorption occurs through specific functionalization of the aerogels tailored towards specific metals and/or organics. After adsorption, the composites can be disposed of or the targeted metals and/or organics can be reclaimed or removed and the composites recycled.

Wafer-Fused Orientation-Patterned GaAs

DTIC Science & Technology

2008-02-13

frequencies utilizing existing industrial foundries. 15. SUBJECT TERMS Orientation-patterned Gallium Arsenide, hydride vapor phase epitaxy, quasi-phase... Gallium Arsenide, hydride vapor phase epitaxy, quasi-phase-matching, nonlinear frequency conversion 1. INTRODUCTION Quasi-phase-matching (QPM)1...and E. Lallier, “Second harmonic generation of CO2 laser using thick quasi-phase-matched GaAs layer grown by hydride vapour phase epitaxy

Solar radiation synthesis of functional carbonaceous materials using Al2O3/TiO2-Cu-HA doped catalyst

NASA Astrophysics Data System (ADS)

Stanciu, Elena Manuela; Pascu, Alexandru; Roată, Ionut Claudiu; Croitoru, Cătălin; Tierean, Mircea; Rosca, Julia Mirza; Hulka, Iosif

2018-04-01

Single carbon nanotubes were synthesized through a physical vapor deposition method, using concentrated solar radiation as means of vaporization and promoting the formation of carbonaceous plasma plume. A novel catalyst, containing multiple hybrid ceramic/metal phases has been obtained through flame spraying. In conjunction with this catalyst, good quality nanomaterials, such as long single-walled nanotubes and nanoparticles have been obtained and characterized by both morphological (SEM, TEM) as well as structural means on analysis (XRD, FTIR). A mild oxidation of the carbonaceous phase has been reported, which could prove useful in applications in conjunction with metals or hydrophilic polymers as potential matrices for nanocomposites obtaining.

X-Ray Diffraction (XRD) Characterization Methods for Sigma=3 Twin Defects in Cubic Semiconductor (100) Wafers

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Kim, Hyun Jung (Inventor); Skuza, Jonathan R. (Inventor); Lee, Kunik (Inventor); Choi, Sang Hyouk (Inventor); King, Glen C. (Inventor)

2017-01-01

An X-ray defraction (XRD) characterization method for sigma=3 twin defects in cubic semiconductor (100) wafers includes a concentration measurement method and a wafer mapping method for any cubic tetrahedral semiconductor wafers including GaAs (100) wafers and Si (100) wafers. The methods use the cubic semiconductor's (004) pole figure in order to detect sigma=3/{111} twin defects. The XRD methods are applicable to any (100) wafers of tetrahedral cubic semiconductors in the diamond structure (Si, Ge, C) and cubic zinc-blend structure (InP, InGaAs, CdTe, ZnSe, and so on) with various growth methods such as Liquid Encapsulated Czochralski (LEC) growth, Molecular Beam Epitaxy (MBE), Organometallic Vapor Phase Epitaxy (OMVPE), Czochralski growth and Metal Organic Chemical Vapor Deposition (MOCVD) growth.

Thermogravimetric study of vapor pressure of TATP synthesized without recrystallization.

PubMed

Mbah, Jonathan; Knott, Debra; Steward, Scott

2014-11-01

This study aims at characterizing the vapor pressure signatures generated by triacetone triperoxide (TATP) that was synthesized without recrystallization by thermogravimmetric analysis (TGA) for exploitation by standoff detection technologies of explosive devices. The thermal behavior of the nonrecrystallized sample was compared with reported values. Any phase change, melting point and decomposition identification were studied by differential scanning calorimeter. Vapor pressures were estimated by the Langmuir method of evaporation from an open surface in a vacuum. Vapor pressures of TATP at different temperatures were calculated using the linear logarithmic relationship obtained from benzoic acid reference standard. Sublimation of TATP was found to follow apparent zero-order kinetics and sublimes at steady rates at 298 K and above. While the enthalpy of sublimation found, 71.7 kJ mol(-1), is in agreement with reported values the vapor pressures deviated significantly. The differences in the vapor pressures behavior are attributable to the synthesis pathway chosen in this study. Copyright © 2014 Elsevier B.V. All rights reserved.

Melt-Vapor Phase Diagram of the Te-S System

NASA Astrophysics Data System (ADS)

Volodin, V. N.; Trebukhov, S. A.; Kenzhaliyev, B. K.; Nitsenko, A. V.; Burabaeva, N. M.

2018-03-01

The values of partial pressure of saturated vapor of the constituents of the Te-S system are determined from boiling points. The boundaries of the melt-vapor phase transition at atmospheric pressure and in vacuum of 2000 and 100 Pa are calculated on the basis of partial pressures. A phase diagram that includes vapor-liquid equilibrium fields whose boundaries allow us to assess the behavior of elements upon distillation fractioning is plotted. It is established that the separation of elements is possible at the first evaporation-condensation cycle. Complications can be caused by crystallization of a sulfur solid solution in tellurium.

Method of forming semiconducting amorphous silicon films from the thermal decomposition of fluorohydridodisilanes

DOEpatents

Sharp, Kenneth G.; D'Errico, John J.

1988-01-01

The invention relates to a method of forming amorphous, photoconductive, and semiconductive silicon films on a substrate by the vapor phase thermal decomposition of a fluorohydridodisilane or a mixture of fluorohydridodisilanes. The invention is useful for the protection of surfaces including electronic devices.

Vapor-crystal phase transition in synthesis of paracetamol films by vacuum evaporation and condensation

NASA Astrophysics Data System (ADS)

Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.; Bordei, N. S.; Zarembo, V. I.

2014-03-01

We report on the structural and technological investigations of the vapor-crystal phase transition during synthesis of paracetamol films of the monoclinic system by vacuum evaporation and condensation in the temperature range 220-320 K. The complex nature of the transformation accompanied by the formation of a gel-like phase is revealed. The results are interpreted using a model according to which the vapor-crystal phase transition is not a simple first-order phase transition, but is a nonlinear superposition of two phase transitions: a first-order transition with a change in density and a second-order phase transition with a change in ordering. Micrographs of the surface of the films are obtained at different phases of formation.

Thermocouple psychrometry

USGS Publications Warehouse

Andraski, Brian J.; Scanlon, Bridget R.; Dane, Jacob H.; Topp, G. Clarke

2002-01-01

Thermocouple psychrometry is a technique that infers the water potential of the liquid phase of a sample from measurements within the vapor phase that is in equilibrium with the sample. The theoretical relation between water potential of the liquid phase and relative humidity of the vapor phase is given by the Kelvin equation Ψ = energy/volume = (RT/Vw) ln(p/po) [3.2.3–1]where ψ is water potential (sum of matric and osmotic potential, MPa), R is the universal gas constant (8.314 × 10-6 MJ mol-1 K-1), T is temperature (K), Vw is molar volume of water (1.8 × 10-5 m3 mol-1), and p/po is relative humidity expressed as a fraction where p is actual vapor pressure of air in equilibrium with the liquid phase (MPa) and po is saturation vapor pressure (MPa) at T.

Simulations of skin barrier function: free energies of hydrophobic and hydrophilic transmembrane pores in ceramide bilayers.

PubMed

Notman, Rebecca; Anwar, Jamshed; Briels, W J; Noro, Massimo G; den Otter, Wouter K

2008-11-15

Transmembrane pore formation is central to many biological processes such as ion transport, cell fusion, and viral infection. Furthermore, pore formation in the ceramide bilayers of the stratum corneum may be an important mechanism by which penetration enhancers such as dimethylsulfoxide (DMSO) weaken the barrier function of the skin. We have used the potential of mean constraint force (PMCF) method to calculate the free energy of pore formation in ceramide bilayers in both the innate gel phase and in the DMSO-induced fluidized state. Our simulations show that the fluid phase bilayers form archetypal water-filled hydrophilic pores similar to those observed in phospholipid bilayers. In contrast, the rigid gel-phase bilayers develop hydrophobic pores. At the relatively small pore diameters studied here, the hydrophobic pores are empty rather than filled with bulk water, suggesting that they do not compromise the barrier function of ceramide membranes. A phenomenological analysis suggests that these vapor pores are stable, below a critical radius, because the penalty of creating water-vapor and tail-vapor interfaces is lower than that of directly exposing the strongly hydrophobic tails to water. The PMCF free energy profile of the vapor pore supports this analysis. The simulations indicate that high DMSO concentrations drastically impair the barrier function of the skin by strongly reducing the free energy required for pore opening.

Simulations of Skin Barrier Function: Free Energies of Hydrophobic and Hydrophilic Transmembrane Pores in Ceramide Bilayers

PubMed Central

Notman, Rebecca; Anwar, Jamshed; Briels, W. J.; Noro, Massimo G.; den Otter, Wouter K.

2008-01-01

Transmembrane pore formation is central to many biological processes such as ion transport, cell fusion, and viral infection. Furthermore, pore formation in the ceramide bilayers of the stratum corneum may be an important mechanism by which penetration enhancers such as dimethylsulfoxide (DMSO) weaken the barrier function of the skin. We have used the potential of mean constraint force (PMCF) method to calculate the free energy of pore formation in ceramide bilayers in both the innate gel phase and in the DMSO-induced fluidized state. Our simulations show that the fluid phase bilayers form archetypal water-filled hydrophilic pores similar to those observed in phospholipid bilayers. In contrast, the rigid gel-phase bilayers develop hydrophobic pores. At the relatively small pore diameters studied here, the hydrophobic pores are empty rather than filled with bulk water, suggesting that they do not compromise the barrier function of ceramide membranes. A phenomenological analysis suggests that these vapor pores are stable, below a critical radius, because the penalty of creating water-vapor and tail-vapor interfaces is lower than that of directly exposing the strongly hydrophobic tails to water. The PMCF free energy profile of the vapor pore supports this analysis. The simulations indicate that high DMSO concentrations drastically impair the barrier function of the skin by strongly reducing the free energy required for pore opening. PMID:18708461

Metalorganic vapor phase epitaxy of AlN on sapphire with low etch pit density

NASA Astrophysics Data System (ADS)

Koleske, D. D.; Figiel, J. J.; Alliman, D. L.; Gunning, B. P.; Kempisty, J. M.; Creighton, J. R.; Mishima, A.; Ikenaga, K.

2017-06-01

Using metalorganic vapor phase epitaxy, methods were developed to achieve AlN films on sapphire with low etch pit density (EPD). Key to this achievement was using the same AlN growth recipe and only varying the pre-growth conditioning of the quartz-ware. After AlN growth, the quartz-ware was removed from the growth chamber and either exposed to room air or moved into the N2 purged glove box and exposed to H2O vapor. After the quartz-ware was exposed to room air or H2O, the AlN film growth was found to be more reproducible, resulting in films with (0002) and (10-12) x-ray diffraction (XRD) rocking curve linewidths of 200 and 500 arc sec, respectively, and EPDs < 100 cm-2. The EPD was found to correlate with (0002) linewidths, suggesting that the etch pits are associated with open core screw dislocations similar to GaN films. Once reproducible AlN conditions were established using the H2O pre-treatment, it was found that even small doses of trimethylaluminum (TMAl)/NH3 on the quartz-ware surfaces generated AlN films with higher EPDs. The presence of these residual TMAl/NH3-derived coatings in metalorganic vapor phase epitaxy (MOVPE) systems and their impact on the sapphire surface during heating might explain why reproducible growth of AlN on sapphire is difficult.

The interaction of evaporative and convective instabilities

NASA Astrophysics Data System (ADS)

Ozen, O.

Evaporative convection arises in a variety of natural and industrial processes, such as drying of lakebeds, heat pipe technology and dry-eye syndrome. The phenomenon of evaporative convection leads to an interfacial instability where an erstwhile flat surface becomes undulated as a control variable, such as temperature drop, exceeds a critical value. This instability has been investigated by others assuming that the vapor phase is infinitely deep and passive, i.e. vapor fluid dynamics has been ignored. However, when we look at some engineering processes, such as distillation columns, heat pipes and drying technologies where phase change takes place we might imagine that the assumption of an infinitely deep vapor layer or at least that of a passive vapor is inappropriate. Previous work on convection in bilayer systems with no phase-change suggests that active vapor layers play a major role in determining the stability of an interface. Hence, for the case of convection with phase-change, we will address this issue and try to answer the question whether the infinitely deep and passive vapor layer is a valid assumption. We have also investigated, theoretically, the gravity and surface tension gradient-driven instabilities occurring during the evaporation of a liquid into its own vapor taking into account the fluid dynamics of both phases and the finiteness of the domains of each phase, i.e. the liquid and its vapor are assumed to be confined between two horizontal plates, and different heating arrangements are applied. The effects of fluid layer depths, the evaporation rate and the temperature gradient applied across the fluids on the stability of the interface are studied. The modes of the flow pattern are determined for each scenario. The physics of the instability are explained and a comparison is made with the results of similar, yet physically different problems.

Analysis of pulsating spray flames propagating in lean two-phase mixtures with unity Lewis number

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

Nicoli, C.; Haldenwang, P.; Suard, S.

2005-11-01

Pulsating (or oscillatory) spray flames have recently been observed in experiments on two-phase combustion. Numerical studies have pointed out that such front oscillations can be obtained even with very simple models of homogeneous two-phase mixtures, including elementary vaporization schemes. The paper presents an analytical approach within the simple framework of the thermal-diffusive model, which is complemented by a vaporization rate independent of gas temperature, as soon as the latter reaches a certain thermal threshold ({theta}{sub v} in reduced form). The study involves the Damkoehler number (Da), the ratio of chemical reaction rate to vaporization rate, and the Zeldovich number (Ze)more » as essential parameters. We use the standard asymptotic method based on matched expansions in terms of 1/Ze. Linear analysis of two-phase flame stability is performed by studying, in the absence of differential diffusive effects (unity Lewis number), the linear growth rate of 2-D perturbations added to steady plane solutions and characterized by wavenumber k in the direction transverse to spreading. A domain of existence is found for the pulsating regime. It corresponds to mixture characteristics often met in air-fuel two-phase systems: low boiling temperature ({theta}{sub v} << 1), reaction rate not higher than vaporization rate (Da < 1, i.e., small droplets), and activation temperature assumed to be high compared with flame temperature (Ze {>=} 10). Satisfactory comparison with numerical simulations confirms the validity of the analytical approach; in particular, positive growth rates have been found for planar perturbations (k = 0) and for wrinkled fronts (k {ne} 0). Finally, comparison between predicted frequencies and experimental measurements is discussed.« less

Vapor-phase infrared spectroscopy on solid organic compounds with a pulsed resonant photoacoustic detection scheme

NASA Astrophysics Data System (ADS)

Bartlome, Richard; Fischer, Cornelia; Sigrist, Markus W.

2005-08-01

There is a great need for a low cost and sensitive method to measure infrared spectra of solid organic compounds in the gas phase. To record such spectra, we propose an optical parametric generator-based photoacoustic spectrometer, which emits in the mid-infrared fingerprint region between 3 and 4 microns. In this system, the sample is heated in a vessel before entering a home built photoacoustic cell, where the gaseous molecules are excited by a tunable laser source with a frequency repetition rate that matches the first longitudinal resonance frequency of the photocaoustic cell. In a first phase, we have focused on low-melting point stimulants such as Nikethamide, Mephentermine sulfate, Methylephedrine, Ephedrine and Pseudoephedrine. The vapor-phase spectra of these doping substances were measured between 2800 and 3100 cm-1, where fundamental C-H stretching vibrations take place. Our spectra show notable differences with commercially available condensed phase spectra. Our scheme enables to measure very low vapor pressures of low-melting point (<160 °C) solid organic compounds. Furthermore, the optical resolution of 8 cm-1 is good enough to distinguish closely related chemical structures such as the Ephedra alkaloids Ephedrine and Methylephedrine, but doesn't allow to differentiate diastereoisomeric pairs such as Ephedrine and Pseudoephedrine, two important neurotransmitters which reveal different biological activities. Therefore, higher resolution and a system capable of measuring organic compounds with higher melting points are required.

Orbitals for classical arbitrary anisotropic colloidal potentials

NASA Astrophysics Data System (ADS)

Girard, Martin; Nguyen, Trung Dac; de la Cruz, Monica Olvera

2017-11-01

Coarse-grained potentials are ubiquitous in mesoscale simulations. While various methods to compute effective interactions for spherically symmetric particles exist, anisotropic interactions are seldom used, due to their complexity. Here we describe a general formulation, based on a spatial decomposition of the density fields around the particles, akin to atomic orbitals. We show that anisotropic potentials can be efficiently computed in numerical simulations using Fourier-based methods. We validate the field formulation and characterize its computational efficiency with a system of colloids that have Gaussian surface charge distributions. We also investigate the phase behavior of charged Janus colloids immersed in screened media, with screening lengths comparable to the colloid size. The system shows rich behaviors, exhibiting vapor, liquid, gel, and crystalline morphologies, depending on temperature and screening length. The crystalline phase only appears for symmetric Janus particles. For very short screening lengths, the system undergoes a direct transition from a vapor to a crystal on cooling; while, for longer screening lengths, a vapor-liquid-crystal transition is observed. The proposed formulation can be extended to model force fields that are time or orientation dependent, such as those in systems of polymer-grafted particles and magnetic colloids.

Optimization of the freezing process for hematopoietic progenitor cells: effect of precooling, initial dimethyl sulfoxide concentration, freezing program, and storage in vapor-phase or liquid nitrogen on in vitro white blood cell quality.

PubMed

Dijkstra-Tiekstra, Margriet J; Setroikromo, Airies C; Kraan, Marcha; Gkoumassi, Effimia; de Wildt-Eggen, Janny

2014-12-01

Adding dimethyl sulfoxide (DMSO) to hematopoietic progenitor cells (HPCs) causes an exothermic reaction, potentially affecting their viability. The freezing method might also influence this. The aim was to investigate the effect of 1) precooling of DMSO and plasma (D/P) and white blood cell (WBC)-enriched product, 2) DMSO concentration of D/P, 3) freezing program, and 4) storage method on WBC quality. WBC-enriched product without CD34+ cells was used instead of HPCs. This was divided into six or eight portions. D/P (20 or 50%; precooled or room temperature [RT]) was added to the WBC-enriched product (precooled or RT), resulting in 10% DMSO, while monitoring temperature. The product was frozen using controlled-rate freezing ("fast-rate" or "slow-rate") and placed in vapor-phase or liquid nitrogen. After thawing, WBC recovery and viability were determined. Temperature increased most for precooled D/P to precooled WBC-enriched product, without influence of 20 or 50% D/P, but remained for all variations below 30°C. WBC recovery for both freezing programs was more than 95%. Recovery of WBC viability was higher for slow-rate freezing compared to fast-rate freezing (74% vs. 61%; p < 0.05) and also for 50% compared to 20% D/P (two test variations). Effect of precooling D/P or WBC-enriched product and of storage in vapor-phase or liquid nitrogen was marginal. Based on these results, precooling is not necessary. Fifty percent D/P is preferred over 20% D/P. Slow-rate freezing is preferred over fast-rate freezing. For safety reasons storage in vapor-phase nitrogen is preferred over storage in liquid nitrogen. Additional testing using real HPCs might be necessary. © 2014 AABB.

Above-Cloud Precipitable Water Retrievals using the MODIS 0.94 micron Band with Applications for Multi-Layer Cloud Detection

NASA Technical Reports Server (NTRS)

Platnick, S.; Wind, G.

2004-01-01

In order to perform satellite retrievals of cloud properties, it is important to account for the effect of the above-cloud atmosphere on the observations. The solar bands used in the operational MODIS Terra and Aqua cloud optical and microphysical algorithms (visible, NIR, and SWIR spectral windows) are primarily affected by water vapor, and to a lesser extent by well-mixed gases. For water vapor, the above-cloud column amount, or precipitable water, provides adequate information for an atmospheric correction; details of the vertical vapor distribution are not typically necessary for the level of correction required. Cloud-top pressure has a secondary effect due to pressure broadening influences. For well- mixed gases, cloud-top pressure is also required for estimates of above-cloud abundances. We present a method for obtaining above-cloud precipitable water over dark Ocean surfaces using the MODIS 0.94 pm vapor absorption band. The retrieval includes an iterative procedure for establishing cloud-top temperature and pressure, and is useful for both single layer water and ice clouds. Knowledge of cloud thermodynamic phase is fundamental in retrieving cloud optical and microphysical properties. However, in cases of optically thin cirrus overlapping lower water clouds, the concept of a single unique phase is ill- defined and depends, at least, on the spectral region of interest. We will present a method for multi-layer and multi-phase cloud detection which uses above-cloud precipitable water retrievals along with several existing MODIS operational cloud products (cloud-top pressure derived from a C02 slicing algorithm, IR and SWIR phase retrievals). Results are catagorized by whether the radiative signature in the MODIS solar bands is primarily that of a water cloud with ice cloud contamination, or visa-versa. Examples in polar and mid-latitude regions will be shown.

A novel method for the synthesis of zirconia powder

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

Bohe, A.E.; Pasquevich, D.M.

A novel method for the synthesis of zirconia powder is presented in this paper. The formation of fine particles of zirconia takes place when metallic zirconium and hematite are heated in the presence of gaseous chlorine. The overall process, which can be described by the following reaction: 3 Zr(s) + 2 Fe{sub 2}O{sub 3}(s) {r_arrow} 3 ZrO{sub 2}(s) + 4 Fe(s), occurs by a mass-transport mechanism through the vapor phase between 723 and 1223 K. The vapor-mass transport among the solid species takes place by means of zirconium and iron chlorides. The fundamentals of synthesis are discussed on the basismore » of a detailed thermodynamic analysis of reactions involved in the process, as well as by a characterization of the solid phases formed at various temperatures at XRD and SEM examinations.« less

Development of a High-Resolution Laser Absorption Spectroscopy Method with Application to the Determination of Absolute Concentration of Gaseous Elemental Mercury in Air.

PubMed

Srivastava, Abneesh; Hodges, Joseph T

2018-06-05

Isotope dilution-cold-vapor-inductively coupled plasma mass spectrometry (ID-CV-ICPMS) has become the primary standard for measurement of gaseous elemental mercury (GEM) mass concentration. However, quantitative mass spectrometry is challenging for several reasons including (1) the need for isotopic spiking with a standard reference material, (2) the requirement for bias-free passive sampling protocols, (3) the need for stable mass spectrometry interface design, and (4) the time and cost involved for gas sampling, sample processing, and instrument calibration. Here, we introduce a high-resolution laser absorption spectroscopy method that eliminates the need for sample-specific calibration standards or detailed analysis of sample treatment losses. This technique involves a tunable, single-frequency laser absorption spectrometer that measures isotopically resolved spectra of elemental mercury (Hg) spectra of 6 1 S 0 ← 6 3 P 1 intercombination transition near λ = 253.7 nm. Measured spectra are accurately modeled from first-principles using the Beer-Lambert law and Voigt line profiles combined with literature values for line positions, line shape parameters, and the spontaneous emission Einstein coefficient to obtain GEM mass concentration values. We present application of this method for the measurement of the equilibrium concentration of mercury vapor near room temperature. Three closed systems are considered: two-phase mixtures of liquid Hg and its vapor and binary two-phase mixtures of Hg-air and Hg-N 2 near atmospheric pressure. Within the experimental relative standard uncertainty, 0.9-1.5% congruent values of the equilibrium Hg vapor concentration are obtained for the Hg-only, Hg-air, Hg-N 2 systems, in confirmation with thermodynamic predictions. We also discuss detection limits and the potential of the present technique to serve as an absolute primary standard for measurements of gas-phase mercury concentration and isotopic composition.

Single-reactor process for producing liquid-phase organic compounds from biomass

DOEpatents

Dumesic, James A.; Simonetti, Dante A.; Kunkes, Edward L.

2015-12-08

Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

Single-reactor process for producing liquid-phase organic compounds from biomass

DOEpatents

Dumesic, James A [Verona, WI; Simonetti, Dante A [Middleton, WI; Kunkes, Edward L [Madison, WI

2011-12-13

Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

A comparative assessment of cigarette smoke aerosols using an in vitro air–liquid interface cytotoxicity test

PubMed Central

Thorne, David; Dalrymple, Annette; Dillon, Deborah; Duke, Martin; Meredith, Clive

2015-01-01

Abstract This study describes the evaluation of a modified air-liquid interface BALB/c 3T3 cytotoxicity method for the assessment of smoke aerosols in vitro. The functionality and applicability of this modified protocol was assessed by comparing the cytotoxicity profiles from eight different cigarettes. Three reference cigarettes, 1R5F, 3R4F and CORESTA Monitor 7 were used to put the data into perspective and five bespoke experimental products were manufactured, ensuring a balanced and controlled study. Manufactured cigarettes were matched for key variables such as nicotine delivery, puff number, pressure drop, ventilation, carbon monoxide, nicotine free dry particulate matter and blend, but significantly modified for vapor phase delivery, via the addition of two different types and quantities of adsorptive carbon. Specifically manufacturing products ensures comparisons can be made in a consistent manner and allows the research to ask targeted questions, without confounding product variables. The results demonstrate vapor-phase associated cytotoxic effects and clear differences between the products tested and their cytotoxic profiles. This study has further characterized the in vitro vapor phase biological response relationship and confirmed that the biological response is directly proportional to the amount of available vapor phase toxicants in cigarette smoke, when using a Vitrocell® VC 10 exposure system. This study further supports and strengthens the use of aerosol based exposure options for the appropriate analysis of cigarette smoke induced responses in vitro and may be especially beneficial when comparing aerosols generated from alternative tobacco aerosol products. PMID:26339773

Mass and heat transfer between evaporation and condensation surfaces: Atomistic simulation and solution of Boltzmann kinetic equation.

PubMed

Zhakhovsky, Vasily V; Kryukov, Alexei P; Levashov, Vladimir Yu; Shishkova, Irina N; Anisimov, Sergey I

2018-04-16

Boundary conditions required for numerical solution of the Boltzmann kinetic equation (BKE) for mass/heat transfer between evaporation and condensation surfaces are analyzed by comparison of BKE results with molecular dynamics (MD) simulations. Lennard-Jones potential with parameters corresponding to solid argon is used to simulate evaporation from the hot side, nonequilibrium vapor flow with a Knudsen number of about 0.02, and condensation on the cold side of the condensed phase. The equilibrium density of vapor obtained in MD simulation of phase coexistence is used in BKE calculations for consistency of BKE results with MD data. The collision cross-section is also adjusted to provide a thermal flux in vapor identical to that in MD. Our MD simulations of evaporation toward a nonreflective absorbing boundary show that the velocity distribution function (VDF) of evaporated atoms has the nearly semi-Maxwellian shape because the binding energy of atoms evaporated from the interphase layer between bulk phase and vapor is much smaller than the cohesive energy in the condensed phase. Indeed, the calculated temperature and density profiles within the interphase layer indicate that the averaged kinetic energy of atoms remains near-constant with decreasing density almost until the interphase edge. Using consistent BKE and MD methods, the profiles of gas density, mass velocity, and temperatures together with VDFs in a gap of many mean free paths between the evaporation and condensation surfaces are obtained and compared. We demonstrate that the best fit of BKE results with MD simulations can be achieved with the evaporation and condensation coefficients both close to unity.

Modeling thermal inkjet and cell printing process using modified pseudopotential and thermal lattice Boltzmann methods.

PubMed

Sohrabi, Salman; Liu, Yaling

2018-03-01

Pseudopotential lattice Boltzmann methods (LBMs) can simulate a phase transition in high-density ratio multiphase flow systems. If coupled with thermal LBMs through equation of state, they can be used to study instantaneous phase transition phenomena with a high-temperature gradient where only one set of formulations in an LBM system can handle liquid, vapor, phase transition, and heat transport. However, at lower temperatures an unrealistic spurious current at the interface introduces instability and limits its application in real flow system. In this study, we proposed new modifications to the LBM system to minimize a spurious current which enables us to study nucleation dynamic at room temperature. To demonstrate the capabilities of this approach, the thermal ejection process is modeled as one example of a complex flow system. In an inkjet printer, a thermal pulse instantly heats up the liquid in a microfluidic chamber and nucleates bubble vapor providing the pressure pulse necessary to eject droplets at high speed. Our modified method can present a more realistic model of the explosive vaporization process since it can also capture a high-temperature/density gradient at nucleation region. Thermal inkjet technology has been successfully applied for printing cells, but cells are susceptible to mechanical damage or death as they squeeze out of the nozzle head. To study cell deformation, a spring network model, representing cells, is connected to the LBM through the immersed boundary method. Looking into strain and stress distribution of a cell membrane at its most deformed state, it is found that a high stretching rate effectively increases the rupture tension. In other words, membrane deformation energy is released through creation of multiple smaller nanopores rather than big pores. Overall, concurrently simulating multiphase flow, phase transition, heat transfer, and cell deformation in one unified LB platform, we are able to provide a better insight into the bubble dynamic and cell mechanical damage during the printing process.

Modeling thermal inkjet and cell printing process using modified pseudopotential and thermal lattice Boltzmann methods

NASA Astrophysics Data System (ADS)

Sohrabi, Salman; Liu, Yaling

2018-03-01

Pseudopotential lattice Boltzmann methods (LBMs) can simulate a phase transition in high-density ratio multiphase flow systems. If coupled with thermal LBMs through equation of state, they can be used to study instantaneous phase transition phenomena with a high-temperature gradient where only one set of formulations in an LBM system can handle liquid, vapor, phase transition, and heat transport. However, at lower temperatures an unrealistic spurious current at the interface introduces instability and limits its application in real flow system. In this study, we proposed new modifications to the LBM system to minimize a spurious current which enables us to study nucleation dynamic at room temperature. To demonstrate the capabilities of this approach, the thermal ejection process is modeled as one example of a complex flow system. In an inkjet printer, a thermal pulse instantly heats up the liquid in a microfluidic chamber and nucleates bubble vapor providing the pressure pulse necessary to eject droplets at high speed. Our modified method can present a more realistic model of the explosive vaporization process since it can also capture a high-temperature/density gradient at nucleation region. Thermal inkjet technology has been successfully applied for printing cells, but cells are susceptible to mechanical damage or death as they squeeze out of the nozzle head. To study cell deformation, a spring network model, representing cells, is connected to the LBM through the immersed boundary method. Looking into strain and stress distribution of a cell membrane at its most deformed state, it is found that a high stretching rate effectively increases the rupture tension. In other words, membrane deformation energy is released through creation of multiple smaller nanopores rather than big pores. Overall, concurrently simulating multiphase flow, phase transition, heat transfer, and cell deformation in one unified LB platform, we are able to provide a better insight into the bubble dynamic and cell mechanical damage during the printing process.

Vapor Phase Deposition Using Plasma Spray-PVD™

NASA Astrophysics Data System (ADS)

von Niessen, K.; Gindrat, M.; Refke, A.

2010-01-01

Plasma spray—physical vapor deposition (PS-PVD) is a low pressure plasma spray technology to deposit coatings out of the vapor phase. PS-PVD is a part of the family of new hybrid processes recently developed by Sulzer Metco AG (Switzerland) on the basis of the well-established low pressure plasma spraying (LPPS) technology. Included in this new process family are plasma spray—chemical vapor deposition (PS-CVD) and plasma spray—thin film (PS-TF) processes. In comparison to conventional vacuum plasma spraying and LPPS, these new processes use a high energy plasma gun operated at a work pressure below 2 mbar. This leads to unconventional plasma jet characteristics which can be used to obtain specific and unique coatings. An important new feature of PS-PVD is the possibility to deposit a coating not only by melting the feed stock material which builds up a layer from liquid splats, but also by vaporizing the injected material. Therefore, the PS-PVD process fills the gap between the conventional PVD technologies and standard thermal spray processes. The possibility to vaporize feedstock material and to produce layers out of the vapor phase results in new and unique coating microstructures. The properties of such coatings are superior to those of thermal spray and EB-PVD coatings. This paper reports on the progress made at Sulzer Metco to develop functional coatings build up from vapor phase of oxide ceramics and metals.

Initiated Chemical Vapor Deposition (iCVD) of Highly Cross-Linked Polymer Films for Advanced Lithium-Ion Battery Separators.

PubMed

Yoo, Youngmin; Kim, Byung Gon; Pak, Kwanyong; Han, Sung Jae; Song, Heon-Sik; Choi, Jang Wook; Im, Sung Gap

2015-08-26

We report an initiated chemical vapor deposition (iCVD) process to coat polyethylene (PE) separators in Li-ion batteries with a highly cross-linked, mechanically strong polymer, namely, polyhexavinyldisiloxane (pHVDS). The highly cross-linked but ultrathin pHVDS films can only be obtained by a vapor-phase process, because the pHVDS is insoluble in most solvents and thus infeasible with conventional solution-based methods. Moreover, even after the pHVDS coating, the initial porous structure of the separator is well preserved owing to the conformal vapor-phase deposition. The coating thickness is delicately controlled by deposition time to the level that the pore size decreases to below 7% compared to the original dimension. The pHVDS-coated PE shows substantially improved thermal stability and electrolyte wettability. After incubation at 140 °C for 30 min, the pHVDS-coated PE causes only a 12% areal shrinkage (versus 90% of the pristine separator). The superior wettability results in increased electrolyte uptake and ionic conductivity, leading to significantly improved rate performance. The current approach is applicable to a wide range of porous polymeric separators that suffer from thermal shrinkage and poor electrolyte wetting.

Numerical simulation and experimental validation of the dynamics of multiple bubble merger during pool boiling under microgravity conditions.

PubMed

Abarajith, H S; Dhir, V K; Warrier, G; Son, G

2004-11-01

Numerical simulation and experimental validation of the growth and departure of multiple merging bubbles and associated heat transfer on a horizontal heated surface during pool boiling under variable gravity conditions have been performed. A finite difference scheme is used to solve the equations governing mass, momentum, and energy in the vapor liquid phases. The vapor-liquid interface is captured by a level set method that is modified to include the influence of phase change at the liquid-vapor interface. Water is used as test liquid. The effects of reduced gravity condition and orientation of the bubbles on the bubble diameter, interfacial structure, bubble merger time, and departure time, as well as local heat fluxes, are studied. In the experiments, multiple vapor bubbles are produced on artificial cavities in the 2-10 micrometer diameter range, microfabricated on the polished silicon wafer with given spacing. The wafer was heated electrically from the back with miniature strain gage type heating elements in order to control the nucleation superheat. The experiments conducted in normal Earth gravity and in the low gravity environment of KC-135 aircraft are used to validate the numerical simulations.

The effect of heated vapor-phase acidification on organic carbon concentrations and isotopic values in geologic rock samples

NASA Astrophysics Data System (ADS)

Wang, R. Z.; West, A. J.; Yager, J. A.; Rollins, N.; Li, G.; Berelson, W.

2016-12-01

Carbon signatures recorded in the modern and geologic rock record can give insight on the Earth's carbon cycle through time. This is especially true for organic carbon (OC), which can help us understand how the biosphere has evolved over Earth's history. However, carbon recorded in rocks is a combination of OC and inorganic carbon (IC) mostly in the form of carbonate minerals. To measure OC, IC must therefore first be removed through a process called "decarbonation." This is often done through a leaching process with hydrochloric acid (HCl). However, three well known problems exist for the decarbonation process: 1) Incomplete removal of IC, 2) Unintentional removal of OC, and 3) Addition of false carbon blank. Currently, vapor (gas) phase removal of OC is preferred to liquid phase treatment because it has been shown that OC is lost to solubilization during liquid phase acidification. Vapor phase treatment is largely thought to avoid the problem of OC loss, but this has not yet been rigorously investigated. This study investigates that assumption and shows that vapor phase treatment can cause unintentional OC loss. We show that vapor phase treatment must be sensitive to rock type and treatment length to produce robust OC isotopic measurements and concentrations.

The Heat and Mass Transfer Processes at the Cooling of Strong Heated Sphere in a Cold Liquid

NASA Astrophysics Data System (ADS)

Puzina, Yu Yu

2017-10-01

Some new experimental results of continuum mechanics problems in two-phase systems are described. The processes of heat and mass transfer during cooling of strong heated sphere in the subcooled liquid are studied. Due to high level of heater temperature the stable vapor film is formed on the sphere surface. Calculation of steady-state transport processes at vapor - water interface is carried out using methods of molecular-kinetic theory. Heat transfer in vapor by thermal conductivity and natural convection in liquid are considered. Pressure balance is provided by hydrostatic pressure and non-equilibrium boundary condition. The results of the calculations are analyzed by comparison with previous data and experimental results.

Preliminary evaluation of the role of K2S in MHD hot stream seed recovery

NASA Technical Reports Server (NTRS)

Bennett, J. E.; Kohl, F. J.

1979-01-01

Results are presented for recent analytical and experimental studies of the role of K2S in MHD hot stream seed recovery. The existing thermodynamic data base was found to contain large uncertainties and to be nonexistent for vapor phase K2S. Knudsen cell mass spectrometric experiments were undertaken to determine the vapor species in equilibrium with K2S(c). K atoms and S2 molecules ere found to be the major vapor phase species in vacuum, accounting for greater than 99 percent of the vapor phase. Combustion gas deposition studies using No. 2 Diesel fuel were also undertaken and revealed that condensed phase K2SO3 may potentially be an important compound in the MHD stream at near-stoichiometric combustion.

A Preliminary Study on the Vapor/Mist Phase Lubrication of a Spur Gearbox

NASA Technical Reports Server (NTRS)

Morales, Wilfredo; Handschuh, Robert F.

1999-01-01

Organophosphates have been the primary compounds used in vapor/mist phase lubrication studies involving ferrous bearing material. Experimental results have indicated that the initial formation of an iron phosphate film on a rubbing ferrous surface, followed by the growth (by cationic diffusion) of a lubricious pyrophosphate-type coating over the iron phosphate, is the reason organophosphates work well as vapor/mist phase lubricants. Recent work, however, has shown that this mechanism leads to the depletion of surface iron atoms and to eventual lubrication failure. A new organophosphate formulation was developed which circumvents surface iron depletion. This formulation was tested by generating an iron phosphate coating on an aluminum surface. The new formulation was then used to vapor/mist phase lubricate a spur gearbox in a preliminary study.

Temperature cycling vapor deposition HgI.sub.2 crystal growth

DOEpatents

Schieber, Michael M.; Beinglass, Israel; Dishon, Giora

1977-01-01

A method and horizontal furnace for vapor phase growth of HgI.sub.2 crystals which utilizes controlled axial and radial airflow to maintain the desired temperature gradients. The ampoule containing the source material is rotated while axial and radial air tubes are moved in opposite directions during crystal growth to maintain a desired distance and associated temperature gradient with respect to the growing crystal, whereby the crystal interface can advance in all directions, i.e., radial and axial according to the crystallographic structure of the crystal. Crystals grown by this method are particularly applicable for use as room-temperature nuclear radiation detectors.

Calculation of Five Thermodynamic Molecular Descriptors by Means of a General Computer Algorithm Based on the Group-Additivity Method: Standard Enthalpies of Vaporization, Sublimation and Solvation, and Entropy of Fusion of Ordinary Organic Molecules and Total Phase-Change Entropy of Liquid Crystals.

PubMed

Naef, Rudolf; Acree, William E

2017-06-25

The calculation of the standard enthalpies of vaporization, sublimation and solvation of organic molecules is presented using a common computer algorithm on the basis of a group-additivity method. The same algorithm is also shown to enable the calculation of their entropy of fusion as well as the total phase-change entropy of liquid crystals. The present method is based on the complete breakdown of the molecules into their constituting atoms and their immediate neighbourhood; the respective calculations of the contribution of the atomic groups by means of the Gauss-Seidel fitting method is based on experimental data collected from literature. The feasibility of the calculations for each of the mentioned descriptors was verified by means of a 10-fold cross-validation procedure proving the good to high quality of the predicted values for the three mentioned enthalpies and for the entropy of fusion, whereas the predictive quality for the total phase-change entropy of liquid crystals was poor. The goodness of fit ( Q ²) and the standard deviation (σ) of the cross-validation calculations for the five descriptors was as follows: 0.9641 and 4.56 kJ/mol ( N = 3386 test molecules) for the enthalpy of vaporization, 0.8657 and 11.39 kJ/mol ( N = 1791) for the enthalpy of sublimation, 0.9546 and 4.34 kJ/mol ( N = 373) for the enthalpy of solvation, 0.8727 and 17.93 J/mol/K ( N = 2637) for the entropy of fusion and 0.5804 and 32.79 J/mol/K ( N = 2643) for the total phase-change entropy of liquid crystals. The large discrepancy between the results of the two closely related entropies is discussed in detail. Molecules for which both the standard enthalpies of vaporization and sublimation were calculable, enabled the estimation of their standard enthalpy of fusion by simple subtraction of the former from the latter enthalpy. For 990 of them the experimental enthalpy-of-fusion values are also known, allowing their comparison with predictions, yielding a correlation coefficient R ² of 0.6066.

Determination of mercury distribution inside spent compact fluorescent lamps by atomic absorption spectrometry.

PubMed

Rey-Raap, Natalia; Gallardo, Antonio

2012-05-01

In this study, spent compact fluorescent lamps were characterized to determine the distribution of mercury. The procedure used in this research allowed mercury to be extracted in the vapor phase, from the phosphor powder, and the glass matrix. Mercury concentration in the three phases was determined by the method known as cold vapor atomic absorption spectrometry. Median values obtained in the study showed that a compact fluorescent lamp contained 24.52±0.4ppb of mercury in the vapor phase, 204.16±8.9ppb of mercury in the phosphor powder, and 18.74±0.5ppb of mercury in the glass matrix. There are differences in mercury concentration between the lamps since the year of manufacture or the hours of operation affect both mercury content and its distribution. The 85.76% of the mercury introduced into a compact fluorescent lamp becomes a component of the phosphor powder, while more than 13.66% is diffused through the glass matrix. By washing and eliminating all phosphor powder attached to the glass surface it is possible to classified the glass as a non-hazardous waste. Copyright © 2011 Elsevier Ltd. All rights reserved.

Microstructure Evolution and Composition Control During the Processing of Thin-Gage Metallic Foil

NASA Astrophysics Data System (ADS)

Semiatin, S. L.; Gross, M. E.; Matson, D. W.; Bennett, W. D.; Bonham, C. C.; Ustinov, A. I.; Ballard, D. L.

2012-12-01

The manufacture of thin-gage superalloy and gamma-titanium-aluminide foil products via near-conventional thermomechanical processing and two different vapor-deposition methods was investigated. Thermomechanical processing was based on hot-pack rolling of plate and sheet. Foils of the superalloy LSHR and the near-gamma titanium aluminide Ti-45.5Al-2Cr-2Nb made by this approach exhibited excellent gage control and fine two-phase microstructures. The vapor-phase techniques used magnetron sputtering (MS) of a target of the desired product composition or electron-beam physical vapor deposition (EBPVD) of separate targets of the specific alloying elements. Thin deposits of LSHR and Ti-48Al-2Cr-2Nb made by MS showed uniform thickness/composition and an ultrafine microstructure. However, systematic deviations from the specific target composition were found. During subsequent heat treatment, the microstructure of the MS samples showed various degrees of grain growth and coarsening. Foils of Ti-43Al and Ti-51Al-1V fabricated by EBPVD were fully dense. The microstructures developed during EBPVD were interpreted in terms of measured phase equilibria and the dependence of evaporant flux on temperature.

Alternate methods of applying diffusants to silicon solar cells. [screen printing of thick-film paste materials and vapor phase transport from solid sources

NASA Technical Reports Server (NTRS)

Brock, T. W.; Field, M. B.

1979-01-01

Low-melting phosphate and borate glasses were screen printed on silicon wafers and heated to form n and p junctions. Data on surface appearance, sheet resistance and junction depth are presented. Similar data are reported for vapor phase transport from sintered aluminum metaphosphate and boron-containing glass-ceramic solid sources. Simultaneous diffusion of an N(+) layer with screen-printed glass and a p(+) layer with screen-printed Al alloy paste was attempted. No p(+) back surface field formation was achieved. Some good cells were produced but the heating in an endless-belt furnace caused a large scatter in sheet resistance and junction depth for three separate lots of wafers.

Non-Ballistic Vapor-Driven Ejecta

NASA Technical Reports Server (NTRS)

Wrobel, K. E.; Schultz, P. H.; Heineck, J. T.

2004-01-01

Impact-induced vaporization is a key component of early-time cratering mechanics. Previous experimental [1,2] and computational [e.g., 3] studies focused on the generation and expansion of vapor clouds in an attempt to better understand vaporization in hypervelocity impacts. Presented here is a new experimental approach to the study of impact-induced vaporization. The three-dimensional particle image velocimetry (3D PIV) system captures interactions between expanding vapor phases and fine particulates. Particles ejected early in the cratering process may be entrained in expanding gas phases generated at impact, altering their otherwise ballistic path of flight. 3D PIV allows identifying the presence of such non-ballistic ejecta from very early times in the cratering process.

40 CFR 98.54 - Monitoring and QA/QC requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

... in paragraphs (b)(1) through (b)(3) of this section. (1) EPA Method 320, Measurement of Vapor Phase...) Direct measurement (such as using flow meters or weigh scales). (2) Existing plant procedures used for accounting purposes. (d) You must conduct all required performance tests according to the methods in § 98.54...

Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields.

PubMed

Samin, Sela; Tsori, Yoav; Holm, Christian

2013-05-01

We investigate the structure and phase behavior of the Stockmayer fluid in the presence of nonuniform electric fields using molecular simulation. We find that an initially homogeneous vapor phase undergoes a local phase separation in a nonuniform field due to the combined effect of the field gradient and the fluid vapor-liquid equilibrium. This results in a high-density fluid condensing in the strong field region. The system polarization exhibits a strong field dependence due to the fluid condensation.

A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

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

Fechter, Stefan, E-mail: stefan.fechter@iag.uni-stuttgart.de; Munz, Claus-Dieter, E-mail: munz@iag.uni-stuttgart.de; Rohde, Christian, E-mail: Christian.Rohde@mathematik.uni-stuttgart.de

The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevantmore » physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.« less

Water vapor radiometry research and development phase

NASA Technical Reports Server (NTRS)

Resch, G. M.; Chavez, M. C.; Yamane, N. L.; Barbier, K. M.; Chandlee, R. C.

1985-01-01

This report describes the research and development phase for eight dual-channel water vapor radiometers constructed for the Crustal Dynamics Project at the Goddard Space Flight Center, Greenbelt, Maryland, and for the NASA Deep Space Network. These instruments were developed to demonstrate that the variable path delay imposed on microwave radio transmissions by atmospheric water vapor can be calibrated, particularly as this phenomenon affects very long baseline interferometry measurement systems. Water vapor radiometry technology can also be used in systems that involve moist air meteorology and propagation studies.

Blast from pressurized carbon dioxide released into a vented atmospheric chamber

NASA Astrophysics Data System (ADS)

Hansen, P. M.; Gaathaug, A. V.; Bjerketvedt, D.; Vaagsaether, K.

2018-03-01

This study describes the blast from pressurized carbon dioxide (CO2) released from a high-pressure reservoir into an openly vented atmospheric chamber. Small-scale experiments with pure vapor and liquid/vapor mixtures were conducted and compared with simulations. A motivation was to investigate the effects of vent size and liquid content on the peak overpressure and impulse response in the atmospheric chamber. The comparison of vapor-phase CO2 test results with simulations showed good agreement. This numerical code described single-phase gas dynamics inside a closed chamber, but did not model any phase transitions. Hence, the simulations described a vapor-only test into an unvented chamber. Nevertheless, the simulations reproduced the incident shock wave, the shock reflections, and the jet release inside the atmospheric chamber. The rapid phase transition did not contribute to the initial shock strength in the current test geometry. The evaporation rate was too low to contribute to the measured peak overpressure that was in the range of 15-20 kPa. The simulation results produced a calculated peak overpressure of 12 kPa. The liquid tests showed a significantly higher impulse compared to tests with pure vapor. Reducing the vent opening from 0.1 to 0.01 m2 resulted in a slightly higher impulse calculated at 100 ms. The influence of the vent area on the calculated impulse was significant in the vapor-phase tests, but not so clear in the liquid/vapor mixture tests.

Tunable generation and adsorption of energetic compounds in the vapor phase at trace levels: a tool for testing and developing sensitive and selective substrates for explosive detection.

PubMed

Bonnot, Karine; Bernhardt, Pierre; Hassler, Dominique; Baras, Christian; Comet, Marc; Keller, Valérie; Spitzer, Denis

2010-04-15

Among various methods for landmine detection, as well as soil and water pollution monitoring, the detection of explosive compounds in air is becoming an important and inevitable challenge for homeland security applications, due to the threatening increase in terrorist explosive bombs used against civil populations. However, in the last case, there is a crucial need for the detection of vapor phase traces or subtraces (in the ppt range or even lower). A novel and innovative generator for explosive trace vapors was designed and developed. It allowed the generation of theoretical concentrations as low as 0.24 ppq for hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in air according to Clapeyron equations. The accurate generation of explosive concentrations at subppt levels was verified for RDX and 2,4,6-trinitrotoluene (TNT) using a gas chromatograph coupled to an electron capture detector (GC-ECD). First, sensing material experiments were conducted on a nanostructured tungsten oxide. The sensing efficiency of this material determined as its adsorption capacity toward 54 ppb RDX was calculated to be five times higher than the sensing efficiency of a 54 ppb TNT vapor. The material sensing efficiency showed no dependence on the mass of material used. The results showed that the device allowed the calibration and discrimination between materials for highly sensitive and accurate sensing detection in air of low vapor pressure explosives such as TNT or RDX at subppb levels. The designed device and method showed promising features for nanosensing applications in the field of ultratrace explosive detection. The current perspectives are to decrease the testing scale and the detection levels to ppt or subppt concentration of explosives in air.

Use of volatile organic components in scat to identify canid species

USGS Publications Warehouse

Burnham, E.; Bender, L.C.; Eiceman, G.A.; Pierce, K.M.; Prasad, S.

2008-01-01

Identification of wildlife species from indirect evidence can be an important part of wildlife management, and conventional +methods can be expensive or have high error rates. We used chemical characterization of the volatile organic constituents (VOCs) in scat as a method to identify 5 species of North American canids from multiple individuals. We sampled vapors of scats in the headspace over a sample using solid-phase microextraction and determined VOC content using gas chromatography with a flame ionization detector. We used linear discriminant analysis to develop models for differentiating species with bootstrapping to estimate accuracy. Our method correcdy classified 82.4% (bootstrapped 95% CI = 68.8-93.8%) of scat samples. Red fox (Vulpes vulpes) scat was most frequendy misclassified (25.0% of scats misclassified); red fox was also the most common destination for misclassified samples. Our findings are the first reported identification of animal species using VOCs in vapor emissions from scat and suggest that identification of wildlife species may be plausible through chemical characterization of vapor emissions of scat.

Conductometric Sensors for Detection of Elemental Mercury Vapor

NASA Technical Reports Server (NTRS)

Ryan, M. A.; Homer, M. L.; Shevade, A. V.; Lara, L. M.; Yen, S.-P. S.; Kisor, A. K.; Manatt, K. S.

2008-01-01

Several organic and inorganic materials have been tested for possible incorporation into a sensing array in order to add elemental mercury vapor to the suite of chemical species detected. Materials have included gold films, treated gold films, polymer-carbon composite films, gold-polymer-carbon composite films and palladium chloride sintered films. The toxicity of mercury and its adverse effect on human and animal health has made environmental monitoring of mercury in gas and liquid phases important (1,2). As consumer products which contain elemental mercury, such as fluorescent lighting, become more widespread, the need to monitor environments for the presence of vapor phase elemental mercury will increase. Sensors in use today to detect mercury in gaseous streams are generally based on amalgam formation with gold or other metals, including noble metals and aluminum. Recently, NASA has recognized a need to detect elemental mercury vapor in the breathing atmosphere of the crew cabin in spacecraft and has requested that such a capability be incorporated into the JPL Electronic Nose (3). The detection concentration target for this application is 10 parts-per-billion (ppb), or 0.08 mg/m3. In order to respond to the request to incorporate mercury sensing into the JPL Electronic Nose (ENose) platform, it was necessary to consider only conductometric methods of sensing, as any other transduction method would have required redesign of the platform. Any mercury detection technique which could not be incorporated into the existing platform, such as an electrochemical technique, could not be considered.

Scaling of Two-Phase Flows to Partial-Earth Gravity

NASA Technical Reports Server (NTRS)

Hurlbert, Kathryn M.; Witte, Larry C.

2003-01-01

A report presents a method of scaling, to partial-Earth gravity, of parameters that describe pressure drops and other characteristics of two-phase (liquid/ vapor) flows. The development of the method was prompted by the need for a means of designing two-phase flow systems to operate on the Moon and on Mars, using fluid-properties and flow data from terrestrial two-phase-flow experiments, thus eliminating the need for partial-gravity testing. The report presents an explicit procedure for designing an Earth-based test bed that can provide hydrodynamic similarity with two-phase fluids flowing in partial-gravity systems. The procedure does not require prior knowledge of the flow regime (i.e., the spatial orientation of the phases). The method also provides for determination of pressure drops in two-phase partial-gravity flows by use of a generalization of the classical Moody chart (previously applicable to single-phase flow only). The report presents experimental data from Mars- and Moon-activity experiments that appear to demonstrate the validity of this method.

A reference data set for validating vapor pressure measurement techniques: homologous series of polyethylene glycols

NASA Astrophysics Data System (ADS)

Krieger, Ulrich K.; Siegrist, Franziska; Marcolli, Claudia; Emanuelsson, Eva U.; Gøbel, Freya M.; Bilde, Merete; Marsh, Aleksandra; Reid, Jonathan P.; Huisman, Andrew J.; Riipinen, Ilona; Hyttinen, Noora; Myllys, Nanna; Kurtén, Theo; Bannan, Thomas; Percival, Carl J.; Topping, David

2018-01-01

To predict atmospheric partitioning of organic compounds between gas and aerosol particle phase based on explicit models for gas phase chemistry, saturation vapor pressures of the compounds need to be estimated. Estimation methods based on functional group contributions require training sets of compounds with well-established saturation vapor pressures. However, vapor pressures of semivolatile and low-volatility organic molecules at atmospheric temperatures reported in the literature often differ by several orders of magnitude between measurement techniques. These discrepancies exceed the stated uncertainty of each technique which is generally reported to be smaller than a factor of 2. At present, there is no general reference technique for measuring saturation vapor pressures of atmospherically relevant compounds with low vapor pressures at atmospheric temperatures. To address this problem, we measured vapor pressures with different techniques over a wide temperature range for intercomparison and to establish a reliable training set. We determined saturation vapor pressures for the homologous series of polyethylene glycols (H - (O - CH2 - CH2)n - OH) for n = 3 to n = 8 ranging in vapor pressure at 298 K from 10-7 to 5×10-2 Pa and compare them with quantum chemistry calculations. Such a homologous series provides a reference set that covers several orders of magnitude in saturation vapor pressure, allowing a critical assessment of the lower limits of detection of vapor pressures for the different techniques as well as permitting the identification of potential sources of systematic error. Also, internal consistency within the series allows outlying data to be rejected more easily. Most of the measured vapor pressures agreed within the stated uncertainty range. Deviations mostly occurred for vapor pressure values approaching the lower detection limit of a technique. The good agreement between the measurement techniques (some of which are sensitive to the mass accommodation coefficient and some not) suggests that the mass accommodation coefficients of the studied compounds are close to unity. The quantum chemistry calculations were about 1 order of magnitude higher than the measurements. We find that extrapolation of vapor pressures from elevated to atmospheric temperatures is permissible over a range of about 100 K for these compounds, suggesting that measurements should be performed best at temperatures yielding the highest-accuracy data, allowing subsequent extrapolation to atmospheric temperatures.

[Study on phase correction method of spatial heterodyne spectrometer].

PubMed

Wang, Xin-Qiang; Ye, Song; Zhang, Li-Juan; Xiong, Wei

2013-05-01

Phase distortion exists in collected interferogram because of a variety of measure reasons when spatial heterodyne spectrometers are used in practice. So an improved phase correction method is presented. The phase curve of interferogram was obtained through Fourier inverse transform to extract single side transform spectrum, based on which, the phase distortions were attained by fitting phase slope, so were the phase correction functions, and the convolution was processed between transform spectrum and phase correction function to implement spectrum phase correction. The method was applied to phase correction of actually measured monochromatic spectrum and emulational water vapor spectrum. Experimental results show that the low-frequency false signals in monochromatic spectrum fringe would be eliminated effectively to increase the periodicity and the symmetry of interferogram, in addition when the continuous spectrum imposed phase error was corrected, the standard deviation between it and the original spectrum would be reduced form 0.47 to 0.20, and thus the accuracy of spectrum could be improved.

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.

Deformability of adsorbents during adsorption and principles of the thermodynamics of solid-phase systems

NASA Astrophysics Data System (ADS)

Tovbin, Yu. K.

2017-09-01

A microscopic theory of adsorption, based on a discrete continuum lattice gas model for noninert (including deformable) adsorbents that change their lattice parameters during adsorption, is presented. Cases of the complete and partial equilibrium states of the adsorbent are considered. In the former, the adsorbent consists of coexisting solid and vapor phases of adsorbent components, and the adsorbate is a mobile component of the vapor phase with an arbitrary density (up to that of the liquid adsorbate phase). The adsorptive transitioning to the bound state changes the state of the near-surface region of the adsorbent. In the latter, there are no equilibrium components of the adsorbent between the solid and vapor phases. The adsorbent state is shown to be determined by its prehistory, rather than set by chemical potentials of vapor of its components. Relations between the microscopic theory and thermodynamic interpretations are discussed: (1) adsorption on an open surface, (2) two-dimensional stratification of the adsorbate mobile phase on an open homogeneous surface, (3) small microcrystals in vacuum and the gas phase, and (4) adsorption in porous systems.

The gaseous enthalpy of formation of the ionic liquid 1-butyl-3-methylimidazolium dicyanamide from combustion calorimetry, vapor pressure measurements, and ab initio calculations.

PubMed

Emel'yanenko, Vladimir N; Verevkin, Sergey P; Heintz, Andreas

2007-04-04

Ionic liquids are attracting growing interest as alternatives to conventional molecular solvents. Experimental values of vapor pressure, enthalpy of vaporization, and enthalpy of formation of ionic liquids are the key thermodynamic quantities, which are required for the validation and development of the molecular modeling and ab initio methods toward this new class of solvents. In this work, the molar enthalpy of formation of the liquid 1-butyl-3-methylimidazolium dicyanamide, 206.2 +/- 2.5 kJ.mol-1, was measured by means of combustion calorimetry. The molar enthalpy of vaporization of 1-butyl-3-methylimidazolium dicyanamide, 157.2 +/- 1.1 kJ.mol-1, was obtained from the temperature dependence of the vapor pressure measured using the transpiration method. The latter method has been checked with measurements of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide, where data are available from the effusion technique. The first experimental determination of the gaseous enthalpy of formation of the ionic liquid 1-butyl-3-methylimidazolium dicyanamide, 363.4 +/- 2.7 kJ.mol-1, from thermochemical measurements (combustion and transpiration) is presented. Ab initio calculations of the enthalpy of formation in the gaseous phase have been performed for 1-butyl-3-methylimidazolium dicyanamide using the G3MP2 theory. Excellent agreement with experimental results has been observed. The method developed opens a new way to obtain thermodynamic properties of ionic liquids which have not been available so far.

Flexible, Low-Power Thin-Film Transistors Made of Vapor-Phase Synthesized High-k, Ultrathin Polymer Gate Dielectrics.

PubMed

Choi, Junhwan; Joo, Munkyu; Seong, Hyejeong; Pak, Kwanyong; Park, Hongkeun; Park, Chan Woo; Im, Sung Gap

2017-06-21

A series of high-k, ultrathin copolymer gate dielectrics were synthesized from 2-cyanoethyl acrylate (CEA) and di(ethylene glycol) divinyl ether (DEGDVE) monomers by a free radical polymerization via a one-step, vapor-phase, initiated chemical vapor deposition (iCVD) method. The chemical composition of the copolymers was systematically optimized by tuning the input ratio of the vaporized CEA and DEGDVE monomers to achieve a high dielectric constant (k) as well as excellent dielectric strength. Interestingly, DEGDVE was nonhomopolymerizable but it was able to form a copolymer with other kinds of monomers. Utilizing this interesting property of the DEGDVE cross-linker, the dielectric constant of the copolymer film could be maximized with minimum incorporation of the cross-linker moiety. To our knowledge, this is the first report on the synthesis of a cyanide-containing polymer in the vapor phase, where a high-purity polymer film with a maximized dielectric constant was achieved. The dielectric film with the optimized composition showed a dielectric constant greater than 6 and extremely low leakage current densities (<3 × 10 -8 A/cm 2 in the range of ±2 MV/cm), with a thickness of only 20 nm, which is an outstanding thickness for down-scalable cyanide polymer dielectrics. With this high-k dielectric layer, organic thin-film transistors (OTFTs) and oxide TFTs were fabricated, which showed hysteresis-free transfer characteristics with an operating voltage of less than 3 V. Furthermore, the flexible OTFTs retained their low gate leakage current and ideal TFT characteristics even under 2% applied tensile strain, which makes them some of the most flexible OTFTs reported to date. We believe that these ultrathin, high-k organic dielectric films with excellent mechanical flexibility will play a crucial role in future soft electronics.

Real-Time Optical Monitoring and Simulations of Gas Phase Kinetics in InN Vapor Phase Epitaxy at High Pressure

NASA Technical Reports Server (NTRS)

Dietz, Nikolaus; Woods, Vincent; McCall, Sonya D.; Bachmann, Klaus J.

2003-01-01

Understanding the kinetics of nucleation and coalescence of heteroepitaxial thin films is a crucial step in controlling a chemical vapor deposition process, since it defines the perfection of the heteroepitaxial film both in terms of extended defect formation and chemical integrity of the interface. The initial nucleation process also defines the film quality during the later stages of film growth. The growth of emerging new materials heterostructures such as InN or In-rich Ga(x)In(1-x)N require deposition methods operating at higher vapor densities due to the high thermal decomposition pressure in these materials. High nitrogen pressure has been demonstrated to suppress thermal decomposition of InN, but has not been applied yet in chemical vapor deposition or etching experiments. Because of the difficulty with maintaining stochiometry at elevated temperature, current knowledge regarding thermodynamic data for InN, e.g., its melting point, temperature-dependent heat capacity, heat and entropy of formation are known with far less accuracy than for InP, InAs and InSb. Also, no information exists regarding the partial pressures of nitrogen and phosphorus along the liquidus surfaces of mixed-anion alloys of InN, of which the InN(x)P(1-x) system is the most interesting option. A miscibility gap is expected for InN(x)P(1-x) pseudobinary solidus compositions, but its extent is not established at this point by experimental studies under near equilibrium conditions. The extension of chemical vapor deposition to elevated pressure is also necessary for retaining stoichiometric single phase surface composition for materials that are characterized by large thermal decomposition pressures at optimum processing temperatures.

Development of Vapor-Phase Catalytic Ammonia Removal System

NASA Technical Reports Server (NTRS)

Flynn, Michael; Fisher, John; Kiss, Mark; Borchers, Bruce; Tleimat, Badawi; Tleimat, Maher; Quinn, Gregory; Fort, James; Nalette, Tim; Baker, Gale;

Experimental study of flash boiling spray vaporization through quantitative vapor concentration and liquid temperature measurements

NASA Astrophysics Data System (ADS)

Zhang, Gaoming; Hung, David L. S.; Xu, Min

2014-08-01

Flash boiling sprays of liquid injection under superheated conditions provide the novel solutions of fast vaporization and better air-fuel mixture formation for internal combustion engines. However, the physical mechanisms of flash boiling spray vaporization are more complicated than the droplet surface vaporization due to the unique bubble generation and boiling process inside a superheated bulk liquid, which are not well understood. In this study, the vaporization of flash boiling sprays was investigated experimentally through the quantitative measurements of vapor concentration and liquid temperature. Specifically, the laser-induced exciplex fluorescence technique was applied to distinguish the liquid and vapor distributions. Quantitative vapor concentration was obtained by correlating the intensity of vapor-phase fluorescence with vapor concentration through systematic corrections and calibrations. The intensities of two wavelengths were captured simultaneously from the liquid-phase fluorescence spectra, and their intensity ratios were correlated with liquid temperature. The results show that both liquid and vapor phase of multi-hole sprays collapse toward the centerline of the spray with different mass distributions under the flash boiling conditions. Large amount of vapor aggregates along the centerline of the spray to form a "gas jet" structure, whereas the liquid distributes more uniformly with large vortexes formed in the vicinity of the spray tip. The vaporization process under the flash boiling condition is greatly enhanced due to the intense bubble generation and burst. The liquid temperature measurements show strong temperature variations inside the flash boiling sprays with hot zones present in the "gas jet" structure and vortex region. In addition, high vapor concentration and closed vortex motion seem to have inhibited the heat and mass transfer in these regions. In summary, the vapor concentration and liquid temperature provide detailed information concerning the heat and mass transfer inside flash boiling sprays, which is important for the understanding of its unique vaporization process.

Expanding the molecular-ruler process through vapor deposition of hexadecanethiol

PubMed Central

Patron, Alexandra M; Hooker, Timothy S; Santavicca, Daniel F

2017-01-01

The development of methods to produce nanoscale features with tailored chemical functionalities is fundamental for applications such as nanoelectronics and sensor fabrication. The molecular-ruler process shows great utility for this purpose as it combines top-down lithography for the creation of complex architectures over large areas in conjunction with molecular self-assembly, which enables precise control over the physical and chemical properties of small local features. The molecular-ruler process, which most commonly uses mercaptoalkanoic acids and metal ions to generate metal-ligated multilayers, can be employed to produce registered nanogaps between metal features. Expansion of this methodology to include molecules with other chemical functionalities could greatly expand the overall versatility, and thus the utility, of this process. Herein, we explore the use of alkanethiol molecules as the terminating layer of metal-ligated multilayers. During this study, it was discovered that the solution deposition of alkanethiol molecules resulted in low overall surface coverage with features that varied in height. Because features with varied heights are not conducive to the production of uniform nanogaps via the molecular-ruler process, the vapor-phase deposition of alkanethiol molecules was explored. Unlike the solution-phase deposition, alkanethiol islands produced by vapor-phase deposition exhibited markedly higher surface coverages of uniform heights. To illustrate the applicability of this method, metal-ligated multilayers, both with and without an alkanethiol capping layer, were utilized to create nanogaps between Au features using the molecular-ruler process. PMID:29181290

A combined experimental and computational thermodynamic study of difluoronitrobenzene isomers.

PubMed

Ribeiro da Silva, Manuel A V; Monte, Manuel J S; Lobo Ferreira, Ana I M C; Oliveira, Juliana A S A; Cimas, Álvaro

2010-10-14

This work reports the experimental and computational thermochemical study performed on three difluorinated nitrobenzene isomers: 2,4-difluoronitrobenzene (2,4-DFNB), 2,5-difluoronitrobenzene (2,5-DFNB), and 3,4-difluoronitrobenzene (3,4-DFNB). The standard (p° = 0.1 MPa) molar enthalpies of formation in the liquid phase of these compounds were derived from the standard molar energies of combustion, in oxygen, at T = 298.15 K, measured by rotating bomb combustion calorimetry. A static method was used to perform the vapor pressure study of the referred compounds allowing the construction of the phase diagrams and determination of the respective triple point coordinates, as well as the standard molar enthalpies of vaporization, sublimation, and fusion for two of the isomers (2,4-DFNB and 3,4-DFNB). For 2,5-difluoronitrobenzene, only liquid vapor pressures were measured enabling the determination of the standard molar enthalpies of vaporization. Combining the thermodynamic parameters of the compounds studied, the following standard (p° = 0.1 MPa) molar enthalpies of formation in the gaseous phase, at T = 298.15 K, were derived: Δ(f)H(m)° (2,4-DFNB, g) = -(296.3 ± 1.8) kJ · mol⁻¹, Δ(f)H(m)° (2,5-DFNB, g) = -(288.2 ± 2.1) kJ · mol⁻¹, and Δ(f)H(m)° (3,4-DFNB, g) = -(302.4 ± 2.1) kJ · mol⁻¹. Using the empirical scheme developed by Cox, several approaches were evaluated in order to identify the best method for estimating the standard molar gas phase enthalpies of formation of these compounds. The estimated values were compared to the ones obtained experimentally, and the approach providing the best comparison with experiment was used to estimate the thermodynamic behavior of the other difluorinated nitrobenzene isomers not included in this study. Additionally, the enthalpies of formation of these compounds along with the enthalpies of formation of the other isomers not studied experimentally, i.e., 2,3-DFNB, 2,6-DFNB, and 3,5-DFNB, were estimated using the composite G3MP2B3 approach together with adequate gas-phase working reactions. Furthermore, we also used this computational approach to calculate the gas-phase basicities, proton and electron affinities, and, finally, adiabatic ionization enthalpies.

Liquid-vapor transition on patterned solid surfaces in a shear flow

NASA Astrophysics Data System (ADS)

Yao, Wenqi; Ren, Weiqing

2015-12-01

Liquids on a solid surface patterned with microstructures can exhibit the Cassie-Baxter (Cassie) state and the wetted Wenzel state. The transitions between the two states and the effects of surface topography, surface chemistry as well as the geometry of the microstructures on the transitions have been extensively studied in earlier work. However, most of these work focused on the study of the free energy landscape and the energy barriers. In the current work, we consider the transitions in the presence of a shear flow. We compute the minimum action path between the Wenzel and Cassie states using the minimum action method [W. E, W. Ren, and E. Vanden-Eijnden, Commun. Pure Appl. Math. 57, 637 (2004)]. Numerical results are obtained for transitions on a surface patterned with straight pillars. It is found that the shear flow facilitates the transition from the Wenzel state to the Cassie state, while it inhibits the transition backwards. The Wenzel state becomes unstable when the shear rate reaches a certain critical value. Two different scenarios for the Wenzel-Cassie transition are observed. At low shear rate, the transition happens via nucleation of the vapor phase at the bottom of the groove followed by its growth. At high shear rate, in contrary, the nucleation of the vapor phase occurs at the top corner of a pillar. The vapor phase grows in the direction of the flow, and the system goes through an intermediate metastable state before reaching the Cassie state.

Growth of epitaxial orthorhombic YO{sub 1.5}-substituted HfO{sub 2} thin film

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

Shimizu, Takao; Katayama, Kiliha; Kiguchi, Takanori

YO{sub 1.5}-substituted HfO{sub 2} thin films with various substitution amounts were grown on (100) YSZ substrates by the pulsed laser deposition method directly from the vapor phase. The epitaxial growth of film with different YO{sub 1.5} amounts was confirmed by the X-ray diffraction method. Wide-area reciprocal lattice mapping measurements were performed to clarify the crystal symmetry of films. The formed phases changed from low-symmetry monoclinic baddeleyite to high-symmetry tetragonal/cubic fluorite phases through an orthorhombic phase as the YO{sub 1.5} amount increased from 0 to 0.15. The additional annular bright-field scanning transmission electron microscopy indicates that the orthorhombic phase has polarmore » structure. This means that the direct growth by vapor is of polar orthorhombic HfO{sub 2}-based film. Moreover, high-temperature X-ray diffraction measurements showed that the film with a YO{sub 1.5} amount of 0.07 with orthorhombic structure at room temperature only exhibited a structural phase transition to tetragonal phase above 450 °C. This temperature is much higher than the reported maximum temperature of 200 °C to obtain ferroelectricity as well as the expected temperature for real device application. The growth of epitaxial orthorhombic HfO{sub 2}-based film helps clarify the nature of ferroelectricity in HfO{sub 2}-based films (186 words/200 words)« less

Interfacial nonequilibrium and Bénard-Marangoni instability of a liquid-vapor system

NASA Astrophysics Data System (ADS)

Margerit, J.; Colinet, P.; Lebon, G.; Iorio, C. S.; Legros, J. C.

2003-10-01

We study Bénard-Marangoni instability in a system formed by a horizontal liquid layer and its overlying vapor. The liquid is lying on a hot rigid plate and the vapor is bounded by a cold parallel plate. A pump maintains a reduced pressure in the vapor layer and evacuates the vapor. This investigation is undertaken within the classical quasisteady approximation for both the vapor and the liquid phases. The two layers are separated by a deformable interface. Temporarily frozen temperature and velocity distributions are employed at each instant for the stability analysis, limited to infinitesimal disturbances (linear regime). We use irreversible thermodynamics to model the phase change under interfacial nonequilibrium. Within this description, the interface appears as a barrier for transport of both heat and mass. Hence, in contrast with previous studies, we consider the possibility of a temperature jump across the interface, as recently measured experimentally. The stability analysis shows that the interfacial resistances to heat and mass transfer have a destabilizing influence compared to an interface that is in thermodynamic equilibrium. The role of the fluctuations in the vapor phase on the onset of instability is discussed. The conditions to reduce the system to a one phase model are also established. Finally, the influence of the evaporation parameters and of the presence of an inert gas on the marginal stability curves is discussed.

Vaporization and recondensation dynamics of indocyanine green-loaded perfluoropentane droplets irradiated by a short pulse laser

NASA Astrophysics Data System (ADS)

Yu, Jaesok; Chen, Xucai; Villanueva, Flordeliza S.; Kim, Kang

2016-12-01

Phase-transition droplets have been proposed as promising contrast agents for ultrasound and photoacoustic imaging. Short pulse laser activated perfluorocarbon-based droplets, especially when in a medium with a temperature below their boiling point, undergo phase changes of vaporization and recondensation in response to pulsed laser irradiation. Here, we report and discuss the vaporization and recondensation dynamics of perfluoropentane droplets containing indocyanine green in response to a short pulsed laser with optical and acoustic measurements. To investigate the effect of temperature on the vaporization process, an imaging chamber was mounted on a temperature-controlled water reservoir and then the vaporization event was recorded at 5 million frames per second via a high-speed camera. The high-speed movies show that most of the droplets within the laser beam area expanded rapidly as soon as they were exposed to the laser pulse and immediately recondensed within 1-2 μs. The vaporization/recondensation process was consistently reproduced in six consecutive laser pulses to the same area. As the temperature of the media was increased above the boiling point of the perfluoropentane, the droplets were less likely to recondense and remained in a gas phase after the first vaporization. These observations will help to clarify the underlying processes and eventually guide the design of repeatable phase-transition droplets as a photoacoustic imaging contrast agent.

Development of a Computational Chemical Vapor Deposition Model: Applications to Indium Nitride and Dicyanovinylaniline

NASA Technical Reports Server (NTRS)

Cardelino, Carlos

1999-01-01

A computational chemical vapor deposition (CVD) model is presented, that couples chemical reaction mechanisms with fluid dynamic simulations for vapor deposition experiments. The chemical properties of the systems under investigation are evaluated using quantum, molecular and statistical mechanics models. The fluid dynamic computations are performed using the CFD-ACE program, which can simulate multispecies transport, heat and mass transfer, gas phase chemistry, chemistry of adsorbed species, pulsed reactant flow and variable gravity conditions. Two experimental setups are being studied, in order to fabricate films of: (a) indium nitride (InN) from the gas or surface phase reaction of trimethylindium and ammonia; and (b) 4-(1,1)dicyanovinyl-dimethylaminoaniline (DCVA) by vapor deposition. Modeling of these setups requires knowledge of three groups of properties: thermodynamic properties (heat capacity), transport properties (diffusion, viscosity, and thermal conductivity), and kinetic properties (rate constants for all possible elementary chemical reactions). These properties are evaluated using computational methods whenever experimental data is not available for the species or for the elementary reactions. The chemical vapor deposition model is applied to InN and DCVA. Several possible InN mechanisms are proposed and analyzed. The CVD model simulations of InN show that the deposition rate of InN is more efficient when pulsing chemistry is used under conditions of high pressure and microgravity. An analysis of the chemical properties of DCVA show that DCVA dimers may form under certain conditions of physical vapor transport. CVD simulations of the DCVA system suggest that deposition of the DCVA dimer may play a small role in the film and crystal growth processes.

Method for decontamination of radioactive metal surfaces

DOEpatents

Bray, L.A.

1996-08-13

Disclosed is a method for removing radioactive contaminants from metal surfaces by applying steam containing an inorganic acid and cerium IV. Cerium IV is applied to contaminated metal surfaces by introducing cerium IV in solution into a steam spray directed at contaminated metal surfaces. Cerium IV solution is converted to an essentially atomized or vapor phase by the steam.

Application of Thioether for Vapor Phase Lubrication

NASA Technical Reports Server (NTRS)

Graham, E. Earl

1997-01-01

The objective of these studies was to identify the optimal conditions for vapor phase lubrication using Thioether for both sliding and rolling wear. The important variable include; (1) The component materials including M50 steel, monel and silicon nitride. (2) The vapor concentration and flow rate. (3) The temperature in the range of 600 F to 1500 F. (4) The loads and rolling and/or sliding speeds.

The Vapor-phase Multi-stage CMD Test for Characterizing Contaminant Mass Discharge Associated with VOC Sources in the Vadose Zone: Application to Three Sites in Different Lifecycle Stages of SVE Operations

PubMed Central

Brusseau, M.L.; Mainhagu, J.; Morrison, C.; Carroll, K.C.

2015-01-01

Vapor-phase multi-stage contaminant mass discharge (CMD) tests were conducted at three field sites to measure mass discharge associated with contaminant sources located in the vadose zone. The three sites represent the three primary stages along the soil vapor extraction (SVE) operations lifecycle- pre/initial-SVE, mid-lifecycle, and near-closure. A CMD of 32 g/d was obtained for a site at which soil vapor SVE has been in operation for approximately 6 years, and for which mass removal is currently in the asymptotic stage. The contaminant removal behavior exhibited for the vapor extractions conducted at this site suggests that there is unlikely to be a significant mass of non-vapor-phase contaminant (e.g., DNAPL, sorbed phase) remaining in the advective domains, and that most remaining mass is likely located in poorly accessible domains. Given the conditions for this site, this remaining mass is hypothesized to be associated with the low-permeability (and higher water saturation) region in the vicinity of the saturated zone and capillary fringe. A CMD of 25 g/d was obtained for a site wherein SVE has been in operation for several years but concentrations and mass-removal rates are still relatively high. A CMD of 270 g/d was obtained for a site for which there were no prior SVE operations. The behavior exhibited for the vapor extractions conducted at this site suggest that non-vapor-phase contaminant mass (e.g., DNAPL) may be present in the advective domains. Hence, the asymptotic conditions observed for this site most likely derive from a combination of rate-limited mass transfer from DNAPL (and sorbed) phases present in the advective domain as well as mass residing in lower-permeability (“non-advective”) regions. The CMD values obtained from the tests were used in conjunction with a recently developed vapor-discharge tool to evaluate the impact of the measured CMDs on groundwater quality. PMID:26047819

The vapor-phase multi-stage CMD test for characterizing contaminant mass discharge associated with VOC sources in the vadose zone: Application to three sites in different lifecycle stages of SVE operations.

PubMed

Brusseau, M L; Mainhagu, J; Morrison, C; Carroll, K C

2015-08-01

Vapor-phase multi-stage contaminant mass discharge (CMD) tests were conducted at three field sites to measure mass discharge associated with contaminant sources located in the vadose zone. The three sites represent the three primary stages of the soil vapor extraction (SVE) operations lifecycle-pre/initial-SVE, mid-lifecycle, and near-closure. A CMD of 32g/d was obtained for a site at which soil vapor SVE has been in operation for approximately 6years, and for which mass removal is currently in the asymptotic stage. The contaminant removal behavior exhibited for the vapor extractions conducted at this site suggests that there is unlikely to be a significant mass of non-vapor-phase contaminant (e.g., DNAPL, sorbed phase) remaining in the advective domains, and that most remaining mass is likely located in poorly accessible domains. Given the conditions for this site, this remaining mass is hypothesized to be associated with the low-permeability (and higher water saturation) region in the vicinity of the saturated zone and capillary fringe. A CMD of 25g/d was obtained for a site wherein SVE has been in operation for several years but concentrations and mass-removal rates are still relatively high. A CMD of 270g/d was obtained for a site for which there were no prior SVE operations. The behavior exhibited for the vapor extractions conducted at this site suggest that non-vapor-phase contaminant mass (e.g., DNAPL) may be present in the advective domains. Hence, the asymptotic conditions observed for this site most likely derive from a combination of rate-limited mass transfer from DNAPL (and sorbed) phases present in the advective domain as well as mass residing in lower-permeability ("non-advective") regions. The CMD values obtained from the tests were used in conjunction with a recently developed vapor-discharge tool to evaluate the impact of the measured CMDs on groundwater quality. Copyright © 2015 Elsevier B.V. All rights reserved.

Heat storage system utilizing phase change materials government rights

DOEpatents

Salyer, Ival O.

2000-09-12

A thermal energy transport and storage system is provided which includes an evaporator containing a mixture of a first phase change material and a silica powder, and a condenser containing a second phase change material. The silica powder/PCM mixture absorbs heat energy from a source such as a solar collector such that the phase change material forms a vapor which is transported from the evaporator to the condenser, where the second phase change material melts and stores the heat energy, then releases the energy to an environmental space via a heat exchanger. The vapor is condensed to a liquid which is transported back to the evaporator. The system allows the repeated transfer of thermal energy using the heat of vaporization and condensation of the phase change material.

Studies related to the surfaces of the moon and planets. [a discussion of vapor deposition and glasses of lunar composition

NASA Technical Reports Server (NTRS)

Hapke, B.

1974-01-01

A variety of glasses of lunar composition were prepared with different amounts of Fe and Ti under both reducing and oxidizing conditions, and also by sputter-deposition and thermal evaporation and condensation. These materials were analyzed by wet chemical, electron microprobe, ESR, Mossbauer and magnetic methods. The effects of darkening processes on surface soils of airless bodies are discussed along with the effects of vapor phase deposition processes on the optical, chemical, and magnetic properties of the lunar regolith.

Heating systems for heating subsurface formations

DOEpatents

Nguyen, Scott Vinh [Houston, TX; Vinegar, Harold J [Bellaire, TX

2011-04-26

Methods and systems for heating a subsurface formation are described herein. A heating system for a subsurface formation includes a sealed conduit positioned in an opening in the formation and a heat source. The sealed conduit includes a heat transfer fluid. The heat source provides heat to a portion of the sealed conduit to change phase of the heat transfer fluid from a liquid to a vapor. The vapor in the sealed conduit rises in the sealed conduit, condenses to transfer heat to the formation and returns to the conduit portion as a liquid.

Self-assembled pentacenequinone derivative for trace detection of picric acid.

PubMed

Bhalla, Vandana; Gupta, Ankush; Kumar, Manoj; Rao, D S Shankar; Prasad, S Krishna

2013-02-01

Pentacenequinone derivative 3 forms luminescent supramolecular aggregates both in bulk as well as in solution phase. In bulk phase at high temperature, long-range stacking of columns leads to formation of stable and ordered columnar mesophase. Further, derivative 3 works as sensitive chemosensor for picric acid (PA) and gel-coated paper strips detect PA at nanomolar level and provide a simple, portable, and low-cost method for detection of PA in aqueous solution, vapor phase, and in contact mode.

Determination of methane concentrations in water in equilibrium with sI methane hydrate in the absence of a vapor phase by in situ Raman spectroscopy

USGS Publications Warehouse

Lu, W.; Chou, I.-Ming; Burruss, R.C.

2008-01-01

Most submarine gas hydrates are located within the two-phase equilibrium region of hydrate and interstitial water with pressures (P) ranging from 8 to 60 MPa and temperatures (T) from 275 to 293 K. However, current measurements of solubilities of methane in equilibrium with hydrate in the absence of a vapor phase are limited below 20 MPa and 283.15 K, and the differences among these data are up to 30%. When these data were extrapolated to other P-T conditions, it leads to large and poorly known uncertainties. In this study, in situ Raman spectroscopy was used to measure methane concentrations in pure water in equilibrium with sI (structure one) methane hydrate, in the absence of a vapor phase, at temperatures from 276.6 to 294.6 (??0.3) K and pressures at 10, 20, 30 and 40 (??0.4%) MPa. The relationship among concentration of methane in water in equilibrium with hydrate, in mole fraction [X(CH4)], the temperature in K, and pressure in MPa was derived as: X(CH4) = exp [11.0464 + 0.023267 P - (4886.0 + 8.0158 P)/T]. Both the standard enthalpy and entropy of hydrate dissolution at the studied T-P conditions increase slightly with increasing pressure, ranging from 41.29 to 43.29 kJ/mol and from 0.1272 to 0.1330 kJ/K ?? mol, respectively. When compared with traditional sampling and analytical methods, the advantages of our method include: (1) the use of in situ Raman signals for methane concentration measurements eliminates possible uncertainty caused by sampling and ex situ analysis, (2) it is simple and efficient, and (3) high-pressure data can be obtained safely. ?? 2007 Elsevier Ltd. All rights reserved.

Effect of surface condition on the formation of solid lubricating films at high temperatures

NASA Technical Reports Server (NTRS)

Hanyaloglu, Bengi; Graham, E. E.

1992-01-01

Solid films were produced on active metal or ceramic surfaces using lubricants (such as tricresyl phosphate) delivered as a vapor at high temperatures, and the lubricity of these deposits under different dynamic wear conditions was investigated. A method is described for chemically activating ceramic surfaces resulting in a surface that could promote the formation of lubricating polymeric derivative of TCP. Experiments were carried out to evaluate the wear characteristics of unlubricated cast iron and of Sialon ceramic at 25 and 280 C, and lubricated with a vapor of TCP at 280 C. It is shown that continuous vapor phase lubrication of chemically treated Sialon reduced its coefficient of friction from 0.7 to less than 0.1.

Extended vapor-liquid-solid growth of silicon carbide nanowires.

PubMed

Rajesh, John Anthuvan; Pandurangan, Arumugam

2014-04-01

We developed an alloy catalytic method to explain extended vapor-liquid-solid (VLS) growth of silicon carbide nanowires (SiC NWs) by a simple thermal evaporation of silicon and activated carbon mixture using lanthanum nickel (LaNi5) alloy as catalyst in a chemical vapor deposition process. The LaNi5 alloy binary phase diagram and the phase relationships in the La-Ni-Si ternary system were play a key role to determine the growth parameters in this VLS mechanism. Different reaction temperatures (1300, 1350 and 1400 degrees C) were applied to prove the established growth process by experimentally. Scanning electron microscopy and transmission electron microscopy studies show that the crystalline quality of the SiC NWs increases with the temperature at which they have been synthesized. La-Ni alloyed catalyst particles observed on the top of the SiC NWs confirms that the growth process follows this extended VLS mechanism. The X-ray diffraction and confocal Raman spectroscopy analyses demonstrate that the crystalline structure of the SiC NWs was zinc blende 3C-SiC. Optical property of the SiC NWs was investigated by photoluminescence technique at room temperature. Such a new alloy catalytic method may be extended to synthesis other one-dimensional nanostructures.

Optimization of total vaporization solid-phase microextraction (TV-SPME) for the determination of lipid profiles of Phormia regina, a forensically important blow fly species.

PubMed

Kranz, William; Carroll, Clinton; Dixon, Darren; Picard, Christine; Goodpaster, John

2017-11-01

A new method has been developed for the determination of fatty acids, sterols, and other lipids which naturally occur within pupae of the blow fly Phormia regina. The method relies upon liquid extraction in non-polar solvent, followed by derivatization using N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) w/ 1% trimethylchlorsilane (TMCS) carried out inside the sample vial. The analysis is facilitated by total vaporization solid-phase microextraction (TV-SPME), with gas chromatography-mass spectrometry (GC-MS) serving as the instrumentation for analysis. The TV-SPME delivery technique is approximately a factor of five more sensitive than traditional liquid injection, which may alleviate the need for rotary evaporation, reconstitution, collection of high performance liquid chromatography fractions, and many of the other pre-concentration steps that are commonplace in the current literature. Furthermore, the ability to derivatize the liquid extract in a single easy step while increasing sensitivity represents an improvement over current derivatization methods. The most common lipids identified in fly pupae were various saturated and unsaturated fatty acids ranging from lauric acid (12:0) to arachinoic acid (20:4), as well as cholesterol. The concentrations of myristic acid (14:0), palmitelaidic acid (16:2), and palmitoleic acid (16:1) were the most reliable indicators of the age of the pupae. Graphical abstract Blow fly pupae were extracted prior to emerging as adults. The extracts were analyzed via total vaporization solid-phase microextraction (TV-SPME), revealing a complex mixture of lipids that could be associated with the age of the insect. This information may assist in determining a post-mortum interval (PMI) in a death investigation.

Treatment method for emulsified petroleum wastes

DOEpatents

Sealock, Jr., L. John; Baker, Eddie G.; Elliott, Douglas C.

1990-01-01

An improved reclamation process for treating petroleum oil and water emulsions derived from producing or processing crude oil is disclosed. The process comprises heating the emulsion to a predetermined temperature at or above about 300.degree. C. and pressurizing the emulsion to a predetermined pressure above the vapor pressure of water at the predetermined temperature. The emulsion is broken by containing the heated and pressurized fluid within a vessel at the predetermined temperature and pressure for a predetermined period of time to effectively separate the emulsion into substantially distinct first, second and third phases. The three phases are then separately withdrawn from the vessel, preferably without any appreciable reduction in temperature and pressure, and at least above a withdraw temperature of about 300.degree. and above the vapor pressure of water at the withdraw temperature.

An instrument for in situ coherent x-ray studies of metal-organic vapor phase epitaxy of III-nitrides.

PubMed

Ju, Guangxu; Highland, Matthew J; Yanguas-Gil, Angel; Thompson, Carol; Eastman, Jeffrey A; Zhou, Hua; Brennan, Sean M; Stephenson, G Brian; Fuoss, Paul H

2017-03-01

We describe an instrument that exploits the ongoing revolution in synchrotron sources, optics, and detectors to enable in situ studies of metal-organic vapor phase epitaxy (MOVPE) growth of III-nitride materials using coherent x-ray methods. The system includes high-resolution positioning of the sample and detector including full rotations, an x-ray transparent chamber wall for incident and diffracted beam access over a wide angular range, and minimal thermal sample motion, giving the sub-micron positional stability and reproducibility needed for coherent x-ray studies. The instrument enables surface x-ray photon correlation spectroscopy, microbeam diffraction, and coherent diffraction imaging of atomic-scale surface and film structure and dynamics during growth, to provide fundamental understanding of MOVPE processes.

An instrument for in situ coherent x-ray studies of metal-organic vapor phase epitaxy of III-nitrides

NASA Astrophysics Data System (ADS)

Ju, Guangxu; Highland, Matthew J.; Yanguas-Gil, Angel; Thompson, Carol; Eastman, Jeffrey A.; Zhou, Hua; Brennan, Sean M.; Stephenson, G. Brian; Fuoss, Paul H.

2017-03-01

We describe an instrument that exploits the ongoing revolution in synchrotron sources, optics, and detectors to enable in situ studies of metal-organic vapor phase epitaxy (MOVPE) growth of III-nitride materials using coherent x-ray methods. The system includes high-resolution positioning of the sample and detector including full rotations, an x-ray transparent chamber wall for incident and diffracted beam access over a wide angular range, and minimal thermal sample motion, giving the sub-micron positional stability and reproducibility needed for coherent x-ray studies. The instrument enables surface x-ray photon correlation spectroscopy, microbeam diffraction, and coherent diffraction imaging of atomic-scale surface and film structure and dynamics during growth, to provide fundamental understanding of MOVPE processes.

Liquid-phase and vapor-phase dehydration of organic/water solutions

DOEpatents

Huang, Yu [Palo Alto, CA; Ly, Jennifer [San Jose, CA; Aldajani, Tiem [San Jose, CA; Baker, Richard W [Palo Alto, CA

2011-08-23

Processes for dehydrating an organic/water solution by pervaporation or vapor separation using fluorinated membranes. The processes are particularly useful for treating mixtures containing light organic components, such as ethanol, isopropanol or acetic acid.

Heat recovery from sorbent-based CO.sub.2 capture

DOEpatents

Jamal, Aqil; Gupta, Raghubir P

2015-03-10

The present invention provides a method of increasing the efficiency of exothermic CO.sub.2 capture processes. The method relates to withdrawing heat generated during the exothermic capture of CO.sub.2 with various sorbents via heat exchange with a working fluid. The working fluid is provided at a temperature and pressure such that it is in the liquid state, and has a vaporization temperature in a range such that the heat arising from the reaction of the CO.sub.2 and the sorbent causes a phase change from liquid to vapor state in whole or in part and transfers heat from to the working fluid. The resulting heated working fluid may subsequently be used to generate power.

Study on Cloud Water Resources and Precipitation Efficiency Characteristic over China

NASA Astrophysics Data System (ADS)

Zhou, Y., Sr.; Cai, M., Jr.

2017-12-01

The original concept and quantitative assessment method of cloud water resource and its related physical parameters are proposed based on the atmospheric water circulation and precipitation enhancement. A diagnosis method of the three-dimensional (3-D) cloud and cloud water field are proposed , based on cloud observation and atmospheric reanalysis data. Furthermore, using analysis data and precipitation products, Chinese cloud water resources in 2008-2010 are assessed preliminarily. The results show that: 1. Atmospheric water cycle and water balance plays an important part of the climate system. Water substance includes water vapor and hydrometeors, and the water cycle is the process of phase transition of water substances. Water vapor changes its phase into solid or liquid hydrometeors by lifting and condensation, and after that, the hydrometeors grow lager through cloud physical processes and then precipitate to ground, which is the mainly resource of available fresh water .Therefore, it's far from enough to only focus on the amount of water vapor, more attention should be transfered to the hydrometeors (cloud water resources) which is formed by the process of phase transition including lifting and condensation. The core task of rainfall enhancement is to develop the cloud water resources and raise the precipitation efficiency by proper technological measures. 2. Comparing with the water vapor, the hydrometeor content is much smaller. Besides, the horizontal delivery amount also shows two orders of magnitude lower than water vapor. But the update cycle is faster and the precipitation efficiency is higher. The amount of cloud water resources in the atmosphere is determined by the instantaneous quantity, the advection transport, condensation and precipitation from the water balance.The cloud water resources vary a lot in different regions. In southeast China, hydrometeor has the fastest renewal cycle and the highest precipitation efficiency. The total amount of hydrometeor in the northwest China is relatively small, but it still has some development potential due to the low precipitation efficiency. 3. The accuracy of the assessment results can be improved and the estimation error can be reduced by using higher-resolution reanalysis data or combining of observational diagnosis and numerical model.

Expanding Taylor bubble under constant heat flux

NASA Astrophysics Data System (ADS)

Voirand, Antoine; Benselama, Adel M.; Ayel, Vincent; Bertin, Yves

2016-09-01

Modelization of non-isothermal bubbles expanding in a capillary, as a contribution to the understanding of the physical phenomena taking place in Pulsating Heat Pipes (PHPs), is the scope of this paper. The liquid film problem is simplified and solved, while the thermal problem takes into account a constant heat flux density applied at the capillary tube wall, exchanging with the liquid film surrounding the bubble and also with the capillary tube outside medium. The liquid slug dynamics is solved using the Lucas-Washburn equation. Mass and energy balance on the vapor phase allow governing equations of bubble expansion to be written. The liquid and vapor phases are coupled only through the saturation temperature associated with the vapor pressure, assumed to be uniform throughout the bubble. Results show an over-heating of the vapor phase, although the particular thermal boundary condition used here always ensures an evaporative mass flux at the liquid-vapor interface. Global heat exchange is also investigated, showing a strong decreasing of the PHP performance to convey heat by phase change means for large meniscus velocities.

Simultaneous imaging of fuel vapor mass fraction and gas-phase temperature inside gasoline sprays using two-line excitation tracer planar laser-induced fluorescence.

PubMed

Zigan, Lars; Trost, Johannes; Leipertz, Alfred

2016-02-20

This paper reports for the first time, to the best of our knowledge, on the simultaneous imaging of the gas-phase temperature and fuel vapor mass fraction distribution in a direct-injection spark-ignition (DISI) spray under engine-relevant conditions using tracer planar laser-induced fluorescence (TPLIF). For measurements in the spray, the fluorescence tracer 3-pentanone is added to the nonfluorescent surrogate fuel iso-octane, which is excited quasi-simultaneously by two different excimer lasers for two-line excitation LIF. The gas-phase temperature of the mixture of fuel vapor and surrounding gas and the fuel vapor mass fraction can be calculated from the two LIF signals. The measurements are conducted in a high-temperature, high-pressure injection chamber. The fluorescence calibration of the tracer was executed in a flow cell and extended significantly compared to the existing database. A detailed error analysis for both calibration and measurement is provided. Simultaneous single-shot gas-phase temperature and fuel vapor mass fraction fields are processed for the assessment of cyclic spray fluctuations.

Bulk Growth of Wide Band Gap II-VI Compound Semiconductors by Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua

1997-01-01

The mechanism of physical vapor transport of II-VI semiconducting compounds was studied both theoretically, using a one-dimensional diffusion model, as well as experimentally. It was found that the vapor phase stoichiometry is critical in determining the vapor transport rate. The experimental heat treatment methods to control the vapor composition over the starting materials were investigated and the effectiveness of the heat treatments was confirmed by partial pressure measurements using an optical absorption technique. The effect of residual (foreign) gas on the transport rate was also studies theoretically by the diffusion model and confirmed experimentally by the measurements of total pressure and compositions of the residual gas. An in-situ dynamic technique for the transport rate measurements and a further extension of the technique that simultaneously measured the partial pressures and transport rates were performed and, for the first time, the experimentally determined mass fluxes were compared with those calculated, without any adjustable parameters, from the diffusion model. Using the information obtained from the experimental transport rate measurements as guideline high quality bulk crystal of wide band gap II-VI semiconductor were grown from the source materials which undergone the same heat treatment methods. The grown crystals were then extensively characterized with emphasis on the analysis of the crystalline structural defects.

Pumped two-phase heat transfer loop

NASA Technical Reports Server (NTRS)

Edelstein, Fred

1988-01-01

A pumped loop two-phase heat transfer system, operating at a nearly constant temperature throughout, includes several independently operating grooved capillary heat exchanger plates supplied with working fluid through independent flow modulation valves connected to a liquid supply line, a vapor line for collecting vapor from the heat exchangers, a condenser between the vapor and the liquid lines, and a fluid circulating pump between the condenser and the heat exchangers.

Pumped two-phase heat transfer loop

NASA Technical Reports Server (NTRS)

Edelstein, Fred (Inventor)

1987-01-01

A pumped loop two-phase heat transfer system, operating at a nearly constant temperature throughout, includes a plurality of independently operating grooved capillary heat exchanger plates supplied with working fluid through independent flow modulation valves connected to a liquid supply line, a vapor line for collecting vapor from the heat exchangers, a condenser between the vapor and the liquid lines, and a fluid circulating pump between the condenser and the heat exchangers.

Synthesis of TiO2 Nanoparticles from Ilmenite Through the Mechanism of Vapor-Phase Reaction Process by Thermal Plasma Technology

NASA Astrophysics Data System (ADS)

Samal, Sneha

2017-11-01

Synthesis of nanoparticles of TiO2 was carried out by non-transferred arc thermal plasma reactor using ilmenite as the precursor material. The powder ilmenite was vaporized at high temperature in plasma flame and converted to a gaseous state of ions in the metastable phase. On cooling, chamber condensation process takes place on recombination of ions for the formation of nanoparticles. The top-to-bottom approach induces the disintegration of complex ilmenite phases into simpler compounds of iron oxide and titanium dioxide phases. The vapor-phase reaction mechanism was carried out in thermal plasma zone for the synthesis of nanoparticles from ilmenite compound in a plasma reactor. The easy separation of iron particles from TiO2 was taken place in the plasma chamber with deposition of light TiO2 particles at the top of the cooling chamber and iron particles at the bottom. The dissociation and combination process of mechanism and synthesis are studied briefly in this article. The product TiO2 nanoparticle shows the purity with a major phase of rutile content. TiO2 nanoparticles produced in vapor-phase reaction process shows more photo-induced capacity.

LNAPL DISTRIBUTION AND HYDROCARBON VAPOR TRANSPORT IN THE CAPILLARY FRINGE

EPA Science Inventory

Vertical distributions of water and light nonaqueous phase liquid (LNAPL) from a well document aviation gasoline spill at the US Coast Guard Air Station in Traverse City, Michigan were measured. Two field sampling methods for the determination of LNAPL content were presented. E...

Synthesis and impurity doping of GaN powders by the two-stage vapor-phase method for phosphor applications

NASA Astrophysics Data System (ADS)

Hara, K.; Okuyama, E.; Yonemura, A.; Uchida, T.; Okamoto, N.

2006-09-01

The analysis of particle formation and the doping of luminescent impurities during the two-stage vapor-phase synthesis of GaN powder were carried. GaN particles were grown very fast during the second stage of this method, and the increment in particle size was larger for higher reaction temperature in the region between 800 and 1000 °C. The analysis on the behaviour of particle growth based on the reaction kinetics suggested that the growth almost finishes in a few seconds with an extremely high rate at the early stage at 1000 °C, whereas the growth lasts with relatively low rates for a time longer than the actual growth duration for the case of lower temperature synthesis. GaN powders doped with various impurity atoms were synthesized by supplying impurity sources with GaCl during the second stage. The samples doped with Zn, Mg and Tb showed emissions characteristic for each doped impurity.

Synthesis of molybdenum carbide superconducting compounds by microwave-plasma chemical vapor deposition

NASA Astrophysics Data System (ADS)

Zhao, Hongyang; Cai, Kang; Ma, Zhibin; Cheng, Zhenxiang; Jia, Tingting; Kimura, Hideo; Fu, Qiuming; Tao, Hong; Xiong, Liwei

2018-02-01

A method to synthesize molybdenum carbides has been developed based on microwave plasma treatment with methane and hydrogen mixed gases, using a microwave-plasma chemical vapor deposition device. The device framework and its mechanism are described in detail. Two-dimensional α-Mo2C has been directly synthesized by a plate-to-plate substrate holder structure with a microwave power of 920 W and a partial pressure of 20 kPa. In-situ optical emission spectroscopy was used to measure the radical types in the plasma ball during glow discharge. The as-grown α-Mo2C samples were characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy and Raman spectroscopy to determine their phases, purity and chemical groups. The superconducting transition temperature was measured, and the transition temperatures of the relevant phases are discussed in detail. The results confirmed that this method is an efficient way to obtain molybdenum carbides and inspire new research interest in transition metal carbides, which have many intrinsic local properties and applications.

Purification and Crystal Growth of Lead Iodide by Physical Vapor Transport Method

NASA Technical Reports Server (NTRS)

Wright, G. W.; Cole, M.; Chen, Y.-F.; Chen, K.-T.; Chen, H.; Chattopadhyay, K.; Burger, A.

1998-01-01

Lead iodide (PbI2) is a layered compound semiconductor being developed as room temperature x- and gamma-ray detector. Compared to the more studied material, mercuric iodide, PbI2 has a higher melting temperature and no phase transition until liquid phase which are indications of better mechanical properties. In this study, the source material was purified by the zone-refining process, and the purest section was extracted from center of the the zone-refined ingot to be grown by physical vapor transport (PVT) method. The zone-refined material and as-grown crystals were characterized by optical microscopy and differential scanning calorimetry (DSC) to reveal the surface morphology, purity and stoichiometry. The results shows that both materials are near-stoichiometric composition, with the purity of the as-grown crystals higher than zone-refined materials. The resistivity of the as-grown crystal (10" Omega-cm) was derived from current-voltage (I-V) measurement, and is 10 times higher than the zone-refined materials. Detail results will be presented and discussed.

FIELD TRAPPING OF SUBSURFACE VAPOR PHASE PETROLEUM HYDROCARBONS

EPA Science Inventory

Soil gas samples from intact soil cores were collected on adsorbents at a field site, then thermally desorbed and analyzed by laboratory gas chromatography (GC). ertical concentration profiles of predominant vapor phase petroleum hydrocarbons under ambient conditions were obtaine...

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.

Reduction of degradation in vapor phase transported InP/InGaAsP mushroom stripe lasers

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

Jung, H.; Burkhardt, E.G.; Pfister, W.

1988-10-03

The rapid degradation rate generally observed in InP/InGaAsP mushroom stripe lasers can be considerably decreased by regrowing the open sidewalls of the active stripe with low-doped InP in a second epitaxial step using the hydride vapor phase transport technique. This technique does not change the fundamental laser parameters like light-current and current-voltage characteristics. Because of this drastic reduction in degradation, the vapor phase epitaxy regrown InP/InGaAsP mushroom laser seems to be an interesting candidate for application in optical communication.

Liquid-vapor phase equilibria and the thermodynamic properties of 2-methylpropanol- n-alkyl propanoate solutions

NASA Astrophysics Data System (ADS)

Suntsov, Yu. K.; Goryunov, V. A.; Chuikov, A. M.; Meshcheryakov, A. V.

2016-08-01

The boiling points of solutions of five binary systems are measured via ebulliometry in the pressure range of 2.05-103.3 kPa. Equilibrium vapor phase compositions, the values of the excess Gibbs energies, enthalpies, and entropies of solution of these systems are calculated. Patterns in the changes of phase equilibria and thermodynamic properties of solutions are established, depending on the compositions and temperatures of the systems. Liquid-vapor equilibria in the systems are described using the equations of Wilson and the NRTL (Non-Random Two-Liquid Model).

The microstructure and composition of equilibrium phases formed in hypoeutectic Te-In alloy during solidification

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

Wang, Baoguang

As a key tellurium atoms evaporation source for ultraviolet detection photocathode, the hypoeutectic Te{sub 75}In{sub 25} alloy was prepared by employing a slow solidification speed of about 10{sup −2} K/s. The microstructure and chemical composition of the equilibrium phases formed in the as-prepared alloy were studied in this research work. The experimental results show that the as-prepared Te-In alloy was constituted by primary In{sub 2}Te{sub 5} phase and eutectic In{sub 2}Te{sub 5}/Te phases. The eutectic In{sub 2}Te{sub 5}/Te phases are distributed in the grain boundaries of primary In{sub 2}Te{sub 5} phase. With the slow solidification speed, a pure eutectic Temore » phase without any excessive indium solute was obtained, where Te content of eutectic Te phase is 100 mass%. Moreover, it can be considered that the stress between the In{sub 2}Te{sub 5} and Te phases plays an important role in reducing the tellurium vapor pressure in Te{sub 75}In{sub 25} alloy. - Highlights: • The microstructure of Te-In alloy as an evaporation source was analyzed. • A pure eutectic Te phase was obtained by using a slow solidification speed method. • The relation between vapor pressure and inner-stress in the alloy was discussed.« less

Thermodynamics and proton activities of protic ionic liquids with quantum cluster equilibrium theory

NASA Astrophysics Data System (ADS)

Ingenmey, Johannes; von Domaros, Michael; Perlt, Eva; Verevkin, Sergey P.; Kirchner, Barbara

2018-05-01

We applied the binary Quantum Cluster Equilibrium (bQCE) method to a number of alkylammonium-based protic ionic liquids in order to predict boiling points, vaporization enthalpies, and proton activities. The theory combines statistical thermodynamics of van-der-Waals-type clusters with ab initio quantum chemistry and yields the partition functions (and associated thermodynamic potentials) of binary mixtures over a wide range of thermodynamic phase points. Unlike conventional cluster approaches that are limited to the prediction of thermodynamic properties, dissociation reactions can be effortlessly included into the bQCE formalism, giving access to ionicities, as well. The method is open to quantum chemical methods at any level of theory, but combination with low-cost composite density functional theory methods and the proposed systematic approach to generate cluster sets provides a computationally inexpensive and mostly parameter-free way to predict such properties at good-to-excellent accuracy. Boiling points can be predicted within an accuracy of 50 K, reaching excellent accuracy for ethylammonium nitrate. Vaporization enthalpies are predicted within an accuracy of 20 kJ mol-1 and can be systematically interpreted on a molecular level. We present the first theoretical approach to predict proton activities in protic ionic liquids, with results fitting well into the experimentally observed correlation. Furthermore, enthalpies of vaporization were measured experimentally for some alkylammonium nitrates and an excellent linear correlation with vaporization enthalpies of their respective parent amines is observed.

Frequency response of a vaporization process to distorted acoustic disturbances

NASA Technical Reports Server (NTRS)

Heidmann, M. F.

1972-01-01

The open-loop response properties expressed as the mass vaporized in phase and out of phase with the pressure oscillations were numerically evaluated for a vaporizing n-heptane droplet. The evaluation includes the frequency dependence introduced by periodic oscillation in droplet mass and temperature. A given response was achieved over a much broader range of frequency with harmonically distorted disturbances than with sinusoidal disturbances. The results infer that distortion increases the probability of incurring spontaneous and triggered instability in any rocket engine combustor by broadening the frequency range over which the vaporization process can support an instability.

Method for lubricating contacting surfaces

DOEpatents

Dugger, Michael T [Tijeras, NM; Ohlhausen, James A [Albuquerque, NM; Asay, David B [Boalsburg, PA; Kim, Seong H [State College, PA

2011-12-06

A method is provided for tribological lubrication of sliding contact surfaces, where two surfaces are in contact and in motion relative to each other, operating in a vapor-phase environment containing at least one alcohol compound at a concentration sufficiently high to provide one monolayer of coverage on at least one of the surfaces, where the alcohol compound continuously reacts at the surface to provide lubrication.

Method for treating beta-spodumene ceramics

DOEpatents

Day, J. Paul; Hickman, David L.

1994-09-27

A vapor-phase method for treating a beta-spodumene ceramic article to achieve a substitution of exchangeable hydrogen ions for the lithium present in the beta-spodumene crystals, wherein a barrier between the ceramic article and the source of exchangeable hydrogen ions is maintained in order to prevent lithium contamination of the hydrogen ion source and to generate highly recoverable lithium salts, is provided.

Comparison of forcefields for molecular dynamics simulations of hydrocarbon phase diagrams

NASA Astrophysics Data System (ADS)

Pisarev, V. V.; Zakharov, S. A.

2018-01-01

Molecular dynamics calculations of vapor-liquid equilibrium of methane-n-butane mixture are performed. Three force-field models are tested: the TraPPE-UA united-atom forcefield, LOPLS-AA all-atom forcefield and a fully flexible version of the TraPPE-EH all-atom forcefield. All those forcefields reproduce well the composition of liquid phase in the mixture as a function of pressure at the 300 K isotherm, while significant discrepancies from experimental data are observed in the saturated vapor compositions with OPLS-AA and TraPPE-UA forcefields. The best agreement with the experimental phase diagram is found with TraPPE-EH forcefield which accurately reproduces compositions of both liquid and vapor phase. This forcefield can be recommended for simulation of two-phase hydrocarbon systems.

Role of Co-Vapors in Vapor Deposition Polymerization

PubMed Central

Lee, Ji Eun; Lee, Younghee; Ahn, Ki-Jin; Huh, Jinyoung; Shim, Hyeon Woo; Sampath, Gayathri; Im, Won Bin; Huh, Yang–Il; Yoon, Hyeonseok

2015-01-01

Polypyrrole (PPy)/cellulose (PPCL) composite papers were fabricated by vapor phase polymerization. Importantly, the vapor-phase deposition of PPy onto cellulose was assisted by employing different co-vapors namely methanol, ethanol, benzene, water, toluene and hexane, in addition to pyrrole. The resulting PPCL papers possessed high mechanical flexibility, large surface-to-volume ratio, and good redox properties. Their main properties were highly influenced by the nature of the co-vaporized solvent. The morphology and oxidation level of deposited PPy were tuned by employing co-vapors during the polymerization, which in turn led to change in the electrochemical properties of the PPCL papers. When methanol and ethanol were used as co-vapors, the conductivities of PPCL papers were found to have improved five times, which was likely due to the enhanced orientation of PPy chain by the polar co-vapors with high dipole moment. The specific capacitance of PPCL papers obtained using benzene, toluene, water and hexane co-vapors was higher than those of the others, which is attributed to the enlarged effective surface area of the electrode material. The results indicate that the judicious choice and combination of co-vapors in vapor-deposition polymerization (VDP) offers the possibility of tuning the morphological, electrical, and electrochemical properties of deposited conducting polymers. PMID:25673422

METHOD OF COATING SURFACES WITH BORON

DOEpatents

Martin, G.R.

1949-10-11

A method of forming a thin coating of boron on metallic, glass, or other surfaces is described. The method comprises heating the article to be coated to a temperature of about 550 d C in an evacuated chamber and passing trimethyl boron, triethyl boron, or tripropyl boron in the vapor phase and under reduced pressure into contact with the heated surface causing boron to be deposited in a thin film.

FUNDAMENTAL MASS TRANSFER MODEL FOR INDOOR AIR EMISSIONS FROM SURFACE COATINGS

EPA Science Inventory

Emissions from freshly applied paints and other coatings can cause elevated indoor concentrations of vapor-phase organics. Methods are needed to determine the emission rates over time for these products. Some success has been achieved using simple first-order decay models to eval...

Solar physical vapor deposition preparation and microstructural characterization of TiO2 based nanophases for dye-sensitized solar cell applications.

PubMed

Negrea, Denis; Ducu, Catalin; Moga, Sorin; Malinovschi, Viorel; Monty, Claude J A; Vasile, Bogdan; Dorobantu, Dorel; Enachescu, Marian

2012-11-01

Titanium dioxide exists in three crystalline phases: anatase, rutile and brookite. Although rutile is thermodynamically more stable, anatase is considered as the most favorable phase for photocatalysis and solar energy conversion. Recent studies have shown a significant improvement of light harvesting and overall solar conversion efficiency of anatase nanoparticles in dye-sensitized solar cells (DSSCs) when using a mixture of anatase and rutile phases (10-15% rutile). TiO2 nanopowders have been prepared by a solar physical vapor deposition process (SPVD). This method has been developed in Odeillo-Font Romeu France using "heliotron" solar reactors working under concentrated sunlight in 2 kW solar furnaces. By controlling reactor's atmosphere type (air/argon) and gas pressure, several types of anatase/rutile nanophases have been obtained with slightly different microstructural properties and morphological characteristics. X-ray diffraction analyses (XRD) were performed on precursor and on the SPVD obtained nanopowders. Information concerning their phase composition and coherence diffraction domain (crystallites size and strain) was obtained. Nanopowders morphology has been studied by scanning electron microscopy (SEM) and transmission electron microscopy (TEM).

A numerical framework for bubble transport in a subcooled fluid flow

NASA Astrophysics Data System (ADS)

Jareteg, Klas; Sasic, Srdjan; Vinai, Paolo; Demazière, Christophe

2017-09-01

In this paper we present a framework for the simulation of dispersed bubbly two-phase flows, with the specific aim of describing vapor-liquid systems with condensation. We formulate and implement a framework that consists of a population balance equation (PBE) for the bubble size distribution and an Eulerian-Eulerian two-fluid solver. The PBE is discretized using the Direct Quadrature Method of Moments (DQMOM) in which we include the condensation of the bubbles as an internal phase space convection. We investigate the robustness of the DQMOM formulation and the numerical issues arising from the rapid shrinkage of the vapor bubbles. In contrast to a PBE method based on the multiple-size-group (MUSIG) method, the DQMOM formulation allows us to compute a distribution with dynamic bubble sizes. Such a property is advantageous to capture the wide range of bubble sizes associated with the condensation process. Furthermore, we compare the computational performance of the DQMOM-based framework with the MUSIG method. The results demonstrate that DQMOM is able to retrieve the bubble size distribution with a good numerical precision in only a small fraction of the computational time required by MUSIG. For the two-fluid solver, we examine the implementation of the mass, momentum and enthalpy conservation equations in relation to the coupling to the PBE. In particular, we propose a formulation of the pressure and liquid continuity equations, that was shown to correctly preserve mass when computing the vapor fraction with DQMOM. In addition, the conservation of enthalpy was also proven. Therefore a consistent overall framework that couples the PBE and two-fluid solvers is achieved.

Heterogeneously entrapped, vapor-rich melt inclusions record pre-eruptive magmatic volatile contents

NASA Astrophysics Data System (ADS)

Steele-MacInnis, Matthew; Esposito, Rosario; Moore, Lowell R.; Hartley, Margaret E.

2017-04-01

Silicate melt inclusions (MI) commonly provide the best record of pre-eruptive H2O and CO2 contents of subvolcanic melts, but the concentrations of CO2 and H2O in the melt (glass) phase within MI can be modified by partitioning into a vapor bubble after trapping. Melt inclusions may also enclose vapor bubbles together with the melt (i.e., heterogeneous entrapment), affecting the bulk volatile composition of the MI, and its post-entrapment evolution. In this study, we use numerical modeling to examine the systematics of post-entrapment volatile evolution within MI containing various proportions of trapped vapor from zero to 95 volume percent. Modeling indicates that inclusions that trap only a vapor-saturated melt exhibit significant decrease in CO2 and moderate increase in H2O concentrations in the melt upon nucleation and growth of a vapor bubble. In contrast, inclusions that trap melt plus vapor exhibit subdued CO2 depletion at equivalent conditions. In the extreme case of inclusions that trap mostly the vapor phase (i.e., CO2-H2O fluid inclusions containing trapped melt), degassing of CO2 from the melt is negligible. In the latter scenario, the large fraction of vapor enclosed in the MI during trapping essentially serves as a buffer, preventing post-entrapment modification of volatile concentrations in the melt. Hence, the glass phase within such heterogeneously entrapped, vapor-rich MI records the volatile concentrations of the melt at the time of trapping. These numerical modeling results suggest that heterogeneously entrapped MI containing large vapor bubbles represent amenable samples for constraining pre-eruptive volatile concentrations of subvolcanic melts.

Thermodynamic Properties of Dimethyl Carbonatea)

NASA Astrophysics Data System (ADS)

Zhou, Yong; Wu, Jiangtao; Lemmon, Eric W.

2011-12-01

A thermodynamic property formulation for dimethyl carbonate has been developed with the use of available experimental thermodynamic property data. The equation of state was developed with multiproperty fitting methods involving pressure-density-temperature (pρT), heat capacity, vapor pressure, and saturated-liquid density data. The equation of state conforms to the Maxwell criterion for two-phase liquid-vapor equilibrium states, and is valid for temperatures from the triple-point temperature (277.06 ± 0.63) K to 600 K, for pressures up to 60 MPa, and for densities up to 12.12 mol dm-3. The extrapolation behavior of the equation of state at low and high temperatures and pressures is reasonable. The uncertainties (k = 2, indicating a 95% confidence level) of the equation of state in density are 0.05% for saturated-liquid states below 350 K, rising to 0.1% in the single phase between 278 K and 400 K at pressures up to 60 MPa. Due to the lack of reliable data outside this region, the estimated uncertainties increase to 0.5% to 1% in the vapor and critical regions. The uncertainties in vapor pressure are 0.6% from 310 K to 400 K, and increase to 1% at higher temperatures and to 2% at lower temperatures due to a lack of experimental data. The uncertainty in isobaric heat capacity and speed of sound in the liquid phase at saturation or atmospheric pressure is 0.5% from 280 K to 335 K. The uncertainties are higher for all properties in the critical region. Detailed comparisons between experimental and calculated data, and an analysis of the equation, have been performed.

Non-closure of the surface energy balance explained by phase difference between vertical velocity and scalars of large atmospheric eddies

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

Gao, Zhongming; Liu, Heping; Katul, Gabriel G.

It is now accepted that large-scale turbulent eddies impact the widely reported non-closure of the surface energy balance when latent and sensible heat fluxes are measured using the eddy covariance method in the atmospheric surface layer (ASL). However, a mechanistic link between large eddies and non-closure of the surface energy balance remains a subject of inquiry. Here, measured 10 Hz time series of vertical velocity, air temperature, and water vapor density collected in the ASL are analyzed for conditions where entrainment and/or horizontal advection separately predominate. The series are decomposed into small- and large- eddies based on a frequency cutoffmore » and their contributions to turbulent fluxes are analyzed. Phase difference between vertical velocity and water vapor density associated with large eddies reduces latent heat fluxes, especially in conditions where advection prevails. Furthermore, enlarged phase difference of large eddies linked to entrainment or advection occurrence leads to increased residuals of the surface energy balance.« less

Non-closure of the surface energy balance explained by phase difference between vertical velocity and scalars of large atmospheric eddies

DOE PAGES

Gao, Zhongming; Liu, Heping; Katul, Gabriel G.; ...

2017-03-16

It is now accepted that large-scale turbulent eddies impact the widely reported non-closure of the surface energy balance when latent and sensible heat fluxes are measured using the eddy covariance method in the atmospheric surface layer (ASL). However, a mechanistic link between large eddies and non-closure of the surface energy balance remains a subject of inquiry. Here, measured 10 Hz time series of vertical velocity, air temperature, and water vapor density collected in the ASL are analyzed for conditions where entrainment and/or horizontal advection separately predominate. The series are decomposed into small- and large- eddies based on a frequency cutoffmore » and their contributions to turbulent fluxes are analyzed. Phase difference between vertical velocity and water vapor density associated with large eddies reduces latent heat fluxes, especially in conditions where advection prevails. Furthermore, enlarged phase difference of large eddies linked to entrainment or advection occurrence leads to increased residuals of the surface energy balance.« less

Simulation of vaporization in low fluence nanosecond laser ablation of aluminum alloy

NASA Astrophysics Data System (ADS)

Song, Chaoqun; Dong, Shiyun; Yan, Shixing; Li, Enzhong; Xu, Binshi; He, Peng

2018-03-01

This paper presents a multi-phase flow model for the nanosecond laser ablation of aluminum alloy at a low fluence based on finite volume method, considering gravity, recoil pressure, buoyancy and surface tension to describe vaporization. Actual morphology of ablation crater was measured by a laser scanning confocal microscope to verify the model. Results show that vaporization is the main ablation mechanism for 100ns laser ablation at low fluences, and the peak temperature is only 50% of critical temperature. Both the experimental and calculated crater have a wall-like bulge around the rim, as a result of impact of recoil pressure and resolidification of pushed liquid metal. The calculated depth and diameter of crater are in good agreement with the corresponding experimental measurement indicating the feasibility of the model.

On the inclusion of alkanes into the monolayer of aliphatic alcohols at the water/alkane vapor interface: a quantum chemical approach.

PubMed

Vysotsky, Yuri B; Fomina, Elena S; Belyaeva, Elena A; Fainerman, Valentin B; Vollhardt, Dieter

2013-02-14

In the framework of the quantum chemical semiempirical PM3 method thermodynamic and structural parameters of the formation and clusterization of aliphatic alcohols C(n)H(2n+1)OH (n(OH) = 8-16) at 298 K at the water/alkane vapor C(n)H(2n+2), (n(CH(3)) = 6-16) interface were calculated. The dependencies of enthalpy, entropy and Gibbs' energy of clusterization per one monomer molecule of 2D films on the alkyl chain length of corresponding alcohols and alkanes, the molar fraction of alkanes in the monolayers and the immersion degree of alcohol molecules into the water phase were shown to be linear or stepwise. The threshold of spontaneous clusterization of aliphatic alcohols at the water/alkane vapor interface was 10-11 carbon atoms at 298 K which is in line with experimental data at the air/water interface. It is shown that the presence of alkane vapor does not influence the process of alcohol monolayer formation. The structure of these monolayers is analogous to those obtained at the air/water interface in agreement with experimental data. The inclusion of alkane molecules into the amphiphilic monolayer at the water/alkane vapor interface is possible for amphiphiles with the spontaneous clusterization threshold at the air/water interface (n(s)(0)) of at least 16 methylene units in the alkyl chain, and it does not depend on the molar fraction of alkanes in the corresponding monolayer. The inclusion of alkanes from the vapor phase into the amphiphilic monolayer also requires that the difference between the alkyl chain lengths of alcohols and alkanes is not larger than n(s)(0) - 15 and n(s)(0) - 14 for the 2D film 1 and 2D film 2, respectively.

Aqueous-phase oxidation of green leaf volatiles by hydroxyl radical as a source of SOA: Product identification from methyl jasmonate and methyl salicylate oxidation

NASA Astrophysics Data System (ADS)

Hansel, Amie K.; Ehrenhauser, Franz S.; Richards-Henderson, Nicole K.; Anastasio, Cort; Valsaraj, Kalliat T.

2015-02-01

Green leaf volatiles (GLVs) are a group of biogenic volatile organic compounds (BVOCs) released into the atmosphere by vegetation. BVOCs produce secondary organic aerosol (SOA) via gas-phase reactions, but little is known of their aqueous-phase oxidation as a source of SOA. GLVs can partition into atmospheric water phases, e.g., fog, mist, dew or rain, and be oxidized by hydroxyl radicals (˙OH). These reactions in the liquid phase also lead to products that have higher molecular weights, increased polarity, and lower vapor pressures, ultimately forming SOA after evaporation of the droplet. To examine this process, we investigated the aqueous, ˙OH-mediated oxidation of methyl jasmonate (MeJa) and methyl salicylate (MeSa), two GLVs that produce aqueous-phase SOA. High performance liquid chromatography/electrospray ionization mass spectrometry (HPLC-ESI-MS) was used to monitor product formation. The oxidation products identified exhibit higher molecular mass than their parent GLV due to either dimerization or the addition of oxygen and hydroxyl functional groups. The proposed structures of potential products are based on mechanistic considerations combined with the HPLC/ESI-MS data. Based on the structures, the vapor pressure and the Henry's law constant were estimated with multiple methods (SPARC, SIMPOL, MPBPVP, Bond and Group Estimations). The estimated vapor pressures of the products identified are significantly (up to 7 orders of magnitude) lower than those of the associated parent compounds, and therefore, the GLV oxidation products may remain as SOA after evaporation of the water droplet. The contribution of the identified oxidation products to SOA formation is estimated based on measured HPLC-ESI/MS responses relative to previous aqueous SOA mass yield measurements.

Beer Law Constants and Vapor Pressures of HgI2 over HgI2(s,l)

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Zhu, Shen; Ramachandran, N.; Burger, A.

2002-01-01

Optical absorption spectra of the vapor phase over HgI2(s,l) were measured at sample temperatures between 349 and 610 K for wavelengths between 200 and 600 nm. The spectra show the samples sublimed congruently into HGI2 without any observed Hg or I2 absorption spectra. The Beer's Law constants for 15 wavelengths between 200 and 440 nm were derived. From these constants the vapor pressure of HgI2, P, was found to be a function of temperature for the liquid and the solid beta-phases: ln P(atm) = -7700/T(K) + 12.462 (liquid phase) and ln P(atm) = -10150/T(K) + 17.026 (beta-phase). The expressions match the enthalpies of vaporization and sublimation of 15.30 and 20.17 kcal/mole respectively, for the liquid and the beta-phase HgI2. The difference in the enthalpies gives an enthalpy of fusion of 4.87 kcal/mole, and the intersection of the two expressions gives a melting point of 537 K.

Vapor-phase exchange of perchloroethene between soil and plants

USGS Publications Warehouse

Struckhoff, G.C.; Burken, J.G.; Schumacher, J.G.

2005-01-01

Tree core concentrations of tetrachloroethylene (perchloroethene, PCE) at the Riverfront Superfund Site in New Haven, MO, were found to mimic the profile of soil phase concentrations. The observed soil-tree core relationship was stronger than that of groundwater PCE to tree core concentrations at the same site. Earlier research has shown a direct, linear relationship between tree core and groundwater concentrations of chlorinated solvents and other organics. Laboratory-scale experiments were performed to elucidate this phenomenon, including determining partitioning coefficients of PCE between plant tissues and air and between plant tissues and water, measured to be 8.1 and 49 L/kg, respectively. The direct relationship of soil to tree core PCE concentrations was hypothesized to be caused by diffusion between tree roots and the soil vapor phase in the subsurface. The central findings of this research are discovering the importance of subsurface vapor-phase transfer for VOCs and uncovering a direct relationship between soil vapor-phase chlorinated solvents and uptake rates that impact contaminant translocation from the subsurface and transfer into the atmosphere. ?? 2005 American Chemical Society.

Transient-pressure analysis in geothermal steam reservoirs with an immobile vaporizing liquid phase

USGS Publications Warehouse

Moench, A.F.; Atkinson, P.G.

1978-01-01

A finite-difference model for the radial horizontal flow of steam through a porous medium is used to evaluate transient-pressure behavior in the presence of an immobile vaporizing or condensing liquid phase. Graphs of pressure drawdown and buildup in terms of dimensionless pressure and time are obtained for a well discharging steam at a constant mass flow rate for a specified time. The assumptions are made that the steam is in local thermal equilibrium with the reservoir rocks, that temperature changes are due only to phase change, and that effects of vapor-pressure lowering are negligible. Computations show that when a vaporizing liquid phase is present the pressure drawdown exhibits behavior similar to that observed in noncondensable gas reservoirs, but delayed in time. A theoretical analysis allows for the computation of this delay and demonstrates that it is independent of flow geometry. The response that occurs upon pressure buildup is markedly different from that in a noncondensable gas system. This result may provide a diagnostic tool for establishing the existence of phase-change phenomena within a reservoir. ?? 1979.

Vapor-liquid phase separator studies

NASA Technical Reports Server (NTRS)

Yuan, S. W. K.; Lee, J. M.; Kim, Y. I.; Hepler, W. A.; Frederking, T. H. K.

1983-01-01

Porous plugs serve as both entropy rejection devices and phase separation components separating the vapor phase on the downstream side from liquid Helium 2 upstream. The liquid upstream is the cryo-reservoir fluid needed for equipment cooling by means of Helium 2, i.e Helium-4 below its lambda temperature in near-saturated states. The topics outlined are characteristic lengths, transport equations and plug results.

Theoretical studies in support of the 3M-vapor transport (PVTOS-) experiments

NASA Technical Reports Server (NTRS)

Rosner, Daniel E.; Keyes, David E.

1989-01-01

Results are reported for a preliminary theoretical study of the coupled mass-, momentum-, and heat-transfer conditions expected within small ampoules used to grow oriented organic solid (OS-) films, by physical vapor transport (PVT) in microgravity environments. It is show that previous studies made restrictive assumptions (e.g., smallness of delta T/T, equality of molecular diffusivities) not valid under PVTOS conditions, whereas the important phenomena of sidewall gas creep, Soret transport of the organic vapor, and large vapor phase supersaturations associated with the large prevailing temperature gradients were not previously considered. Rational estimates are made of the molecular transport properties relevant to copper-phthalocyanine monomeric vapor in a gas mixture containing H2(g) and Xe(g). Efficient numerical methods have been developed and are outlined/illustrated here to making steady axisymmetric gas flow calculations within such ampoules, allowing for realistic realistic delta T/T(sub)w-values, and even corrections to Navier-Stokes-Fourier 'closure' for the governing continuum differential equations. High priority follow-on studies are outlined based on these new results.

A composite phase diagram of structure H hydrates using Schreinemakers' geometric approach

USGS Publications Warehouse

Mehta, A.P.; Makogon, T.Y.; Burruss, R.C.; Wendlandt, R.F.; Sloan, E.D.

1996-01-01

A composite phase diagram is presented for Structure H (sH) clathrate hydrates. In this work, we derived the reactions occurring among the various phases along each four-phase (Ice/Liquid water, liquid hydrocarbon, vapor, and hydrate) equilibrium line. A powerful method (though seldom used in chemical engineering) for multicomponent equilibria developed by Schreinemakers is applied to determine the relative location of all quadruple (four-phase) lines emanating from three quintuple (five-phase) points. Experimental evidence validating the approximate phase diagram is also provided. The use of Schreinemakers' rules for the development of the phase diagram is novel for hydrates, but these rules may be extended to resolve the phase space of other more complex systems commonly encountered in chemical engineering.

An instrument for in situ coherent x-ray studies of metal-organic vapor phase epitaxy of III-nitrides

DOE PAGES

Ju, Guangxu; Highland, Matthew J.; Yanguas-Gil, Angel; ...

2017-03-21

Here, we describe an instrument that exploits the ongoing revolution in synchrotron sources, optics, and detectors to enable in situ studies of metal-organic vapor phase epitaxy (MOVPE) growth of III-nitride materials using coherent x-ray methods. The system includes high-resolution positioning of the sample and detector including full rotations, an x-ray transparent chamber wall for incident and diffracted beam access over a wide angular range, and minimal thermal sample motion, giving the sub-micron positional stability and reproducibility needed for coherent x-ray studies. The instrument enables surface x-ray photon correlation spectroscopy, microbeam diffraction, and coherent diffraction imaging of atomic-scale surface and filmmore » structure and dynamics during growth, to provide fundamental understanding of MOVPE processes.« less

Post-Dryout Heat Transfer to a Refrigerant Flowing in Horizontal Evaporator Tubes

NASA Astrophysics Data System (ADS)

Mori, Hideo; Yoshida, Suguru; Kakimoto, Yasushi; Ohishi, Katsumi; Fukuda, Kenichi

Studies of the post-dryout heat transfer were made based on the experimental data for HFC-134a flowing in horizontal smooth and spiral1y grooved (micro-fin) tubes and the characteristics of the post-dryout heat transfer were c1arified. The heat transfer coefficient at medium and high mass flow rates in the smooth tube was lower than the single-phase heat transfer coefficient of the superheated vapor flow, of which mass flow rate was given on the assumption that the flow was in a thermodynamic equilibrium. A prediction method of post-dryout heat transfer coefficient was developed to reproduce the measurement satisfactorily for the smooth tube. The post dryout heat transfer in the micro-fin tube can be regarded approximately as a superheated vapor single-phase heat transfer.

First-order wetting transition at a liquid-vapor interface

NASA Technical Reports Server (NTRS)

Schmidt, J. W.; Moldover, M. R.

1983-01-01

Evidence from reflectance and contact angle measurements is presented that three-phase mixtures of i-C3H7OH-C7F14 exhibit a first-order wetting phase transition at the liquid-vapor interface at 38 C. Equilibration phenomena support this interpretation. Ellipsometry was used to measure the apparent thickness of the intruding layer in the three-phase mixture. At temperatures slightly above the wetting temperature T(w), the intruding layer's thickness is several hundred angstroms and its variation with temperature is extremely weak. Below T(w), three-phase contact can occur between the vapor and both the upper and lower liquid phases; one of the angles which characterizes this contact has a very simple temperature dependence. The thickness of the intruding layer, monitored as the solutions approached equilibrium, is found to depend quite weakly on the height spanned by the upper liquid phase in the vicinity of a first-order wetting transition.

Determination of Methane Hydrate Solubility in the Absence of Vapor Phase by in-situ Raman Spectroscopy

NASA Astrophysics Data System (ADS)

Lu, W.; Chou, I.; Burruss, R.

2006-12-01

Prediction of the occurrence, distribution, and evolution of methane hydrate in porous marine sediments requires information on solubilities of methane hydrate in water. Solubilities of methane hydrate in the presence of a vapor phase are well established, but those in the absence of a vapor phase are not well defined with differences up to 30%. We have measured methane concentrations in pure water in equilibrium with sI methane hydrate, in the absence of vapor phase, by in-situ Raman spectroscopy at temperatures (T) from 2 to 20 (± 0.3) °C and pressures (P) at 10, 20, 30, and 40 (± 0.4%) MPa. Methane hydrate was synthesized in a high-pressure capillary optical cell (Chou et al., 2005; Advances in High-Pressure Technology for Geophysical Applications. Ed. J. Chen et al., Chapter 24, p. 475, Elsevier). A small quantity of methane was first loaded in an evacuated cell and then pressurized by water. Hydrate crystals were formed near the liquid-vapor interface near the enclosed end of the optical tube at room T, and were then placed at the center of a USGS-type heating-cooling stage. By adjusting sample P and T, the crystals went through dissolution-formation cycles three to four times in three days until the vapor phase was completely consumed and several crystals (typically 40 x 40 x 10 μm) were formed. These crystals were located at about 200 μm from the enclosed end and were about 20 to 40 μm from each other. Raman spectra were collected for the liquid phase adjacent to hydrate crystals near the enclosed end of the tube. A volumetric decrease in crystal size was observed away from the sampling spot; however, no such volumetric decrease was observed in or near the sampling spot. Therefore, equilibrium was likely established locally within the sampling area. The results are represented by the following linear isobaric equations: 10 MPa: ln [X(CH4)] = 0.06175 T - 6.79507; r2 = 0.9991 (n = 6) 20 MPa: ln [X(CH4)] = 0.06170 T - 6.82816; r2 = 0.9985 (n = 6) 30 MPa: ln [X(CH4)] = 0.06186 T - 6.87463; r2 = 0.9971 (n = 10) 40 MPa: ln [X(CH4)] = 0.06147 T - 6.95384; r2 = 0.9983 (n = 22), where X(CH4) is the mole fraction of CH4 in solution and n is the number of observations. These results are in good agreement with measurements by Servio and Englezos (2002, J. Chem. Eng. Data., 47, p. 87) and Kim et al. (2003, Ind. Eng. Chem. Res., 42, p. 2409) and predictions by Glew et al. (2003, Can. J. of Chem., 81, p.1443). However, our solubilities are about 10 to 30% higher than those measured by Yang et al. (2001, Fluid Phase Equilibria, 185, p. 53) and those predicted by Davie et al. (2004, Marine Geol., 203, p. 177) and Zhang and Xu (2003, Earth and Planet. Sci. Lett., 213, p. 133). It should be noted that our solubilities are minimum values if an equilibrium state was not reached during our measurements. When compared with previous direct sampling method, the advantages of our method include: (1) the use of in-situ Raman signals for methane concentration measurements eliminates possible uncertainty caused by pressure drops during sampling; (2) simple and efficient; and (3) high-pressure data can be obtained without safety concern.

Heteroepitaxial growth of 3-5 semiconductor compounds by metal-organic chemical vapor deposition for device applications

NASA Technical Reports Server (NTRS)

Collis, Ward J.; Abul-Fadl, Ali

1988-01-01

The purpose of this research is to design, install and operate a metal-organic chemical vapor deposition system which is to be used for the epitaxial growth of 3-5 semiconductor binary compounds, and ternary and quaternary alloys. The long-term goal is to utilize this vapor phase deposition in conjunction with existing current controlled liquid phase epitaxy facilities to perform hybrid growth sequences for fabricating integrated optoelectronic devices.

Evidence for extreme partitioning of copper into a magmatic vapor phase.

PubMed

Lowenstern, J B; Mahood, G A; Rivers, M L; Sutton, S R

1991-06-07

The discovery of copper sulfides in carbon dioxide- and chlorine-bearing bubbles in phenocryst-hosted melt inclusions shows that copper resides in a vapor phase in some shallow magma chambers. Copper is several hundred times more concentrated in magmatic vapor than in coexisting pantellerite melt. The volatile behavior of copper should be considered when modeling the volcanogenic contribution of metals to the atmosphere and may be important in the formation of copper porphyry ore deposits.

Large eddy simulation of hydrodynamic cavitation

NASA Astrophysics Data System (ADS)

Bhatt, Mrugank; Mahesh, Krishnan

2017-11-01

Large eddy simulation is used to study sheet to cloud cavitation over a wedge. The mixture of water and water vapor is represented using a homogeneous mixture model. Compressible Navier-Stokes equations for mixture quantities along with transport equation for vapor mass fraction employing finite rate mass transfer between the two phases, are solved using the numerical method of Gnanaskandan and Mahesh. The method is implemented on unstructured grid with parallel MPI capabilities. Flow over a wedge is simulated at Re = 200 , 000 and the performance of the homogeneous mixture model is analyzed in predicting different regimes of sheet to cloud cavitation; namely, incipient, transitory and periodic, as observed in the experimental investigation of Harish et al.. This work is supported by the Office of Naval Research.

Procedure 5 Quality Assurance Requirements For Vapor Phase Mercury Continuous Emissions Monitoring Systems And Sorbent Trap Monitoring Systems Used For Compliance Determination At Stationary Sources

EPA Pesticide Factsheets

Promulgated quality assurance Procedure 5 Quality Assurance Requirements For Vapor Phase Mercury Continuous Emissions Monitoring Systems And Sorbent Trap Monitoring Systems Used For Compliance Determination At Stationary Sources

Polysulfide intercalated layered double hydroxides for metal capture applications

DOEpatents

Kanatzidis, Mercouri G.; Ma, Shulan

2017-04-04

Polysulfide intercalated layered double hydroxides and methods for their use in vapor and liquid-phase metal capture applications are provided. The layered double hydroxides comprise a plurality of positively charged host layers of mixed metal hydroxides separated by interlayer spaces. Polysulfide anions are intercalated in the interlayer spaces.

Method of lift-off patterning thin films in situ employing phase change resists

DOEpatents

Bahlke, Matthias Erhard; Baldo, Marc A; Mendoza, Hiroshi Antonio

2014-09-23

Method for making a patterned thin film of an organic semiconductor. The method includes condensing a resist gas into a solid film onto a substrate cooled to a temperature below the condensation point of the resist gas. The condensed solid film is heated selectively with a patterned stamp to cause local direct sublimation from solid to vapor of selected portions of the solid film thereby creating a patterned resist film. An organic semiconductor film is coated on the patterned resist film and the patterned resist film is heated to cause it to sublime away and to lift off because of the phase change.

Mid-infrared laser-absorption diagnostic for vapor-phase fuel mole fraction and liquid fuel film thickness

NASA Astrophysics Data System (ADS)

Porter, J. M.; Jeffries, J. B.; Hanson, R. K.

2011-02-01

A novel two-wavelength mid-infrared laser-absorption diagnostic has been developed for simultaneous measurements of vapor-phase fuel mole fraction and liquid fuel film thickness. The diagnostic was demonstrated for time-resolved measurements of n-dodecane liquid films in the absence and presence of n-decane vapor at 25°C and 1 atm. Laser wavelengths were selected from FTIR measurements of the C-H stretching band of vapor n-decane and liquid n-dodecane near 3.4 μm (3000 cm-1). n-Dodecane film thicknesses <20 μm were accurately measured in the absence of vapor, and simultaneous measurements of n-dodecane liquid film thickness and n-decane vapor mole fraction (300 ppm) were measured with <10% uncertainty for film thicknesses <10 μm. A potential application of the measurement technique is to provide accurate values of vapor mole fraction in combustion environments where strong absorption by liquid fuel or oil films on windows make conventional direct absorption measurements of the gas problematic.

The gas phase emitter effect of lanthanum within ceramic metal halide lamps and its dependence on the La vapor pressure and operating frequency

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

Ruhrmann, C.; Hoebing, T.; Bergner, A.

2015-08-07

The gas phase emitter effect increases the lamp lifetime by lowering the work function and, with it, the temperature of the tungsten electrodes of metal halide lamps especially for lamps in ceramic vessels due to their high rare earth pressures. It is generated by a monolayer on the electrode surface of electropositive atoms of certain emitter elements, which are inserted into the lamp bulb by metal iodide salts. They are vaporized, dissociated, ionized, and deposited by an emitter ion current onto the electrode surface within the cathodic phase of lamp operation with a switched-dc or ac-current. The gas phase emittermore » effect of La and the influence of Na on the emitter effect of La are studied by spatially and phase-resolved pyrometric measurements of the electrode tip temperature, La atom, and ion densities by optical emission spectroscopy as well as optical broadband absorption spectroscopy and arc attachment images by short time photography. An addition of Na to the lamp filling increases the La vapor pressure within the lamp considerably, resulting in an improved gas phase emitter effect of La. Furthermore, the La vapor pressure is raised by a heating of the cold spot. In this way, conditions depending on the La vapor pressure and operating frequency are identified, at which the temperature of the electrodes becomes a minimum.« less

MICRO- AND NANOSCALE MEASUREMENT METHODS FOR PHASE CHANGE HEAT TRANSFER ON PLANAR AND STRUCTURED SURFACES

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

Buongiorno, J; Cahill, DG; Hidrovo, CH

2014-07-23

In this opinion piece, we discuss recent advances in experimental methods for characterizing phase change heat transfer. We begin with a survey of techniques for high-resolution measurements of temperature and heat flux at the solid surface and in the working fluid. Next, we focus on diagnostic tools for boiling heat transfer and describe techniques for visualizing the temperature and velocity fields, as well as measurements at the single bubble level. Finally, we discuss techniques to probe the kinetics of vapor formation within a few molecular layers of the interface. We conclude with our outlook for future progress in experimental methodsmore » for phase change heat transfer.« less

Nanostructures produced by phase-separation during growth of (III-V).sub.1-x(IV.sub.2).sub.x alloys

DOEpatents

Norman, Andrew G [Evergreen, CO; Olson, Jerry M [Lakewood, CO

2007-06-12

Nanostructures (18) and methods for production thereof by phase separation during metal organic vapor-phase epitaxy (MOVPE). An embodiment of one of the methods may comprise providing a growth surface in a reaction chamber and introducing a first mixture of precursor materials into the reaction chamber to form a buffer layer (12) thereon. A second mixture of precursor materials may be provided into the reaction chamber to form an active region (14) on the buffer layer (12), wherein the nanostructure (18) is embedded in a matrix (16) in the active region (14). Additional steps are also disclosed for preparing the nanostructure (18) product for various applications.

Thermochemical Studies of Epoxides and Related Compounds

PubMed Central

Morgan, Kathleen M.; Ellis, Jamie A.; Lee, Joseph; Fulton, Ashley; Wilson, Shavonda L.; Dupart, Patrick S.; Dastoori, Rosanna

2013-01-01

Gas phase heats of formation for the our butene oxide isomers are reported. They were obtained by measuring the condensed-phase heat of reduction to the corresponding alcohol using reaction calorimetry. Heats of vaporization were determined, and allow gas-phase heats of formation to be obtained. The experimental measurements are compared to calculations obtained using a variety of computational methods. Overall, the G3 and CBS-APNO methods agree quite well with the experimental data. The influence of alkyl substituents on epoxide stability is discussed. Comparisons to alkenes, cyclopropanes, aziridines, thiiranes and phosphiranes are also made. Isodesmic-type reactions were used to determine strain energies of the epoxides and related compounds with various substituents. PMID:23551240

Irradiation of fish fillets: Relation of vapor phase reactions to storage quality

USGS Publications Warehouse

Spinelli, J.; Dollar, A.M.; Wedemeyer, G.A.; Gallagher, E.C.

1969-01-01

Fish fillets irradiated under air, nitrogen, oxygen, or carbon dioxide atmospheres developed rancidlike flavors when they were stored at refrigerated temperatures. Packing and irradiating under vacuum or helium prevented development of off-flavors during storage.Significant quantities of nitrate and oxidizing substances were formed when oxygen, nitrogen, or air were present in the vapor or liquid phases contained in a Pyrex glass model system exposed to ionizing radiation supplied by a 60Co source. It was demonstrated that the delayed flavor changes that occur in stored fish fillets result from the reaction of vapor phase radiolysis products and the fish tissue substrates.

VAPOR PRESSURES, LIQUID MOLAR VOLUMES, VAPOR NON- IDEALITIES, AND CRITICAL PROPERTIES OF SOME FLUORINATED ETHERS: CF3OCF2OCF3, CF3OCF2 CF2H, c-CF2CF2CF2O, CF3OCF2H, AND CF3OCH3; AND OF CCl3F AND CF2ClH

EPA Science Inventory

Vapor pressures, compressibilities, expansivities, and molar volumes of the liquid phase have been measured between room temperature and the critical temperature for a series of fluorinated ethers: CF3OCF2OCF3, CF3OCF2CF2H, c-CF2CF2CF2O, CF3OCF2H, and CF3OCH3. Vapor-phase non-ide...

Vapor-Liquid Equilibrium in the Mixture 1,1-Difluoroethane C2H4F2 + C4H8 2-Methylpropene (EVLM1131, LB5730_E)

NASA Astrophysics Data System (ADS)

Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Vapor-Liquid Equilibrium in the Mixture 1,1-Difluoroethane C2H4F2 + C4H8 2-Methylpropene (EVLM1131, LB5730_E)' providing data from direct measurement of pressure and mole fraction in vapor phase at variable mole fraction in liquid phase and constant temperature.

Method for rapid, controllable growth and thickness, of epitaxial silicon films

DOEpatents

Wang, Qi [Littleton, CO; Stradins, Paul [Golden, CO; Teplin, Charles [Boulder, CO; Branz, Howard M [Boulder, CO

2009-10-13

A method of producing epitaxial silicon films on a c-Si wafer substrate using hot wire chemical vapor deposition by controlling the rate of silicon deposition in a temperature range that spans the transition from a monohydride to a hydrogen free silicon surface in a vacuum, to obtain phase-pure epitaxial silicon film of increased thickness is disclosed. The method includes placing a c-Si substrate in a HWCVD reactor chamber. The method also includes supplying a gas containing silicon at a sufficient rate into the reaction chamber to interact with the substrate to deposit a layer containing silicon thereon at a predefined growth rate to obtain phase-pure epitaxial silicon film of increased thickness.

Analysis of the GOES 6.7 micrometer channel observations during FIRE 2

NASA Technical Reports Server (NTRS)

Soden, B. J.; Ackerman, S. A.; Starr, David

1993-01-01

Clouds form in moist environments. FIRE Phase II Cirrus Implementation Plan (August, 1990) noted the need for mesoscale measurements of upper tropospheric water vapor content. These measurements are needed for initializing and verifying numerical weather prediction models and for describing the environment in which cirrus clouds develop and dissipate. Various instruments where deployed to measure the water vapor amounts of the upper troposphere during FIRE II (e.g. Raman lidar, CLASS sonds and new cryogenic frost hygrometer on-board aircraft). The formation, maintenance and dissipation of cirrus clouds involve the time variation of the water budget of the upper troposphere. The GOES 6.7 mu m radiance observations are sensitive to the upper tropospheric relative humidity, and therefore proved extremely valuable in planning aircraft missions during the field phase of FIRE II. Warm 6.7 mu m equivalent black body temperatures indicate a relatively dry upper troposphere and were associated with regions generally free of cirrus clouds. Regions that were colder, implying more moisture was available may or may not have had cirrus clouds present. Animation of a time sequence of 6.7 mu m images was particularly useful in planning various FIRE missions. The 6.7 mu m observations can also be very valuable in the verification of model simulations and describing the upper tropospheric synoptic conditions. A quantitative analysis of the 6.7 mu m measurement is required to successfully incorporate these satellite observations into describing the upper tropospheric water vapor budget. Recently, Soden and Bretherton (1993) have proposed a method of deriving an upper tropospheric humidity based on observations from the GOES 6.7 mu m observations. The method is summarized in the next section. In their paper they compare their retrieval method to radiance simulations. Observations were also compared to ECMWF model output to assess the model performance. The FIRE experiment provides a unique opportunity to further verify the GOES upper tropospheric relative humidity retrieval scheme by providing (1) aircraft observations to cross-validate the calibration of the GOES 6.7 mu m channel, (2) accurate upper tropospheric water vapor concentrations for verification, and (3) veritical variability of upper tropospheric water vapor.

EFFECT OF VAPOR-PHASE BIOREACTOR OPERATION ON BIOMASS ACCUMULATION, DISTRIBUTION, AND ACTIVITY. (R826168)

EPA Science Inventory

Excess biomass accumulation and activity loss in vapor-phase bioreactors (VPBs) can lead to unreliable long-term operation. In this study, temporal and spatial variations in biomass accumulation, distribution and activity in VPBs treating toluene-contaminated air were monitored o...

Acoustically-Enhanced Direct Contact Vapor Bubble Condensation

NASA Astrophysics Data System (ADS)

Boziuk, Thomas; Smith, Marc; Glezer, Ari

2017-11-01

Rate-limited, direct contact vapor condensation of vapor bubbles that are formed by direct steam injection through a nozzle in a quiescent subcooled liquid bath is accelerated using ultrasonic (MHz-range) actuation. A submerged, low power actuator produces an acoustic beam whose radiation pressure deforms the liquid-vapor interface, leading to the formation of a liquid spear that penetrates the vapor bubble to form a vapor torus with a significantly larger surface area and condensation rate. Ultrasonic focusing along the spear leads to the ejection of small, subcooled droplets through the vapor volume that impact the vapor-liquid interface and further enhance the condensation. High-speed Schlieren imaging of the formation and collapse of the vapor bubbles in the absence and presence of actuation shows that the impulse associated with the collapse of the toroidal volume leads to the formation of a turbulent vortex ring in the liquid phase. Liquid motions near the condensing vapor volume are investigated in the absence and presence of acoustic actuation using high-magnification PIV and show the evolution of a liquid jet through the center of the condensing toroidal volume and the formation and advection of vortex ring structures whose impulse appear to increase with temperature difference between the liquid and vapor phases. High-speed image processing is used to assess the effect of the actuation on the temporal and spatial variations in the characteristic scales and condensation rates of the vapor bubbles.

Space cryogenics components based on the thermomechanical effect - Vapor-liquid phase separation

NASA Technical Reports Server (NTRS)

Yuan, S. W. K.; Frederking, T. H. K.

1989-01-01

Applications of the thermomechanical effect has been qualified including incorporation in large-scale space systems in the area of vapor-liquid phase separation (VLPS). The theory of the porous-plug phase separator is developed for the limit of a high thermal impedance of the solid-state grains. Extensions of the theory of nonlinear turbulent flow are presented based on experimental results.

Chemical sensing thresholds for mine detection dogs

NASA Astrophysics Data System (ADS)

Phelan, James M.; Barnett, James L.

2002-08-01

Mine detection dogs have been found to be an effective method to locate buried landmines. The capabilities of the canine olfaction method are from a complex combination of training and inherent capacity of the dog for odor detection. The purpose of this effort was to explore the detection thresholds of a limited group of dogs that were trained specifically for landmine detection. Soils were contaminated with TNT and 2,4-DNT to develop chemical vapor standards to present to the dogs. Soils contained ultra trace levels of TNT and DNT, which produce extremely low vapor levels. Three groups of dogs were presented the headspace vapors from the contaminated soils in work environments for each dog group. One positive sample was placed among several that contained clean soils and, the location and vapor source (strength, type) was frequently changed. The detection thresholds for the dogs were determined from measured and extrapolated dilution of soil chemical residues and, estimated soil vapor values using phase partitioning relationships. The results showed significant variances in dog sensing thresholds, where some dogs could sense the lowest levels and others had trouble with even the highest source. The remarkable ultra-trace levels detectable by the dogs are consistent with the ultra-trace chemical residues derived from buried landmines; however, poor performance may go unnoticed without periodic challenge tests at levels consistent with performance requirements.

Behavior and impact of sulfur incorporation in Zinc Oxysulfide alloy grown by metal organic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Ma, Jingrui; Tang, Kun; Mao, Haoyuan; Ye, Jiandong; Zhu, Shunming; Xu, Zhonghua; Yao, Zhengrong; Gu, Shulin; Zheng, Youdou

2018-03-01

Highly mismatched ZnO1-xSx:N alloy films with various x were deposited on c-plane sapphire substrates by a near-equilibrium method, metal-organic chemical vapor deposition. The sulfur concentration in the films could be tuned by changing the flow rate of H2S during the growth process. The films that could maintain single phase have an upper limit for x ∼ 0.15, which is smaller than the x values obtained from other non-equilibrium-grown samples (x ∼ 0.23). When x > 0.15, phases other than the wurtzite ZnO (W-ZnO) one appeared. Those phases were ascribed to the sulfur-diluted W-ZnO like phase, low x W-ZnO like phase, and high x W-ZnS like phase. The S contents in different phase has been determined by using Vegard's law and the X-ray photoelectron spectroscopy. Meanwhile, the compositional dependence of the bandgap energy in the ZnO1-xSx alloyed material has been investigated and studied comparing with other reported results. The dispersed bowing parameter b and the mechanism of the phase separation in samples grown by both the near-equilibrium method and the non-equilibrium one have also been discussed based on the difference of the atomic radius and electronegativity of the oxygen and sulfur atoms. Furthermore, the Raman and photoluminescence spectra have shown that the sulfur incorporation may suppress zinc interstitials related defects, while the oxygen vacancies related defects may be easily formed at the same time. These results indicate that ZnO1-xSx films could be beneficial to the realization of p-type doping in ZnO, although no obvious p-type characteristic has been attained in the work yet.

Vapor Wall Deposition in Chambers: Theoretical Considerations

NASA Astrophysics Data System (ADS)

McVay, R.; Cappa, C. D.; Seinfeld, J.

2014-12-01

In order to constrain the effects of vapor wall deposition on measured secondary organic aerosol (SOA) yields in laboratory chambers, Zhang et al. (2014) varied the seed aerosol surface area in toluene oxidation and observed a clear increase in the SOA yield with increasing seed surface area. Using a coupled vapor-particle dynamics model, we examine the extent to which this increase is the result of vapor wall deposition versus kinetic limitations arising from imperfect accommodation of organic species into the particle phase. We show that a seed surface area dependence of the SOA yield is present only when condensation of vapors onto particles is kinetically limited. The existence of kinetic limitation can be predicted by comparing the characteristic timescales of gas-phase reaction, vapor wall deposition, and gas-particle equilibration. The gas-particle equilibration timescale depends on the gas-particle accommodation coefficient αp. Regardless of the extent of kinetic limitation, vapor wall deposition depresses the SOA yield from that in its absence since vapor molecules that might otherwise condense on particles deposit on the walls. To accurately extrapolate chamber-derived yields to atmospheric conditions, both vapor wall deposition and kinetic limitations must be taken into account.

Phase equilibria of H2SO4, HNO3, and HCl hydrates and the composition of polar stratospheric clouds

NASA Technical Reports Server (NTRS)

Wooldridge, Paul J.; Zhang, Renyi; Molina, Mario J.

1995-01-01

Thermodynamic properties and phase equilibria behavior for the hydrates and coexisting pairs of hydrates of common acids which exist in the stratosphere are assembled from new laboratory measurements and standard literature data. The analysis focuses upon solid-vapor and solid-solid-vapor equilibria at temperatures around 200 K and includes new calorimetric and vapor pressure data. Calculated partial pressures versus 1/T slopes for the hydrates and coexisting hydrates agree well with experimental data where available.

Phase Equilibria of H2SO4, HNO3, and HCl Hydrates and the Composition of Polar Stratospheric Clouds

NASA Technical Reports Server (NTRS)

Wooldridge, Paul J.; Zhang, Renyi; Molina, Mario J.

1995-01-01

Thermodynamic properties and phase equilibria behavior for the hydrates and coexisting pairs of hydrates of common acids which exist in the stratosphere are assembled from new laboratory measurements and standard literature data. The analysis focuses upon solid-vapor and solid-solid-vapor equilibria at temperatures around 200 K and includes new calorimetric and vapor pressure data. Calculated partial pressures versus 1/T slopes for the hydrates and coexisting hydrates agree well with experimental data where available.

Seeded Physical Vapor Transport of Cadmium-Zinc Telluride Crystals: Growth and Characterization

NASA Technical Reports Server (NTRS)

Palosz, W.; George, M. A.; Collins, E. E.; Chen, K.-T.; Zhang, Y.; Burger, A.

1997-01-01

Crystals of Cd(1-x)Zn(x)Te with x = 0.2 and 40 g in weight were grown on monocrystalline cadmium-zinc telluride seeds by closed-ampoule physical vapor transport with or without excess (Cd + Zn) in the vapor phase. Two post-growth cool-down rates were used. The crystals were characterized using low temperature photoluminescence, atomic force microscopy, chemical etching, X-ray diffraction and electrical measurements. No formation of a second, ZnTe-rich phase was observed.

Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films

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

Sutter-Fella, Carolin M.; Li, Yanbo; Cefarin, Nicola

Organo-lead halide perovskites have recently attracted great interest for potential applications in thin-film photovoltaics and optoelectronics. Herein, we present a protocol for the fabrication of this material via the low-pressure vapor assisted solution process (LP-VASP) method, which yields ~19% power conversion efficiency in planar heterojunction perovskite solar cells. First, we report the synthesis of methylammonium iodide (CH 3NH 3I) and methylammonium bromide (CH 3NH 3Br) from methylamine and the corresponding halide acid (HI or HBr). Then, we describe the fabrication of pinhole-free, continuous methylammonium-lead halide perovskite (CH 3NH 3PbX 3 with X = I, Br, Cl and their mixture) filmsmore » with the LP-VASP. This process is based on two steps: i) spin-coating of a homogenous layer of lead halide precursor onto a substrate, and ii) conversion of this layer to CH 3NH 3PbI 3-xBr x by exposing the substrate to vapors of a mixture of CH 3NH 3I and CH 3NH 3Br at reduced pressure and 120 °C. Through slow diffusion of the methylammonium halide vapor into the lead halide precursor, we achieve slow and controlled growth of a continuous, pinhole-free perovskite film. The LP-VASP allows synthetic access to the full halide composition space in CH 3NH 3PbI 3-xBr x with 0 ≤ x ≤ 3. Depending on the composition of the vapor phase, the bandgap can be tuned between 1.6 eV ≤ E g ≤ 2.3 eV. In addition, by varying the composition of the halide precursor and of the vapor phase, we can also obtain CH 3NH 3PbI 3-xCl x. Films obtained from the LP-VASP are reproducible, phase pure as confirmed by X-ray diffraction measurements, and show high photoluminescence quantum yield. The process does not require the use of a glovebox.« less

Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films

DOE PAGES

Sutter-Fella, Carolin M.; Li, Yanbo; Cefarin, Nicola; ...

2017-09-08

Organo-lead halide perovskites have recently attracted great interest for potential applications in thin-film photovoltaics and optoelectronics. Herein, we present a protocol for the fabrication of this material via the low-pressure vapor assisted solution process (LP-VASP) method, which yields ~19% power conversion efficiency in planar heterojunction perovskite solar cells. First, we report the synthesis of methylammonium iodide (CH 3NH 3I) and methylammonium bromide (CH 3NH 3Br) from methylamine and the corresponding halide acid (HI or HBr). Then, we describe the fabrication of pinhole-free, continuous methylammonium-lead halide perovskite (CH 3NH 3PbX 3 with X = I, Br, Cl and their mixture) filmsmore » with the LP-VASP. This process is based on two steps: i) spin-coating of a homogenous layer of lead halide precursor onto a substrate, and ii) conversion of this layer to CH 3NH 3PbI 3-xBr x by exposing the substrate to vapors of a mixture of CH 3NH 3I and CH 3NH 3Br at reduced pressure and 120 °C. Through slow diffusion of the methylammonium halide vapor into the lead halide precursor, we achieve slow and controlled growth of a continuous, pinhole-free perovskite film. The LP-VASP allows synthetic access to the full halide composition space in CH 3NH 3PbI 3-xBr x with 0 ≤ x ≤ 3. Depending on the composition of the vapor phase, the bandgap can be tuned between 1.6 eV ≤ E g ≤ 2.3 eV. In addition, by varying the composition of the halide precursor and of the vapor phase, we can also obtain CH 3NH 3PbI 3-xCl x. Films obtained from the LP-VASP are reproducible, phase pure as confirmed by X-ray diffraction measurements, and show high photoluminescence quantum yield. The process does not require the use of a glovebox.« less

Modeling and Real-Time Process Monitoring of Organometallic Chemical Vapor Deposition of III-V Phosphides and Nitrides at Low and High Pressure

NASA Technical Reports Server (NTRS)

Bachmann, K. J.; Cardelino, B. H.; Moore, C. E.; Cardelino, C. A.; Sukidi, N.; McCall, S.

1999-01-01

The purpose of this paper is to review modeling and real-time monitoring by robust methods of reflectance spectroscopy of organometallic chemical vapor deposition (OMCVD) processes in extreme regimes of pressure. The merits of p-polarized reflectance spectroscopy under the conditions of chemical beam epitaxy (CBE) and of internal transmission spectroscopy and principal angle spectroscopy at high pressure are assessed. In order to extend OMCVD to materials that exhibit large thermal decomposition pressure at their optimum growth temperature we have designed and built a differentially-pressure-controlled (DCP) OMCVD reactor for use at pressures greater than or equal to 6 atm. We also describe a compact hard-shell (CHS) reactor for extending the pressure range to 100 atm. At such very high pressure the decomposition of source vapors occurs in the vapor phase, and is coupled to flow dynamics and transport. Rate constants for homogeneous gas phase reactions can be predicted based on a combination of first principles and semi-empirical calculations. The pressure dependence of unimolecular rate constants is described by RRKM theory, but requires variational and anharmonicity corrections not included in presently available calculations with the exception of ammonia decomposition. Commercial codes that include chemical reactions and transport exist, but do not adequately cover at present the kinetics of heteroepitaxial crystal growth.

Intermolecular network analysis of the liquid and vapor interfaces of pentane and water: microsolvation does not trend with interfacial properties.

PubMed

Ghadar, Yasaman; Clark, Aurora E

2014-06-28

Liquid:vapor and liquid:liquid interfaces exhibit complex organizational structure and dynamics at the molecular level. In the case of water and organic solvents, the hydrophobicity of the organic, its conformational flexibility, and compressibility, all influence interfacial properties. This work compares the interfacial tension, width, molecular conformations and orientations at the vapor and aqueous liquid interfaces of two solvents, n-pentane and neopentane, whose varying molecular shapes can lead to significantly different interfacial behavior. Particular emphasis has been dedicated toward understanding how the hydrogen bond network of water responds to the pentane relative to the vapor interface and the sensitivity of the network to the individual pentane isomer and system temperature. Interfacial microsolvation of the immiscible solvents has been examined using graph theoretical methods that quantify the structure and dynamics of microsolvated species (both H2O in C5H12 and C5H12 in H2O). At room temperature, interfacial water at the pentane phase boundary is found to have markedly different organization and dynamics than at the vapor interface (as indicated by the hydrogen bond distributions and hydrogen bond persistence in solution). While the mesoscale interfacial properties (e.g. interfacial tension) are sensitive to the specific pentane isomer, the distribution and persistence of microsolvated species at the interface is nearly identical for both systems, irrespective of temperature (between 273 K and 298 K). This has important implications for understanding how properties defined by the interfacial organization are related to the underlying solvation reactions that drive formation of the phase boundary.

PLGA/PFC particles loaded with gold nanoparticles as dual contrast agents for photoacoustic and ultrasound imaging

NASA Astrophysics Data System (ADS)

Wang, Yan J.; Strohm, Eric M.; Sun, Yang; Niu, Chengcheng; Zheng, Yuanyi; Wang, Zhigang; Kolios, Michael C.

2014-03-01

Phase-change contrast agents consisting of a perfluorocarbon (PFC) liquid core stabilized by a lipid, protein, or polymer shell have been proposed for a variety of clinical applications. Previous work has demonstrated that vaporization can be induced by laser irradiation through optical absorbers incorporated inside the droplet. In this study, Poly-lactide-coglycolic acid (PLGA) particles loaded with PFC liquid and silica-coated gold nanoparticles (GNPs) were developed and characterized using photoacoustic (PA) methods. Microsized PLGA particles were loaded with PFC liquid and GNPs (14, 35, 55nm each with a 20nm silica shell) using a double emulsion method. The PA signal intensity and optical vaporization threshold were investigated using a 375 MHz transducer and a focused 532-nm laser (up to 450-nJ per pulse). The laser-induced vaporization threshold energy decreased with increasing GNP size. The vaporization threshold was 850, 690 and 420 mJ/cm2 for 5μm-sized PLGA particles loaded with 14, 35 and 55 nm GNPs, respectively. The PA signal intensity increased as the laser fluence increased prior to the vaporization event. This trend was observed for all particles sizes. PLGA particles were then incubated with MDA-MB-231 breast cancer cells for 6 hours to investigate passive targeting, and the vaporization of the PLGA particles that were internalized within cells. The PLGA particles passively internalized by MDA cells were visualized via confocal fluorescence imaging. Upon PLGA particle vaporization, bubbles formed inside the cells resulting in cell destruction. This work demonstrates that GNPs-loaded PLGA/PFC particles have potential as PA theranostic agents in PA imaging and optically-triggered drug delivery systems.

Beer Law Constants and Vapor Pressures of HgI2 over HgI2(s,l)

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Zhu, Shen; Ramachandran, N.; Burger, A.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

The optical absorption spectra of the vapor phase over HgI2(s,l) were measured for wavelengths between 200 and 600 nm. The spectra show that the sample sublimed congruently into HgI2 with no Hg or I2 absorption spectrum observed. The Beer's Law constants for 15 wavelengths between 200 and 440 nm were determined. From these constants the vapor pressure of H912, P, was established as a function of temperatures for the liquid and the solid Beta-phases. The expressions correspond to the enthalpies of vaporization and sublimation of 15.30 and 20.17 Kcal/mole, respectively, for the liquid and the Beta-phase HgI2. The difference in the enthalpies gives an enthalpy of fusion of 4.87 Kcal/mole and the intersection of the two expressions gives a melting point of 537 K.

Adsorptive Water Removal from Dichloromethane and Vapor-Phase Regeneration of a Molecular Sieve 3A Packed Bed

PubMed Central

2017-01-01

The drying of dichloromethane with a molecular sieve 3A packed bed process is modeled and experimentally verified. In the process, the dichloromethane is dried in the liquid phase and the adsorbent is regenerated by water desorption with dried dichloromethane product in the vapor phase. Adsorption equilibrium experiments show that dichloromethane does not compete with water adsorption, because of size exclusion; the pure water vapor isotherm from literature provides an accurate representation of the experiments. The breakthrough curves are adequately described by a mathematical model that includes external mass transfer, pore diffusion, and surface diffusion. During the desorption step, the main heat transfer mechanism is the condensation of the superheated dichloromethane vapor. The regeneration time is shortened significantly by external bed heating. Cyclic steady-state experiments demonstrate the feasibility of this novel, zero-emission drying process. PMID:28539701

Plasma Spray-PVD: A New Thermal Spray Process to Deposit Out of the Vapor Phase

NASA Astrophysics Data System (ADS)

von Niessen, Konstantin; Gindrat, Malko

2011-06-01

Plasma spray-physical vapor deposition (PS-PVD) is a low pressure plasma spray technology recently developed by Sulzer Metco AG (Switzerland). Even though it is a thermal spray process, it can deposit coatings out of the vapor phase. The basis of PS-PVD is the low pressure plasma spraying (LPPS) technology that has been well established in industry for several years. In comparison to conventional vacuum plasma spraying (VPS) or low pressure plasma spraying (LPPS), the new proposed process uses a high energy plasma gun operated at a reduced work pressure of 0.1 kPa (1 mbar). Owing to the high energy plasma and further reduced work pressure, PS-PVD is able to deposit a coating not only by melting the feed stock material which builds up a layer from liquid splats but also by vaporizing the injected material. Therefore, the PS-PVD process fills the gap between the conventional physical vapor deposition (PVD) technologies and standard thermal spray processes. The possibility to vaporize feedstock material and to produce layers out of the vapor phase results in new and unique coating microstructures. The properties of such coatings are superior to those of thermal spray and electron beam-physical vapor deposition (EB-PVD) coatings. In contrast to EB-PVD, PS-PVD incorporates the vaporized coating material into a supersonic plasma plume. Owing to the forced gas stream of the plasma jet, complex shaped parts such as multi-airfoil turbine vanes can be coated with columnar thermal barrier coatings using PS-PVD. Even shadowed areas and areas which are not in the line of sight of the coating source can be coated homogeneously. This article reports on the progress made by Sulzer Metco in developing a thermal spray process to produce coatings out of the vapor phase. Columnar thermal barrier coatings made of Yttria-stabilized Zircona (YSZ) are optimized to serve in a turbine engine. This process includes not only preferable coating properties such as strain tolerance and erosion resistance but also the simultaneous coverage of multiple air foils.

Chalcogen Polymers for Completely Solution-Processed Inorganic Photovoltaics

NASA Astrophysics Data System (ADS)

Martin, Trevor R.

Chalcopyrite materials such as CuInSxSe2-x (CISSe), the gallium alloy variant CuInxGa1-xSySe2-y (CIGSSe), and the earth-abundant kesterite material Cu2ZnSnS xSe4-x (CZTSSe) possess a range of properties that are ideally suited for thin-film photovoltaics (PV) applications. Although these materials are beginning to see some commercial success, they are manufactured using complicated and expensive techniques such as high temperature processing, vacuum deposition methods, and vapor-phase reactions. These production methods require an exorbitantly large capital investment to create new manufacturing facilities, which severely hampers the widespread and rapid deployment of these emerging solar energy technologies. This work has focused on developing novel chalcogen polymers to synthesize nanoparticles and produce thin-films for printed photovoltaics applications. This new method provides a pathway towards using chalcogen copolymers to produce these materials via a completely solution-processed, low-temperature fabrication procedure. This technique constitutes one of the first viable means to produce low-bandgap chalcogenides without additional vapor-phase or high-temperature reactions. Therefore, this process can potentially be implemented to rapidly and cheaply manufacture printed chalcopyrite and kesterite photovoltaics.

Numerical investigation of the pseudopotential lattice Boltzmann modeling of liquid-vapor for multi-phase flows

NASA Astrophysics Data System (ADS)

Nemati, Maedeh; Shateri Najaf Abady, Ali Reza; Toghraie, Davood; Karimipour, Arash

2018-01-01

The incorporation of different equations of state into single-component multiphase lattice Boltzmann model is considered in this paper. The original pseudopotential model is first detailed, and several cubic equations of state, the Redlich-Kwong, Redlich-Kwong-Soave, and Peng-Robinson are then incorporated into the lattice Boltzmann model. A comparison of the numerical simulation achievements on the basis of density ratios and spurious currents is used for presentation of the details of phase separation in these non-ideal single-component systems. The paper demonstrates that the scheme for the inter-particle interaction force term as well as the force term incorporation method matters to achieve more accurate and stable results. The velocity shifting method is demonstrated as the force term incorporation method, among many, with accuracy and stability results. Kupershtokh scheme also makes it possible to achieve large density ratio (up to 104) and to reproduce the coexistence curve with high accuracy. Significant reduction of the spurious currents at vapor-liquid interface is another observation. High-density ratio and spurious current reduction resulted from the Redlich-Kwong-Soave and Peng-Robinson EOSs, in higher accordance with the Maxwell construction results.

Vapor Phase Alkyne Coating of Pharmaceutical Excipients: Discrimination Enhancement of Raman Chemical Imaging for Tablets.

PubMed

Yamashita, Mayumi; Sasaki, Hiroaki; Moriyama, Kei

2015-12-01

Raman chemical imaging has become a powerful analytical tool to investigate the crystallographic characteristics of pharmaceutical ingredients in tablet. However, it is often difficult to discriminate some pharmaceutical excipients from each other by Raman spectrum because of broad and overlapping signals, limiting their detailed assessments. To overcome this difficulty, we developed a vapor phase coating method of excipients by an alkyne, which exhibits a distinctive Raman signal in the range of 2100-2300 cm(-1) . We found that the combination of two volatile reagents, propargyl bromide and triethylamine, formed a thin and nonvolatile coating on the excipient and observed the Raman signal of the alkyne at the surface. We prepared alkyne-coated cellulose by this method and formed a tablet. The Raman chemical imaging of the tablet cross-section using the alkyne peak area intensity of 2120 cm(-1) as the index showed a much clearer particle image of cellulose than using the peak area intensity of 1370 cm(-1) , which originated from the cellulose itself. Our method provides an innovative technique to analyze the solid-state characteristics of pharmaceutical excipients in tablets. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Quantification of natural vapor fluxes of trichloroethene in the unsaturated zone at Picatinny Arsenal, New Jersey

USGS Publications Warehouse

Smith, James A.; Tisdale, Amy K.; Cho, H. Jean

1996-01-01

The upward flux of trichloroethene (TCE) vapor through the unsaturated zone above a contaminated, water-table aquifer at Picatinny Arsenal, New Jersey, has been studied under natural conditions over a 12-month period. Vertical gas-phase diffusion fluxes were estimated indirectly by measuring the TCE vapor concentration gradient in the unsaturated zone and using Fick's law to calculate the flux. The total gas-phase flux (e.g., the sum of diffusion and advection fluxes) was measured directly with a vertical flux chamber (VFC). In many cases, the upward TCE vapor flux was several orders of magnitude greater than the upward TCE diffusion flux, suggesting that mechanisms other than steady-state vapor diffusion are contributing to the vertical transport of TCE vapors through the unsaturated zone. The measured total flux of TCE vapor from the subsurface to the atmosphere is approximately 50 kg/yr and is comparable in magnitude to the removal rate of TCE from the aquifer by an existing pump-and-treat system and by discharge into a nearby stream. The net upward flux of TCE is reduced significantly during a storm event, presumably due to the mass transfer of TCE from the soil gas to the infiltrating rainwater and its subsequent downward advection. Several potential problems associated with the measurement of total gas-phase fluxes are discussed.

Heat Pipe Vapor Dynamics. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Issacci, Farrokh

1990-01-01

The dynamic behavior of the vapor flow in heat pipes is investigated at startup and during operational transients. The vapor is modeled as two-dimensional, compressible viscous flow in an enclosure with inflow and outflow boundary conditions. For steady-state and operating transients, the SIMPLER method is used. In this method a control volume approach is employed on a staggered grid which makes the scheme very stable. It is shown that for relatively low input heat fluxes the compressibility of the vapor flow is low and the SIMPLER scheme is suitable for the study of transient vapor dynamics. When the input heat flux is high or the process under a startup operation starts at very low pressures and temperatures, the vapor is highly compressible and a shock wave is created in the evaporator. It is shown that for a wide range of input heat fluxes, the standard methods, including the SIMPLER scheme, are not suitable. A nonlinear filtering technique, along with the centered difference scheme, are then used for shock capturing as well as for the solution of the cell Reynolds-number problem. For high heat flux, the startup transient phase involves multiple shock reflections in the evaporator region. Each shock reflection causes a significant increase in the local pressure and a large pressure drop along the heat pipe. Furthermore, shock reflections cause flow reversal in the evaporation region and flow circulations in the adiabatic region. The maximum and maximum-averaged pressure drops in different sections of the heat pipe oscillate periodically with time because of multiple shock reflections. The pressure drop converges to a constant value at steady state. However, it is significantly higher than its steady-state value at the initiation of the startup transient. The time for the vapor core to reach steady-state condition depends on the input heat flux, the heat pipe geometry, the working fluid, and the condenser conditions. However, the vapor transient time, for an Na-filled heat pipe is on the order of seconds. Depending on the time constant for the overall system, the vapor transient time may be very short. Therefore, the vapor core may be assumed to be quasi-steady in the transient analysis of a heat pipe operation.

Large eddy simulation of cavitating flows

NASA Astrophysics Data System (ADS)

Gnanaskandan, Aswin; Mahesh, Krishnan

2014-11-01

Large eddy simulation on unstructured grids is used to study hydrodynamic cavitation. The multiphase medium is represented using a homogeneous equilibrium model that assumes thermal equilibrium between the liquid and the vapor phase. Surface tension effects are ignored and the governing equations are the compressible Navier Stokes equations for the liquid/vapor mixture along with a transport equation for the vapor mass fraction. A characteristic-based filtering scheme is developed to handle shocks and material discontinuities in non-ideal gases and mixtures. A TVD filter is applied as a corrector step in a predictor-corrector approach with the predictor scheme being non-dissipative and symmetric. The method is validated for canonical one dimensional flows and leading edge cavitation over a hydrofoil, and applied to study sheet to cloud cavitation over a wedge. This work is supported by the Office of Naval Research.

Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice.

PubMed

Murdachaew, Garold; Mundy, Christopher J; Schenter, Gregory K; Laino, Teodoro; Hutter, Jürg

2011-06-16

We have applied an efficient electronic structure approach, the semiempirical self-consistent polarization neglect of diatomic differential overlap (SCP-NDDO) method, previously parametrized to reproduce properties of water clusters by Chang, Schenter, and Garrett [ J. Chem. Phys. 2008 , 128 , 164111 ] and now implemented in the CP2K package, to model ambient liquid water at 300 K (both the bulk and the liquid-vapor interface) and cubic ice at 15 and 250 K. The SCP-NDDO potential retains its transferability and good performance across the full range of conditions encountered in the clusters and the bulk phases of water. In particular, we obtain good results for the density, radial distribution functions, enthalpy of vaporization, self-diffusion coefficient, molecular dipole moment distribution, and hydrogen bond populations, in comparison to experimental measurements. © 2011 American Chemical Society

Vaporization chemistry of hypo-stoichiometric (U,Pu)O 2

NASA Astrophysics Data System (ADS)

Viswanathan, R.; Krishnaiah, M. V.

2001-04-01

Calculations were performed on hypo-stoichiometric uranium plutonium di-oxide to examine its vaporization behavior as a function of O/ M ( M= U+ Pu) ratio and plutonium content. The phase U (1- y) Pu yO z was treated as an ideal solid solution of (1- y)UO 2+ yPuO (2- x) such that x=(2- z)/ y. Oxygen potentials for different desired values of y, z, and temperature were used as the primary input to calculate the corresponding partial pressures of various O-, U-, and Pu-bearing gaseous species. Relevant thermodynamic data for the solid phases UO 2 and PuO (2- x) , and the gaseous species were taken from the literature. Total vapor pressure varies with O/M and goes through a minimum. This minimum does not indicate a congruently vaporizing composition. Vaporization behavior of this system can at best be quasi-congruent. Two quasi-congruently vaporizing compositions (QCVCs) exist, representing the equalities (O/M) vapor=(O/M) mixed-oxide and (U/Pu) vapor=(U/Pu) mixed-oxide, respectively. The (O/M) corresponding to QCVC1 is lower than that corresponding to QCVC2, but very close to the value where vapor pressure minimum occurs. The O/M values of both QCVCs increase with decrease in plutonium content. The vaporization chemistry of this system, on continuous vaporization under dynamic condition, is discussed.

Thermodynamic considerations of the vapor phase reactions in III-nitride metal organic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Sekiguchi, Kazuki; Shirakawa, Hiroki; Chokawa, Kenta; Araidai, Masaaki; Kangawa, Yoshihiro; Kakimoto, Koichi; Shiraishi, Kenji

2017-04-01

We analyzed the metal organic vapor phase epitaxial growth mechanism of the III-nitride semiconductors GaN, AlN, and InN by first-principles calculations and thermodynamic analyses. In these analyses, we investigated the decomposition processes of the group III source gases X(CH3)3 (X = Ga, Al, In) at finite temperatures and determined whether the (CH3)2GaNH2 adduct can be formed or not. The results of our calculations show that the (CH3)2GaNH2 adduct cannot be formed in the gas phase in GaN metal organic vapor phase epitaxy (MOVPE), whereas, in AlN MOVPE, the formation of the (CH3)2AlNH2 adduct in the gas phase is exclusive. In the case of GaN MOVPE, trimethylgallium (TMG, [Ga(CH3)3]) decomposition into Ga gas on the growth surface with the assistance of H2 carrier gas, instead of the formation of the (CH3)2GaNH2 adduct, occurs almost exclusively. Moreover, in the case of InN MOVPE, the formation of the (CH3)2InNH2 adduct does not occur and it is relatively easy to produce In gas even without H2 in the carrier gas.

Modeling studies of gas movement and moisture migration at Yucca Mountain, Nevada

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

Tsang, Y.W.; Pruess, K.

1991-06-01

Modeling studies on moisture redistribution processes that are mediated by gas phase flow and diffusion have been carried out. The problem addressed is the effect of a lowered humidity of the soil gas at the land surface on moisture removal from Yucca Mountain, the potential site for a high-level nuclear waste repository. At the land surface, humid formation gas contacts much drier atmospheric air. Near this contact, the humidity of the soil gas may be considerably lower than at greater depth, where the authors expect equilibrium with the liquid phase and close to 100% humidity. The lower relative humidity ofmore » the soil gas may be modeled by imposing, at the land surface, an additional negative capillary suction corresponding to vapor pressure lowering according to Kelvin`s Equation, thus providing a driving force for the upward movement of moisture in both the vapor and liquid phases. Sensitivity studies show that moisture removal from Yucca Mountain arising from the lowered-relative-humidity boundary condition is controlled by vapor diffusion. There is much experimental evidence in the soil literature that diffusion of vapor is enhanced due to pore-level phase change effects by a few orders of magnitude. Modeling results presented here will account for this enhancement in vapor diffusion.« less

The generation of HCl in the system CaCl2-H2O: Vapor-liquid relations from 380-500°C

USGS Publications Warehouse

Bischoff, James L.; Rosenbauer, Robert J.; Fournier, Robert O.

1996-01-01

We determined vapor-liquid relations (P-T-x) and derived critical parameters for the system CaCl2-H2O from 380-500??C. Results show that the two-phase region of this system is extremely large and occupies a significant portion of the P-T space to which circulation of fluids in the Earth's crust is constrained. Results also show the system generates significant amounts of HCl (as much as 0.1 mol/kg) in the vapor phase buffered by the liquid at surprisingly high pressures (???230 bars at 380??C, <580 bars at 500??C), presumably by hydrolysis of CaCl2: CaCl2 + 2H2O = Ca(OH)2 + 2HCl. We interpret the abundance of HCl in the vapor as due to its preference for the vapor phase, and by the preference of Ca(OH)2 for either the liquid phase or solid. The recent recognition of the abundance of CaCl2 in deep brines of the Earth's crust and their hydrothermal mobilization makes the hydrolysis of CaCl2 geologically important. The boiling of Ca-rich brines produces abundant HCl buffered by the presence of the liquid at moderate pressures. The resultant Ca(OH)2 generated by this process reacts with silicates to form a variety of alteration products, such as epidote, whereas the vapor produces acid-alteration of rocks through which it ascends.

Cross-stacked carbon nanotubes assisted self-separation of free-standing GaN substrates by hydride vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Wei, Tongbo; Yang, Jiankun; Wei, Yang; Huo, Ziqiang; Ji, Xiaoli; Zhang, Yun; Wang, Junxi; Li, Jinmin; Fan, Shoushan

2016-06-01

We report a novel method to fabricate high quality 2-inch freestanding GaN substrate grown on cross-stacked carbon nanotubes (CSCNTs) coated sapphire by hydride vapor phase epitaxy (HVPE). As nanoscale masks, these CSCNTs can help weaken the interface connection and release the compressive stress by forming voids during fast coalescence and also block the propagation of threading dislocations (TDs). During the cool-down process, thermal stress-induced cracks are initiated at the CSCNTs interface with the help of air voids and propagated all over the films which leads to full self-separation of FS-GaN substrate. Raman and photoluminescence spectra further reveal the stress relief and crystalline improvement of GaN with CSCNTs. It is expected that the efficient, low cost and mass-producible technique may enable new applications for CNTs in nitride optoelectronic fields.

Field emission and photoluminescence characteristics of ZnS nanowires via vapor phase growth

NASA Astrophysics Data System (ADS)

Chang, Yongqin; Wang, Mingwei; Chen, Xihong; Ni, Saili; Qiang, Weijing

2007-05-01

Large-area ZnS nanowires were synthesized through a vapor phase deposition method. X-ray diffraction and electron microscopy results show that the products are composed of single crystalline ZnS nanowires with a cubic structure. The nanowires have sharp tips and are distributed uniformly on silicon substrates. The diameter of the bases is in the range of 320-530 nm and that of the tips is around 20-30 nm. The strong ultraviolet emission in the photoluminescence spectra also demonstrates that the ZnS nanowires are of high crystalline perfection. Field emission measurements reveal that the ZnS nanowires have a fairly low threshold field, which may be ascribed to their very sharp tips, rough surfaces and high crystal quality. The perfect field emission ability of the ZnS nanowires makes them a promising candidate for the fabrication of flexible cold cathodes.

Cross-stacked carbon nanotubes assisted self-separation of free-standing GaN substrates by hydride vapor phase epitaxy.

PubMed

Wei, Tongbo; Yang, Jiankun; Wei, Yang; Huo, Ziqiang; Ji, Xiaoli; Zhang, Yun; Wang, Junxi; Li, Jinmin; Fan, Shoushan

2016-06-24

We report a novel method to fabricate high quality 2-inch freestanding GaN substrate grown on cross-stacked carbon nanotubes (CSCNTs) coated sapphire by hydride vapor phase epitaxy (HVPE). As nanoscale masks, these CSCNTs can help weaken the interface connection and release the compressive stress by forming voids during fast coalescence and also block the propagation of threading dislocations (TDs). During the cool-down process, thermal stress-induced cracks are initiated at the CSCNTs interface with the help of air voids and propagated all over the films which leads to full self-separation of FS-GaN substrate. Raman and photoluminescence spectra further reveal the stress relief and crystalline improvement of GaN with CSCNTs. It is expected that the efficient, low cost and mass-producible technique may enable new applications for CNTs in nitride optoelectronic fields.

Cross-stacked carbon nanotubes assisted self-separation of free-standing GaN substrates by hydride vapor phase epitaxy

PubMed Central

Wei, Tongbo; Yang, Jiankun; Wei, Yang; Huo, Ziqiang; Ji, Xiaoli; Zhang, Yun; Wang, Junxi; Li, Jinmin; Fan, Shoushan

2016-01-01

We report a novel method to fabricate high quality 2-inch freestanding GaN substrate grown on cross-stacked carbon nanotubes (CSCNTs) coated sapphire by hydride vapor phase epitaxy (HVPE). As nanoscale masks, these CSCNTs can help weaken the interface connection and release the compressive stress by forming voids during fast coalescence and also block the propagation of threading dislocations (TDs). During the cool-down process, thermal stress-induced cracks are initiated at the CSCNTs interface with the help of air voids and propagated all over the films which leads to full self-separation of FS-GaN substrate. Raman and photoluminescence spectra further reveal the stress relief and crystalline improvement of GaN with CSCNTs. It is expected that the efficient, low cost and mass-producible technique may enable new applications for CNTs in nitride optoelectronic fields. PMID:27340030

Multilayer porous structures of HVPE and MOCVD grown GaN for photonic applications

NASA Astrophysics Data System (ADS)

Braniste, T.; Ciers, Joachim; Monaico, Ed.; Martin, D.; Carlin, J.-F.; Ursaki, V. V.; Sergentu, V. V.; Tiginyanu, I. M.; Grandjean, N.

2017-02-01

In this paper we report on a comparative study of electrochemical processes for the preparation of multilayer porous structures in hydride vapor phase epitaxy (HVPE) and metal organic chemical vapor phase deposition (MOCVD) grown GaN. It was found that in HVPE-grown GaN, multilayer porous structures are obtained due to self-organization processes leading to a fine modulation of doping during the crystal growth. However, these processes are not totally under control. Multilayer porous structures with a controlled design have been produced by optimizing the technological process of electrochemical etching in MOCVD-grown samples, consisting of five pairs of thin layers with alternating-doping profiles. The samples have been characterized by SEM imaging, photoluminescence spectroscopy, and micro-reflectivity measurements, accompanied by transfer matrix analysis and simulations by a method developed for the calculation of optical reflection spectra. We demonstrate the applicability of the produced structures for the design of Bragg reflectors.

Liquid phase stabilization versus bubble formation at a nanoscale curved interface

NASA Astrophysics Data System (ADS)

Schiffbauer, Jarrod; Luo, Tengfei

2018-03-01

We investigate the nature of vapor bubble formation near a nanoscale-curved convex liquid-solid interface using two models: an equilibrium Gibbs model for homogenous nucleation, and a nonequilibrium dynamic van der Waals-diffuse-interface model for phase change in an initially cool liquid. Vapor bubble formation is shown to occur for sufficiently large radius of curvature and is suppressed for smaller radii. Solid-fluid interactions are accounted for and it is shown that liquid-vapor interfacial energy, and hence Laplace pressure, has limited influence over bubble formation. The dominant factor is the energetic cost of creating the solid-vapor interface from the existing solid-liquid interface, as demonstrated via both equilibrium and nonequilibrium arguments.

Interfacial condensation induced by sub-cooled liquid jet

NASA Astrophysics Data System (ADS)

Rame, Enrique; Balasubramaniam, R.

2016-11-01

When a sub-cooled liquid jet impinges on the free surface between a liquid and its vapor, vapor will condense at a rate dependent on the sub-cooling, the jet strength and fluid properties. In 1966 and during the examination of a different type of condensation flow, Shekriladeze found an approximate result, valid at large condensation rates, that decouples the flow in the liquid phase from that of the vapor, without putting it in the context of a formal asymptotic approximation. In this talk we will develop an asymptotic approximation that contains Shekriladze's result, and extend the calculations to the case when a non-condensable gas is present in the vapor phase.

Integrated atomic layer deposition and chemical vapor reaction for the preparation of metal organic framework coatings for solid-phase microextraction Arrow.

PubMed

Lan, Hangzhen; Salmi, Leo D; Rönkkö, Tuukka; Parshintsev, Jevgeni; Jussila, Matti; Hartonen, Kari; Kemell, Marianna; Riekkola, Marja-Liisa

2018-09-18

New chemical vapor reaction (CVR) and atomic layer deposition (ALD)-conversion methods were utilized for preparation of metal organic frameworks (MOFs) coatings of solid phase microextraction (SPME) Arrow for the first time. With simple, easy and convenient one-step reaction or conversion, four MOF coatings were made by suspend ALD iron oxide (Fe 2 O 3 ) film or aluminum oxide (Al 2 O 3 ) film above terephthalic acid (H 2 BDC) or trimesic acid (H 3 BTC) vapor. UIO-66 coating was made by zirconium (Zr)-BDC film in acetic acid vapor. As the first documented instance of all-gas phase synthesis of SPME Arrow coatings, preparation parameters including CVR/conversion time and temperature, acetic acid volume, and metal oxide film/metal-ligand films thickness were investigated. The optimal coatings exhibited crystalline structures, excellent uniformity, satisfactory thickness (2-7.5 μm), and high robustness (>80 times usage). To study the practical usefulness of the coatings for the extraction, several analytes with different chemical properties were tested. The Fe-BDC coating was found to be the most selective and sensitive for the determination of benzene ring contained compounds due to its highly hydrophobic surface and unsaturated metal site. UIO-66 coating was best for small polar, aromatic, and long chain polar compounds owing to its high porosity. The usefulness of new coatings were evaluated for gas chromatography-mass spectrometer (GC-MS) determination of several analytes, present in wastewater samples at three levels of concentration, and satisfactory results were achieved. Copyright © 2018 Elsevier B.V. All rights reserved.

Chemical sensing of copper phthalocyanine sol-gel glass through organic vapors

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

Ridhi, R.; Gawri, Isha; Abbas, Saeed J.

2015-05-15

The sensitivities of metallophthalocyanine to vapor phase electron donors has gained significance in many areas and disciplines due to their sensing properties and ease of operation. In the present study the interaction mechanism of organic vapors in Copper Phthalocyanine (CuPc) sol-gel glass has been studied. The interaction mechanism is affected by many factors like morphology, electrical or optical properties of film. CuPc sol-gel glass has been synthesized using chemical route sol-gel method. Its structural characterization was conducted using XRD and the amorphous nature of the silicate glass was observed with characteristic α polymorph phase of CuPc at around 6.64° withmore » 13.30Å interplanar spacing. The size of the particle as determined using Debbye Scherre’s formula comes out around 15.5 nm. The presence of α phase of CuPc was confirmed using FTIR with the appearance of crystal parameter marker band at 787 cm-1. Apart from this A2u and Eu symmetry bands of CuPc have also been observed. The UV absorption spectrum of CuPc exhibits absorption peaks owing to π→ π* and n→ π* transitions. A blue shift in the prepared CuPc glass has been observed as compared to the dopant CuPc salt indicating increase of band gap. A split in B (Soret) band and Q band appears as observed with the help of Lorentzian fitting. CuPc sol gel glass has been exposed with chemical vapors of Methanol, Benzene and Bromine individually and the electrical measurements have been carried out. These measurements show the variation in conductivity and the interaction mechanism has been analyzed.« less

Chemical vapor deposition reactor. [providing uniform film thickness

NASA Technical Reports Server (NTRS)

Chern, S. S.; Maserjian, J. (Inventor)

1977-01-01

An improved chemical vapor deposition reactor is characterized by a vapor deposition chamber configured to substantially eliminate non-uniformities in films deposited on substrates by control of gas flow and removing gas phase reaction materials from the chamber. Uniformity in the thickness of films is produced by having reactive gases injected through multiple jets which are placed at uniformally distributed locations. Gas phase reaction materials are removed through an exhaust chimney which is positioned above the centrally located, heated pad or platform on which substrates are placed. A baffle is situated above the heated platform below the mouth of the chimney to prevent downdraft dispersion and scattering of gas phase reactant materials.

Raman Spectroscopy as the Method of Detection for Constructing a Binary Liquid-Vapor Phase Diagram

ERIC Educational Resources Information Center

Scardino, Debra J.; Howard, Austin A.; McDowell, Matthew D.; Hammer, Nathan I.

2011-01-01

The physical chemistry laboratory is sometimes constrained to one semester, resulting in pedagogical deficiencies for the students taking the course. The use of a multidimensional laboratory exercise offers students the opportunity to encounter multiple experimental techniques and physical chemistry concepts while not sacrificing a significant…

Toxic Remediation System And Method

DOEpatents

Matthews, Stephen M.; Schonberg, Russell G.; Fadness, David R.

1996-07-23

What is disclosed is a novel toxic waste remediation system designed to provide on-site destruction of a wide variety of hazardous organic volatile hydrocarbons, including but not limited to halogenated and aromatic hydrocarbons in the vapor phase. This invention utilizes a detoxification plenum and radiation treatment which transforms hazardous organic compounds into non-hazardous substances.

Advanced Hybrid Particulate Collector Project Management Plan

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

Miller, S.J.

As the consumption of energy increases, its impact on ambient air quality has become a significant concern. Recent studies indicate that fine particles from coal combustion cause health problems as well as atmospheric visibility impairment. These problems are further compounded by the concentration of hazardous trace elements such as mercury, cadmium, selenium, and arsenic in fine particles. Therefore, a current need exists to develop superior, but economical, methods to control emissions of fine particles. Since most of the toxic metals present in coal will be in particulate form, a high level of fine- particle collection appears to be the bestmore » method of overall air toxics control. However, over 50% of mercury and a portion of selenium emissions are in vapor form and cannot be collected in particulate control devices. Therefore, this project will focus on developing technology not only to provide ultrahigh collection efficiency of particulate air toxic emissions, but also to capture vapor- phase trace metals such as mercury and selenium. Currently, the primary state-of-the-art technologies for particulate control are fabric filters (baghouses) and electrostatic precipitators (ESPs). However, they both have limitations that prevent them from achieving ultrahigh collection of fine particulate matter and vapor-phase trace metals. The objective of this project is to develop a highly reliable advanced hybrid particulate collector (AHPC) that can provide > 99.99 % particulate collection efficiency for all particle sizes between 0.01 and 50 14m, is applicable for use with all U.S. coals, and is cost-0443competitive with existing technologies. Phase I of the project is organized into three tasks: Task I - Project Management, Reporting, and Subcontract Consulting Task 2 - Modeling, Design, and Construction of 200-acfm AHPC Model Task 3 - Experimental Testing and Subcontract Consulting« less

Nonstoichiometry of ZnGeP 2 crystals probed by static tensimetric method

NASA Astrophysics Data System (ADS)

Vasilyeva, I. G.; Nikolaev, R. E.; Verozubova, G. A.

2010-09-01

The nonstoichiometry of ZnGeP 2 has been determined based on the p-T dependences measured above ZnP 2-Ge samples in the temperature range of 980-1225 K by a high-sensitive and precise tensimetric static method with a quartz Bourdon gauge. Scanning of the compositional range 49-51 mol% ZnP 2 in the closed system and construction of the p-T dependences were possible due to incongruent evaporation of ZnGeP 2 and formation of volatile species Zn(g), P 4(g) and P 2(g). The maximum homogeneity range of the solid ZnGeP 2 was determined between 50.03 and 49.61 mol% ZnP 2 at a temperature of 1128 K, based on the inflection points on the p-T dependences, corresponding to transitions of the three-phase (solid-solid-vapor) equilibrium to a two-phase (solid-vapor) one and vice visa. The nonstoichiometry as the overall concentration of defects is considered to gain a better insight into the defect chemistry of ZnGeP 2.

Scalable and Tunable Carbide-Phosphide Composite Catalyst System for the Thermochemical Conversion of Biomass

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

Regmi, Yagya; Rogers, Bridget; Labbe, Nicole

We have prepared composite materials of hexagonal nickel phosphide and molybdenum carbide (Mo2C) utilizing a simple and scalable two-stage synthesis method comprised of carbothermic reduction followed by hydrothermal incubation. We observe the monophasic hexagonal phosphide Ni2P in the composite at low phosphide-to-carbide (P:C) ratios. Upon increasing the proportion of P:C, the carbide surface becomes saturated, and we detect the emergence of a second hexagonal nickel phosphide phase (Ni5P4) upon annealing. We demonstrate that vapor-phase upgrading (VPU) of whole biomass via catalytic fast pyrolysis is achievable using the composite material as a catalyst, and we monitor the resulting product slates usingmore » pyrolysis gas chromatography/mass spectrometry. Our analysis of the product vapors indicates that variation of the P:C molar ratio in the composite material affords product slates of varying complexity and composition, which is indicated by the number of products and their relative proportions in the product slate. Our results demonstrate that targeted vapor product composition can be obtained, which can potentially be utilized to tune the composition of the bio-oil downstream.« less

Scalable and Tunable Carbide-Phosphide Composite Catalyst System for the Thermochemical Conversion of Biomass

DOE PAGES

Regmi, Yagya; Rogers, Bridget; Labbe, Nicole; ...

2017-07-13

We have prepared composite materials of hexagonal nickel phosphide and molybdenum carbide (Mo2C) utilizing a simple and scalable two-stage synthesis method comprised of carbothermic reduction followed by hydrothermal incubation. We observe the monophasic hexagonal phosphide Ni2P in the composite at low phosphide-to-carbide (P:C) ratios. Upon increasing the proportion of P:C, the carbide surface becomes saturated, and we detect the emergence of a second hexagonal nickel phosphide phase (Ni5P4) upon annealing. We demonstrate that vapor-phase upgrading (VPU) of whole biomass via catalytic fast pyrolysis is achievable using the composite material as a catalyst, and we monitor the resulting product slates usingmore » pyrolysis gas chromatography/mass spectrometry. Our analysis of the product vapors indicates that variation of the P:C molar ratio in the composite material affords product slates of varying complexity and composition, which is indicated by the number of products and their relative proportions in the product slate. Our results demonstrate that targeted vapor product composition can be obtained, which can potentially be utilized to tune the composition of the bio-oil downstream.« less

A three-dimensional phase field model for nanowire growth by the vapor-liquid-solid mechanism

NASA Astrophysics Data System (ADS)

Wang, Yanming; Ryu, Seunghwa; McIntyre, Paul C.; Cai, Wei

2014-07-01

We present a three-dimensional multi-phase field model for catalyzed nanowire (NW) growth by the vapor-liquid-solid (VLS) mechanism. The equation of motion contains both a Ginzburg-Landau term for deposition and a diffusion (Cahn-Hilliard) term for interface relaxation without deposition. Direct deposition from vapor to solid, which competes with NW crystal growth through the molten catalyst droplet, is suppressed by assigning a very small kinetic coefficient at the solid-vapor interface. The thermodynamic self-consistency of the model is demonstrated by its ability to reproduce the equilibrium contact angles at the VLS junction. The incorporation of orientation dependent gradient energy leads to faceting of the solid-liquid and solid-vapor interfaces. The model successfully captures the curved shape of the NW base and the Gibbs-Thomson effect on growth velocity.

Influence of surface wettability on transport mechanisms governing water droplet evaporation.

PubMed

Pan, Zhenhai; Weibel, Justin A; Garimella, Suresh V

2014-08-19

Prediction and manipulation of the evaporation of small droplets is a fundamental problem with importance in a variety of microfluidic, microfabrication, and biomedical applications. A vapor-diffusion-based model has been widely employed to predict the interfacial evaporation rate; however, its scope of applicability is limited due to incorporation of a number of simplifying assumptions of the physical behavior. Two key transport mechanisms besides vapor diffusion-evaporative cooling and natural convection in the surrounding gas-are investigated here as a function of the substrate wettability using an augmented droplet evaporation model. Three regimes are distinguished by the instantaneous contact angle (CA). In Regime I (CA ≲ 60°), the flat droplet shape results in a small thermal resistance between the liquid-vapor interface and substrate, which mitigates the effect of evaporative cooling; upward gas-phase natural convection enhances evaporation. In Regime II (60 ≲ CA ≲ 90°), evaporative cooling at the interface suppresses evaporation with increasing contact angle and counterbalances the gas-phase convection enhancement. Because effects of the evaporative cooling and gas-phase convection mechanisms largely neutralize each other, the vapor-diffusion-based model can predict the overall evaporation rates in this regime. In Regime III (CA ≳ 90°), evaporative cooling suppresses the evaporation rate significantly and reverses entirely the direction of natural convection induced by vapor concentration gradients in the gas phase. Delineation of these counteracting mechanisms reconciles previous debate (founded on single-surface experiments or models that consider only a subset of the governing transport mechanisms) regarding the applicability of the classic vapor-diffusion model. The vapor diffusion-based model cannot predict the local evaporation flux along the interface for high contact angle (CA ≥ 90°) when evaporative cooling is strong and the temperature gradient along the interface determines the peak local evaporation flux.

Forced convection flow boiling and two-phase flow phenomena in a microchannel

NASA Astrophysics Data System (ADS)

Na, Yun Whan

2008-07-01

The present study was performed to numerically analyze the evaporation phenomena through the liquid-vapor interface and to investigate bubble dynamics and heat transfer behavior during forced convective flow boiling in a microchannel. Flow instabilities of two-phase flow boiling in a microchannel were studied as well. The main objective of this research is to investigate the fundamental mechanisms of two-phase flow boiling in a microchannel and provide predictive tools to design thermal management systems, for example, microchannel heat sinks. The numerical results obtained from this study were qualitatively and quantitatively compared with experimental results in the open literature. Physical and mathematical models, accounting for evaporating phenomena through the liquid-vapor interface in a microchannel at constant heat flux and constant wall temperature, have been developed, respectively. The heat transfer mechanism is affected by the dominant heat conduction through the thin liquid film and vaporization at the liquid-vapor interface. The thickness of the liquid film and the pressure of the liquid and vapor phases were simultaneously solved by the governing differential equations. The developed semi-analytical evaporation model that takes into account of the interfacial phenomena and surface tension effects was used to obtain solutions numerically using the fourth-order Runge-Kutta method. The effects of heat flux 19 and wall temperature on the liquid film were evaluated. The obtained pressure drops in a microchannel were qualitatively consistent with the experimental results of Qu and Mudawar (2004). Forced convective flow boiling in a single microchannel with different channel heights was studied through a numerical simulation to investigate bubble dynamics, flow patterns, and heat transfer. The momentum and energy equations were solved using the finite volume method while the liquid-vapor interface of a bubble is captured using the VOF (Volume of Fluid) technique. The effects of different constant heat fluxes and different channel heights on the boiling mechanisms were investigated. The effects of liquid velocity on the bubble departure diameter were analyzed. The obtained results showed that the wall superheats at the position of nucleate boiling are relatively independent of the mass flow rates at the same channel height. The obtained results, however, showed that the heat flux at the onset of nucleate boiling strongly depends on the channel height. With a decrease of the channel height and an increase of the liquid velocity at the channel inlet, the departure diameter of a bubble was smaller. The periodic flow patterns, such as the bubbly flow, elongated slug flow, and churn flow were observed in the microchannel. Flow instabilities of two-phase flow boiling in a trapezoidal microchannel using a three-dimensional model were investigated. Fluctuation behaviors of flow boiling parameters such as wall temperature and inlet pressure caused by periodic flow patterns were studied at different heat fluxes and mass fluxes. The numerical results showed large amplitude and short period oscillations for wall temperature and inlet pressure fluctuations. Stable and unstable flow boiling regime with short period oscillations were investigated. Those flow boiling regimes were not listed in stable and unstable boiling regime map proposed by Wang et al. (2007).

Method for the Determination of Ammonia in Mainstream Cigarette Smoke Using Ion Chromatography

PubMed Central

Watson, Christina Vaughan; Feng, June; Valentin-Blasini, Liza; Stanelle, Rayman; Watson, Clifford H.

2016-01-01

Ammonia in mainstream smoke is present in both the particulate and vapor phases. The presence of ammonia in the cigarette filler material and smoke is of significance because of the potential role ammonia could have in raising the “smoke pH.” An increased smoke pH could shift a fraction of total nicotine to free-base nicotine, which is reportedly more rapidly absorbed by the smoker. Methods measuring ammonia in smoke typically employ acid filled impingers to trap the smoke. We developed a fast, reliable method to measure ammonia in mainstream smoke without the use of costly and time consuming impingers to examine differences in ammonia delivery. The method uses both a Cambridge filter pad and a Tedlar bag to capture particulate and vapor phases of the smoke. We quantified ammonia levels in the mainstream smoke of 50 cigarette brands from 5 manufacturers. Ammonia levels ranged from approximately 1μg to 23μg per cigarette for ISO smoking conditions and 38μg to 67μg per cigarette for Canadian intense smoking conditions and statistically significance differences were observed between brands and manufacturers. Our findings suggest that ammonia levels vary by brand and are higher under Canadian intense smoking conditions. PMID:27415766

Fabrication of ultrathin and highly uniform silicon on insulator by numerically controlled plasma chemical vaporization machining.

PubMed

Sano, Yasuhisa; Yamamura, Kazuya; Mimura, Hidekazu; Yamauchi, Kazuto; Mori, Yuzo

2007-08-01

Metal-oxide semiconductor field-effect transistors fabricated on a silicon-on-insulator (SOI) wafer operate faster and at a lower power than those fabricated on a bulk silicon wafer. Scaling down, which improves their performances, demands thinner SOI wafers. In this article, improvement on the thinning of SOI wafers by numerically controlled plasma chemical vaporization machining (PCVM) is described. PCVM is a gas-phase chemical etching method in which reactive species generated in atmospheric-pressure plasma are used. Some factors affecting uniformity are investigated and methods for improvements are presented. As a result of thinning a commercial 8 in. SOI wafer, the initial SOI layer thickness of 97.5+/-4.7 nm was successfully thinned and made uniform at 7.5+/-1.5 nm.

Vapor-Liquid Equilibria Using the Gibbs Energy and the Common Tangent Plane Criterion

ERIC Educational Resources Information Center

Olaya, Maria del Mar; Reyes-Labarta, Juan A.; Serrano, Maria Dolores; Marcilla, Antonio

2010-01-01

Phase thermodynamics is often perceived as a difficult subject with which many students never become fully comfortable. The Gibbsian geometrical framework can help students to gain a better understanding of phase equilibria. An exercise to interpret the vapor-liquid equilibrium of a binary azeotropic mixture, using the equilibrium condition based…

THE ROLE OF AQUEOUS THIN FILM EVAPORATIVE COOLING ON RATES OF ELEMENTAL MERCURY AIR-WATER EXCHANGE UNDER TEMPERATURE DISEQUILIBRIUM CONDITIONS

EPA Science Inventory

The technical conununity has only recently addressed the role of atmospheric temperature variations on rates of air-water vapor phase toxicant exchange. The technical literature has documented that: 1) day time rates of elemental mercury vapor phase air-water exchange can exceed ...

OM-VPE growth of Mg-doped GaAs. [OrganoMetallic-Vapor Phase Epitaxy

NASA Technical Reports Server (NTRS)

Lewis, C. R.; Dietze, W. T.; Ludowise, M. J.

1982-01-01

The epitaxial growth of Mg-doped GaAs by the organometallic vapor phase epitaxial process (OM-VPE) has been achieved for the first time. The doping is controllable over a wide range of input fluxes of bis (cyclopentadienyl) magnesium, (C5H5)2Mg, the organometallic precursor to Mg.

Non-equilibrium phase stabilization versus bubble nucleation at a nanoscale-curved Interface

NASA Astrophysics Data System (ADS)

Schiffbauer, Jarrod; Luo, Tengfei

Using continuum dynamic van der Waals theory in a radial 1D geometry with a Lennard-Jones fluid model, we investigate the nature of vapor bubble nucleation near a heated, nanoscale-curved convex interface. Vapor bubble nucleation and growth are observed for interfaces with sufficiently large radius of curvature while phase stabilization of a superheated fluid layer occurs at interfaces with smaller radius. The hypothesis that the high Laplace pressure required for stable equilibrium of very small bubbles is responsible for phase stability is tested by effectively varying the parameter which controls liquid-vapor surface tension. In doing so, the liquid-vapor surface tension- hence Laplace pressure-is shown to have limited effect on phase stabilization vs. bubble nucleation. However, the strong dependence of nucleation on leading-order momentum transport, i.e. viscous dissipation, near the heated inner surface is demonstrated. We gratefully acknowledge ND Energy for support through the ND Energy Postdoctoral Fellowship program and the Army Research Office, Grant No. W911NF-16-1-0267, managed by Dr. Chakrapani Venanasi.

Vapor Pressure Plus: An Experiment for Studying Phase Equilibria in Water, with Observation of Supercooling, Spontaneous Freezing, and the Triple Point

ERIC Educational Resources Information Center

Tellinghuisen, Joel

2010-01-01

Liquid-vapor, solid-vapor, and solid-liquid-vapor equilibria are studied for the pure substance water, using modern equipment that includes specially fabricated glass cells. Samples are evaporatively frozen initially, during which they typically supercool to -5 to -10 [degrees]C before spontaneously freezing. Vacuum pumping lowers the temperature…

Partial Model of Insulator/Insulator Contact Charging

NASA Technical Reports Server (NTRS)

Hogue, Michael; Calle, C. I.; Buhler, C. R.; Mucciolo, E. R.

2005-01-01

Two papers present a two-phase equilibrium model that partly explains insulator/ insulator contact charging. In this model, a vapor of ions within a gas is in equilibrium with a submonolayer of ions of the same species that have been adsorbed on the surface of an insulator. The surface is modeled as having localized states, each with a certain energy of adsorption for an ion. In an earlier version of the model described in the first paper, the ions do not interact with each other. Using the grand canonical ensemble, the chemical potentials of both vapor and absorbed phases are derived and equated to determine the vapor pressure. If a charge is assigned to the vapor particles (in particular, if single ionization is assumed), then the surface charge density associated with adsorbed ions can be calculated as a function of pressure. In a later version of the model presented in the second paper, the submodel of the vapor phase is extended to include electrostatic interactions between vapor ions and adsorbed ones as well as the screening effect, at a given distance from the surface, of ions closer to the surface. Theoretical values of this model closely match preliminary experimental data on the discharge of insulators as a function of pressure.

Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.

PubMed

Lin, Shiang-Tai; Maiti, Prabal K; Goddard, William A

2010-06-24

Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dynamics (MD) simulations. In this method, the density of state (DoS) functions (including the normal modes of translation, rotation, and intramolecular vibration motions) are determined from the Fourier transform of the corresponding velocity autocorrelation functions. A fluidicity parameter (f), extracted from the thermodynamic state of the system derived from the same MD, is used to partition the translation and rotation modes into a diffusive, gas-like component (with 3Nf degrees of freedom) and a nondiffusive, solid-like component. The thermodynamic properties, including the absolute value of entropy, are then obtained by applying quantum statistics to the solid component and applying hard sphere/rigid rotor thermodynamics to the gas component. The 2PT method produces exact thermodynamic properties of the system in two limiting states: the nondiffusive solid state (where the fluidicity is zero) and the ideal gas state (where the fluidicity becomes unity). We examine the 2PT entropy for various water models (F3C, SPC, SPC/E, TIP3P, and TIP4P-Ew) at ambient conditions and find good agreement with literature results obtained based on other simulation techniques. We also validate the entropy of water in the liquid and vapor phases along the vapor-liquid equilibrium curve from the triple point to the critical point. We show that this method produces converged liquid phase entropy in tens of picoseconds, making it an efficient means for extracting thermodynamic properties from MD simulations.

Fast screening of analytes for chemical reactions by reactive low-temperature plasma ionization mass spectrometry.

PubMed

Zhang, Wei; Huang, Guangming

2015-11-15

Approaches for analyte screening have been used to aid in the fine-tuning of chemical reactions. Herein, we present a simple and straightforward analyte screening method for chemical reactions via reactive low-temperature plasma ionization mass spectrometry (reactive LTP-MS). Solution-phase reagents deposited on sample substrates were desorbed into the vapor phase by action of the LTP and by thermal desorption. Treated with LTP, both reagents reacted through a vapor phase ion/molecule reaction to generate the product. Finally, protonated reagents and products were identified by LTP-MS. Reaction products from imine formation reaction, Eschweiler-Clarke methylation and the Eberlin reaction were detected via reactive LTP-MS. Products from the imine formation reaction with reagents substituted with different functional groups (26 out of 28 trials) were successfully screened in a time of 30 s each. Besides, two short-lived reactive intermediates of Eschweiler-Clarke methylation were also detected. LTP in this study serves both as an ambient ionization source for analyte identification (including reagents, intermediates and products) and as a means to produce reagent ions to assist gas-phase ion/molecule reactions. The present reactive LTP-MS method enables fast screening for several analytes from several chemical reactions, which possesses good reagent compatibility and the potential to perform high-throughput analyte screening. In addition, with the detection of various reactive intermediates (intermediates I and II of Eschweiler-Clarke methylation), the present method would also contribute to revealing and elucidating reaction mechanisms. Copyright © 2015 John Wiley & Sons, Ltd.

Modeling of breakdown during the post-arc phase of a vacuum circuit breaker

NASA Astrophysics Data System (ADS)

Sarrailh, P.; Garrigues, L.; Boeuf, J. P.; Hagelaar, G. J. M.

2010-12-01

After a high-current interruption in a vacuum circuit breaker (VCB), the electrode gap is filled with a high density copper vapor plasma in a large copper vapor density (~1022 m-3). The copper vapor density is sustained by electrode evaporation. During the post-arc phase, a rapidly increasing voltage is applied to the gap, and a sheath forms and expands, expelling the plasma from the gap when circuit breaking is successful. There is, however, a risk of breakdown during that phase, leading to the failure of the VCB. Preventing breakdown during the post-arc phase is an important issue for the improvement of VCB reliability. In this paper, we analyze the risk of Townsend breakdown in the high copper vapor density during the post-arc phase using a numerical model that takes into account secondary electron emission, volume ionization, and plasma and neutral transport, for given electrode temperatures. The simulations show that fast neutrals created in the cathode sheath by charge exchange collisions with ions generate a very large secondary electron emission current that can lead to Townsend breakdown. The results also show that the risk of failure of the VCB due to Townsend breakdown strongly depends on the electrode temperatures (which govern the copper vapor density) and becomes important for temperatures greater than 2100 K, which can be reached in vacuum arcs. The simulations also predict that a hotter anode tends to increase the risk of Townsend breakdown.

Preparation and characterization of Sb2Se3 devices for memory applications

NASA Astrophysics Data System (ADS)

Shylashree, N.; Uma B., V.; Dhanush, S.; Abachi, Sagar; Nisarga, A.; Aashith, K.; Sangeetha B., G.

2018-05-01

In this paper, A phase change material of Sb2Se3 was proposed for non volatile memory application. The thin film device preparation and characterization were carried out. The deposition method used was vapor evaporation technique and a thickness of 180nm was deposited. The switching between the SET and RESET state is shown by the I-V characterization. The change of phase was studied using R-V characterization. Different fundamental modes were also identified using Raman spectroscopy.

Influence of temperature on the rhombic shape of paracetamol molecular crystals

NASA Astrophysics Data System (ADS)

Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.

2017-04-01

The method of differential scanning ellipsometry has been used to study the influence of heating on the rhombic shape of paracetamol molecular crystals. Rhombic molecular paracetamol crystals have been synthesized in vacuum from the vapor phase of paracetamol as a result of complex transformation, which includes a second-order transition that gives rise to a pretransition phase. It has been found that these crystals contain monoclinic nuclei, which favor the form I-to-form II polymorphic transformation during heating.

Simultaneous determination of the heat and the quantity of vapor sorption using a novel microcalorimetric method.

PubMed

Lehto, V P; Laine, E

2000-06-01

In this study, instrumentation for measuring vapor sorption enthalpies and sorption uptakes simultaneously with an isothermal microcalorimeter is introduced. Various pharmaceutical model substances undergoing phase transitions when exposed to humid conditions (25 degrees C), were employed to evaluate the usefulness and sensitivity of the constructed experimental method. The sample is placed in the sample vessel of a RH cell and the moisture content of the air flow is controlled. From the RH cell the air flow is conducted into a subsequent perfusion cell in which a saturated salt solution has been loaded. The RH cell and perfusion cells are positioned in the sample sides of two twin calorimetric units. Depending on the moisture content in the outlet flow leaving the preceding RH cell, the heat flow signal from the subsequent perfusion cell will vary. By means of blank measurement with identical settings, the rate of water sorption can be calculated and, by integration, the amount of sorbed water is obtained. Amorphous lactose and cefadroxil undergo recrystallization when the moisture level in the surroundings exceeds the threshold values specific to each compound. During the sorption phase, heat is evolved fairly linearly as a function of consumed moisture, and also after the recrystallization, the heats indicate linear behavior. The heat values for the desorption phase of amorphous lactose and the adsorption of crystalline lactose coincide. With the different anhydrous forms of theophylline, the hydration takes place more rapidly in the metastable form 1, and generally, the process is more energetic in form 1. In all cases, the gravimetric results agree with the water sorption uptakes calculated from the calorimetric data. The technique introduced offers a rapid and sensitive method to gain new insights into the transitions in which vapors are involved. In addition, different kinds of surfaces with various energetics can now be studied more closely.

Method for solid state crystal growth

DOEpatents

Nolas, George S.; Beekman, Matthew K.

2013-04-09

A novel method for high quality crystal growth of intermetallic clathrates is presented. The synthesis of high quality pure phase crystals has been complicated by the simultaneous formation of both clathrate type-I and clathrate type-II structures. It was found that selective, phase pure, single-crystal growth of type-I and type-II clathrates can be achieved by maintaining sufficient partial pressure of a chemical constituent during slow, controlled deprivation of the chemical constituent from the primary reactant. The chemical constituent is slowly removed from the primary reactant by the reaction of the chemical constituent vapor with a secondary reactant, spatially separated from the primary reactant, in a closed volume under uniaxial pressure and heat to form the single phase pure crystals.

Long-term stable water vapor permeation barrier properties of SiN/SiCN/SiN nanolaminated multilayers grown by plasma-enhanced chemical vapor deposition at extremely low pressures

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

Choi, Bum Ho, E-mail: bhchoi@kitech.re.kr; Lee, Jong Ho

2014-08-04

We investigated the water vapor permeation barrier properties of 30-nm-thick SiN/SiCN/SiN nanolaminated multilayer structures grown by plasma enhanced chemical vapor deposition at 7 mTorr. The derived water vapor transmission rate was 1.12 × 10{sup −6} g/(m{sup 2} day) at 85 °C and 85% relative humidity, and this value was maintained up to 15 000 h of aging time. The X-ray diffraction patterns revealed that the nanolaminated film was composed of an amorphous phase. A mixed phase was observed upon performing high resolution transmission electron microscope analysis, which indicated that a thermodynamically stable structure was formed. It was revealed amorphous SiN/SiCN/SiN multilayer structures that are freemore » from intermixed interface defects effectively block water vapor permeation into active layer.« less

Curvature induced phase stability of an intensely heated liquid

NASA Astrophysics Data System (ADS)

Sasikumar, Kiran; Liang, Zhi; Cahill, David G.; Keblinski, Pawel

2014-06-01

We use non-equilibrium molecular dynamics simulations to study the heat transfer around intensely heated solid nanoparticles immersed in a model Lennard-Jones fluid. We focus our studies on the role of the nanoparticle curvature on the liquid phase stability under steady-state heating. For small nanoparticles we observe a stable liquid phase near the nanoparticle surface, which can be at a temperature well above the boiling point. Furthermore, for particles with radius smaller than a critical radius of 2 nm we do not observe formation of vapor even above the critical temperature. Instead, we report the existence of a stable fluid region with a density much larger than that of the vapor phase. We explain the stability in terms of the Laplace pressure associated with the formation of a vapor nanocavity and the associated effect on the Gibbs free energy.

A semi-empirical model for the complete orientation dependence of the growth rate for vapor phase epitaxy - Chloride VPE of GaAs

NASA Technical Reports Server (NTRS)

Seidel-Salinas, L. K.; Jones, S. H.; Duva, J. M.

1992-01-01

A semi-empirical model has been developed to determine the complete crystallographic orientation dependence of the growth rate for vapor phase epitaxy (VPE). Previous researchers have been able to determine this dependence for a limited range of orientations; however, our model yields relative growth rate information for any orientation. This model for diamond and zincblende structure materials is based on experimental growth rate data, gas phase diffusion, and surface reactions. Data for GaAs chloride VPE is used to illustrate the model. The resulting growth rate polar diagrams are used in conjunction with Wulff constructions to simulate epitaxial layer shapes as grown on patterned substrates. In general, this model can be applied to a variety of materials and vapor phase epitaxy systems.

Determination of mercury compounds in fish by microwave-assisted extraction and liquid chromatography-vapor generation-inductively coupled plasma mass spectrometry

NASA Astrophysics Data System (ADS)

Chiou, Chwei-Sheng; Jiang, Shiuh-Jen; Kumar Danadurai, K. Suresh

2001-07-01

A method employing a vapor generation system and LC combined with inductively coupled plasma mass spectrometry (LC-ICP-MS) is presented for the determination of mercury in biological tissues. An open vessel microwave digestion system was used to extract the mercury compounds from the sample matrix. The efficiency of the mobile phase, a mixture of L-cysteine and 2-mercaptoethanol, was evaluated for LC separation of inorganic mercury [Hg(II)], methylmercury (methyl-Hg) and ethylmercury (ethyl-Hg). The sensitivity, detection limits and repeatability of the liquid chromatography (LC) ICP-MS system with a vapor generator were comparable to, or better than, that of an LC-ICP-MS system with conventional pneumatic nebulization, or other sample introduction techniques. The experimental detection limits for various mercury species were in the range of 0.05-0.09 ng ml -1 Hg, based on peak height. The proposed method was successfully applied to the determination of mercury compounds in a swordfish sample purchased from the local market. The accuracy of the method was evaluated by analyzing a marine biological certified reference material (DORM-2, NRCC).

Development of DPD coarse-grained models: From bulk to interfacial properties

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

Solano Canchaya, José G.; Dequidt, Alain, E-mail: alain.dequidt@univ-bpclermont.fr; Goujon, Florent

2016-08-07

A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Here we extend this method to improve transferability across thermodynamic conditions. We demonstrate the capability of the method by developing a CG model of n-pentane from constant-NPT atomistic simulations of bulk liquid phases and we apply the CG-DPD model to the calculation of the surface tension of the liquid-vapor interface over a large range of temperatures. The coexisting densities, vapor pressures, and surface tensions calculated with different CG andmore » atomistic models are compared to experiments. Depending on the database used for the development of the potentials, it is possible to build a CG model which performs very well in the reproduction of the surface tension on the orthobaric curve.« less

Processing of CuInSe{sub 2}-based solar cells: Characterization of deposition processes in terms of chemical reaction analyses. Phase 2 Annual Report, 6 May 1996--5 May 1997

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

Anderson, T.

This report describes research performed by the University of Florida during Phase 2 of this subcontract. First, to study CIGS, researchers adapted a contactless, nondestructive technique previously developed for measuring photogenerated excess carrier lifetimes in SOI wafers. This dual-beam optical modulation (DBOM) technique was used to investigate the differences between three alternative methods of depositing CdS (conventional chemical-bath deposition [CBD], metal-organic chemical vapor deposition [MOCVD], and sputtering). Second, a critical assessment of the Cu-In-Se thermochemical and phase diagram data using standard CALPHAD procedures is being performed. The outcome of this research will produce useful information on equilibrium vapor compositions (requiredmore » annealing ambients, Sex fluxes from effusion cells), phase diagrams (conditions for melt-assisted growth), chemical potentials (driving forces for diffusion and chemical reactions), and consistent solution models (extents of solid solutions and extending phase diagrams). Third, an integrated facility to fabricate CIS PV devices was established that includes migration-enhanced epitaxy (MEE) for deposition of CIS, a rapid thermal processing furnace for absorber film formation, sputtering of ZnO, CBD or MOCVD of CdS, metallization, and pattern definition.« less

Methods for compressible multiphase flows and their applications

NASA Astrophysics Data System (ADS)

Kim, H.; Choe, Y.; Kim, H.; Min, D.; Kim, C.

2018-06-01

This paper presents an efficient and robust numerical framework to deal with multiphase real-fluid flows and their broad spectrum of engineering applications. A homogeneous mixture model incorporated with a real-fluid equation of state and a phase change model is considered to calculate complex multiphase problems. As robust and accurate numerical methods to handle multiphase shocks and phase interfaces over a wide range of flow speeds, the AUSMPW+_N and RoeM_N schemes with a system preconditioning method are presented. These methods are assessed by extensive validation problems with various types of equation of state and phase change models. Representative realistic multiphase phenomena, including the flow inside a thermal vapor compressor, pressurization in a cryogenic tank, and unsteady cavitating flow around a wedge, are then investigated as application problems. With appropriate physical modeling followed by robust and accurate numerical treatments, compressible multiphase flow physics such as phase changes, shock discontinuities, and their interactions are well captured, confirming the suitability of the proposed numerical framework to wide engineering applications.

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

Takeishi, T.; Kotoh, K.; Kawabata, Y.

The existence of tritium-contaminated oils from vacuum pumps used in tritium facilities, is becoming an important issue since there is no disposal way for tritiated waste oils. On recovery of tritiated water vapor in gas streams, it is well-known that the isotope exchange reaction between the gas phase and the liquid phase occurs effectively at room temperature. We have carried out experiments using bubbles to examine the tritium contamination and decontamination of a volume of rotary-vacuum-pump oil. The contamination of the pump oil was made by bubbling tritiated water vapor and tritiated hydrogen gas into the oil. Subsequently the decontaminationmore » was processed by bubbling pure water vapor and dry argon gas into the tritiated oil. Results show that the water vapor bubbling was more effective than dry argon gas. The experiment also shows that the water vapor bubbling in an oil bottle can remove and transfer tritium efficiently from the tritiated oil into another water-bubbling bottle.« less

Method of increasing biodegradation of sparingly soluble vapors

DOEpatents

Cherry, Robert S.

2000-01-01

A method for increasing biodegradation of sparingly soluble volatile organic compounds (VOCs) in a bioreactor is disclosed. The method comprises dissolving in the aqueous phase of the bioreactor a water soluble, nontoxic, non-biodegradable polymer having a molecular weight of at least 500 and operable for decreasing the distribution coefficient of the VOCs. Polyoxyalkylene alkanols are preferred polymers. A method of increasing the growth rate of VOC-degrading microorganisms in the bioreactor and a method of increasing the solubility of sparingly soluble VOCs in aqueous solution are also disclosed.

Predicting phase equilibria in one-component systems

NASA Astrophysics Data System (ADS)

Korchuganova, M. R.; Esina, Z. N.

2015-07-01

It is shown that Simon equation coefficients for n-alkanes and n-alcohols can be modeled using critical and triple point parameters. Predictions of the phase liquid-vapor, solid-vapor, and liquid-solid equilibria in one-component systems are based on the Clausius-Clapeyron relation, Van der Waals and Simon equations, and the principle of thermodynamic similarity.

Simplified thermodynamic functions for vapor-liquid phase separation and fountain effect pumps

NASA Technical Reports Server (NTRS)

Yuan, S. W. K.; Hepler, W. A.; Frederking, T. H. K.

1984-01-01

He-4 fluid handling devices near 2 K require novel components for non-Newtonian fluid transport in He II. Related sizing of devices has to be based on appropriate thermophysical property functions. The present paper presents simplified equilibrium state functions for porous media components which serve as vapor-liquid phase separators and fountain effect pumps.

THE EFFECT OF WATER (VAPOR-PHASE) AND CARBON ON ELEMENTAL MERCURY REMOVAL IN A FLOW REACTOR

EPA Science Inventory

The paper gives results of studying the effect of vapor-phase moisture on elemental mercury (Hgo) removal by activated carbon (AC) in a flow reactor. tests involved injecting AC into both a dry and a 4% moisture nitrogen (N2) /Hgo gas stream. A bituminous-coal-based AC (Calgon WP...

Local mass and energy transports in evaporation processes from a vapor-liquid interface in a slit pore based on molecular dynamics

NASA Astrophysics Data System (ADS)

Fujiwara, K.; Shibahara, M.

2018-02-01

Molecular evaporation processes from a vapor-liquid interface formed in a slit-like pore were examined based on the classical molecular dynamics method, in order to elucidate a molecular mechanism of local mass and energy transports in a slit. The calculation system consisted of monatomic molecules and atoms which interact through the 12-6 Lennard-Jones potential. At first, a liquid was situated in a slit with a vapor-liquid interface, and instantaneous amounts of the mass and energy fluxes defined locally in the slit were obtained in two dimensions to reveal local fluctuation properties of the fluid in equilibrium states. Then, imposing a temperature gradient in the calculation system, non-equilibrium evaporation processes in the slit were investigated in details based on the local mass and energy fluxes. In this study, we focused on the fluid which is in the vicinity of the solid surface and in contact with the vapor phase. In the non-equilibrium evaporation processes, the results revealed that the local energy transport mechanism in the vicinity of the solid surface is different from that of the vapor phase, especially in the case of the relatively strong fluid-solid interaction. The results also revealed that the local mass transport in the vicinity of the solid surface can be interpreted based on the mechanism of the local energy transport, and the mechanism provides valuable information about pictures of the evaporation phenomena especially in the vicinity of the hydrophilic surfaces. It suggests that evaluating and changing this mechanism of the local energy transport are necessary to control the local mass flux more precisely in the vicinity of the solid surface.

Effects of allspice, cinnamon, and clove bud essential oils in edible apple films on physical properties and antimicrobial activities.

PubMed

Du, W-X; Olsen, C W; Avena-Bustillos, R J; McHugh, T H; Levin, C E; Friedman, Mendel

2009-09-01

Essential oils (EOs) derived from plants are rich sources of volatile terpenoids and phenolic compounds. Such compounds have the potential to inactivate pathogenic bacteria on contact and in the vapor phase. Edible films made from fruits or vegetables containing EOs can be used commercially to protect food against contamination by pathogenic bacteria. EOs from cinnamon, allspice, and clove bud plants are compatible with the sensory characteristics of apple-based edible films. These films could extend product shelf life and reduce risk of pathogen growth on food surfaces. This study evaluated physical properties (water vapor permeability, color, tensile properties) and antimicrobial activities against Escherichia coli O157:H7, Salmonella enterica, and Listeria monocytogenes of allspice, cinnamon, and clove bud oils in apple puree film-forming solutions formulated into edible films at 0.5% to 3% (w/w) concentrations. Antimicrobial activities were determined by 2 independent methods: overlay of the film on top of the bacteria and vapor phase diffusion of the antimicrobial from the film to the bacteria. The antimicrobial activities against the 3 pathogens were in the following order: cinnamon oil > clove bud oil > allspice oil. The antimicrobial films were more effective against L. monocytogenes than against the S. enterica. The oils reduced the viscosity of the apple solutions and increased elongation and darkened the colors of the films. They did not affect water vapor permeability. The results show that apple-based films with allspice, cinnamon, or clove bud oils were active against 3 foodborne pathogens by both direct contact with the bacteria and indirectly by vapors emanating from the films.

In vitro inhibitory activity of essential oil vapors against Ascosphaera apis.

PubMed

Kloucek, Pavel; Smid, Jakub; Flesar, Jaroslav; Havlik, Jaroslav; Titera, Dalibor; Rada, Vojtech; Drabek, Ondrej; Kokoska, Ladislav

2012-02-01

This work evaluates the in vitro inhibitory activity of 70 essential oils (EOs) in the vapor phase for the control of Chalkbrood disease caused by Ascosphaera apis Maassen ex Claussen (Olive et Spiltoir). Two wild strains isolated from infected honey bee colonies together with one standard collection strain were tested by the microatmosphere method. From 70 EOs, 39 exhibited an antifungal effect against A. apis standard and wild strains. The greatest antifungal action was observed for EO vapors from Armoracia rusticana, followed by Thymus vulgaris, Cymbopogon flexosus, Origanum vulgare and Allium sativum. An investigation of chemical composition by GC-MS revealed, that the most active EOs contained allyl isothiocyanate, citral, carvacrol and diallyl sulfides as the main constituents. The chemical composition plays a key role, as activities of different EOs from the same botanical species were different according to their composition.

Vapor-phase cristobalite as a durable indicator of magmatic pore structure and halogen degassing: an example from White Island volcano (New Zealand)

NASA Astrophysics Data System (ADS)

Ian Schipper, C.; Mandon, Céline; Maksimenko, Anton; Castro, Jonathan M.; Conway, Chris E.; Hauer, Peter; Kirilova, Martina; Kilgour, Geoff

2017-10-01

Vesicles in volcanic rocks are physical records of magmatic degassing; however, the interpretation of their textures is complicated by resorption, coalescence, and collapse. We discuss the textural significance of vesicle-hosted vapor-phase cristobalite (high-T, low-P SiO2 polymorph), and its utility as a complement to textural assessments of magmatic degassing, using a representative dacite bomb erupted from White Island volcano (New Zealand) in 1999. Imaging in 2D (SEM) and 3D (CT) shows the bomb to have 56% bulk porosity, almost all of which is connected ( 99%) and devoid of SiO2 phases. The remaining ( 1%) of porosity is in isolated, sub-spherical vesicles that have corroded walls and contain small (< 30 μm across) prismatic vapor-phase cristobalite crystals (98.4 ± 0.4 wt.% SiO2 with diagnostic laser Raman spectra). Halogen degassing models show vapor-phase cristobalite to be indicative of closed-system chlorine and fluorine partitioning into H2O-rich fluid in isolated pores. At White Island, this occurred during shallow (< 100s of meters) ascent and extensive ( 50%) groundmass crystallization associated with slow cooling in a volcanic plug. Pristine textures in this White Island bomb demonstrate the link between pore isolation and vapor-phase cristobalite deposition. We suggest that because these crystals have higher preservation potential than the bubbles in which they form, they can serve as durable, qualitative textural indicators of halogen degassing and pre-quench bubble morphologies in slowly cooled volcanic rocks (e.g., lava flows and domes), even where emplacement mechanisms have overprinted original bubble textures.

The Exploration Water Recovery System

NASA Technical Reports Server (NTRS)

ORourke, Mary Jane E.; Carter, Layne; Holder, Donald W.; Tomes, Kristin M.

2006-01-01

The Exploration Water Recovery System is designed towards fulfillment of NASA s Vision for Space Exploration, which will require elevation of existing technologies to higher levels of optimization. This new system, designed for application to the Exploration infrastructure, presents a novel combination of proven air and water purification technologies. The integration of unit operations is modified from that of the current state-of-the-art water recovery system so as to optimize treatment of the various waste water streams, contaminant loads, and flow rates. Optimization is achieved primarily through the removal of volatile organic contaminants from the vapor phase prior to their absorption into the liquid phase. In the current state-of-the-art system, the water vapor in the cabin atmosphere is condensed, and the volatile organic contaminants present in that atmosphere are absorbed into the aqueous phase. Removal of contaminants the5 occurs via catalytic oxidation in the liquid phase. Oxidation kinetics, however, dictate that removal of volatile organic contaminants from the vapor phase can inherently be more efficient than their removal from the aqueous phase. Taking advantage of this efficiency reduces the complexity of the water recovery system. This reduction in system complexity is accompanied by reductions in the weight, volume, power, and resupply requirements of the system. Vapor compression distillation technology is used to treat the urine, condensate, and hygiene waste streams. This contributes to the reduction in resupply, as incorporation of vapor compression distillation technology at this point in the process reduces reliance on the expendable ion exchange and adsorption media used in the current state-of-the-art water recovery system. Other proven technologies that are incorporated into the Exploration Water Recovery System include the Trace Contaminant Control System and the Volatile Removal Assembly.

Chemistry of vaporization of refractory materials

NASA Technical Reports Server (NTRS)

Gilles, P. W.

1975-01-01

A discussion is given of the principles of physical chemistry important in vaporization studies, notably the concepts of equilibrium, phase behavior, thermodynamics, solid solution, and kinetics. The important factors influencing equilibrium vaporization phenomena are discussed and illustrated. A proper course of a vaporization study consisting of 9 stages is proposed. The important experimental techniques of Knudsen effusion, Langmuir vaporization and mass spectrometry are discussed. The principles, the factors, the course of a study and the experimental techniques and procedures are illustrated by recent work on the Ti-O system.

Texas A&M vortex type phase separator

NASA Astrophysics Data System (ADS)

Best, Frederick

2000-01-01

Phase separation is required for regenerative biological and chemical process systems as well as thermal transport and rejection systems. Liquid and gas management requirements for future spacecraft will demand small, passive systems able to operate over wide ranges of inlet qualities. Conservation and recycling of air and water is a necessary part of the construction and operation of the International Space Station as well as future long duration space missions. Space systems are sensitive to volume, mass, and power. Therefore, it is necessary to develop a method to recycle wastewater with minimal power consumption. Regenerative life support systems currently being investigated require phase separation to separate the liquid from the gas produced. The microgravity phase separator designed and fabricated at Texas A&M University relies on centripetal driven buoyancy forces to form a gas-liquid vortex within a fixed, right-circular cylinder. Two-phase flow is injected tangentially along the inner wall of this cylinder producing a radial acceleration gradient. The gradient produced from the intrinsic momentum of the injected mixture results in a rotating flow that drives the buoyancy process by the production of a hydrostatic pressure gradient. Texas A&M has flown several KC-135 flights with separator. These flights have included scaling studies, stability and transient investigations, and tests for inventory instrumentation. Among the hardware tested have been passive devices for separating mixed vapor/liquid streams into single-phase streams of vapor only and liquid only. .

Determination of the enthalpy of vaporization and prediction of surface tension for ionic liquid 1-alkyl-3-methylimidazolium propionate [C(n)mim][Pro](n = 4, 5, 6).

PubMed

Tong, Jing; Yang, Hong-Xu; Liu, Ru-Jing; Li, Chi; Xia, Li-Xin; Yang, Jia-Zhen

2014-11-13

With the use of isothermogravimetrical analysis, the enthalpies of vaporization, Δ(g)lH(o)m(T(av)), at the average temperature, T(av) = 445.65 K, for the ionic liquids (ILs) 1-alkyl-3-methylimidazolium propionate [C(n)mim][Pro](n = 4, 5, 6) were determined. Using Verevkin's method, the difference of heat capacities between the vapor phase and the liquid phase, Δ(g)lC(p)(o)m, for [C(n)mim][Pro](n = 2, 3, 4, 5, 6), were calculated based on the statistical thermodynamics. Therefore, with the use of Δ(g)lC(p)(o)m, the values of Δ(g)lH(o)m(T(av)) were transformed into Δ(g)lH(o)m(298), 126.8, 130.3, and 136.5 for [C(n)mim][Pro](n = 4, 5, 6), respectively. In terms of the new scale of polarity for ILs, the order of the polarity of [C(n)mim][Pro](n = 2, 3, 4, 5, 6) was predicted, that is, the polarity decreases with increasing methylene. A new model of the relationship between the surface tension and the enthalpy of vaporization for aprotic ILs was put forward and used to predict the surface tension for [C(n)mim][Pro](n = 2, 3, 4, 5, 6) and others. The predicted surface tension for the ILs is in good agreement with the experimental one.

PESTICIDE MODELS FOR SIMULATING ENVIRONMENTAL TRANSPORT OF SOIL FUMIGANTS

USDA-ARS?s Scientific Manuscript database

Soil fumigants are a special group of pesticides that possess relatively high vapor pressure. Thus a large fraction is in the vapor phase after application in the substrate soil environment. Because of the high vapor pressure, they are also volatile organic compounds with strong potential for air p...

Antibacterial Effects of Allspice, Garlic, and Oregano Essential Oils in Tomato Films Determined by Overlay and Vapor-Phase Methods

USDA-ARS?s Scientific Manuscript database

Physical properties as well as antimicrobial activities against Escherichia coli O157:H7, Salmonella enterica and Listeria monocytogenes of allspice, garlic and oregano essential oils (EOs) in tomato puree film forming solutions (TPFFS) formulated into edible films at 0.5-3.0% (w/w) concentrations w...

Characterization of HgCdTe and Related Materials and Substrates for Third Generation Infrared Detectors

DTIC Science & Technology

2012-12-01

metal-organic vapor phase epitaxy (MOVPE); (iii) convenient n-type and p- type dopants; (iv) versatile methods for forming mesas , planar homojunctions...S. Kim, E. Plis, J. B. Rodriguez , G. D. Bishop, Y. D. Sharma, L. R. Dawson, S. Krishna, J. Bundas, R. Cook, D. Burrows, R. Dennis, K. Patnaude, A

Bacterial chemotaxis along vapor-phase gradients of naphthalene.

PubMed

Hanzel, Joanna; Harms, Hauke; Wick, Lukas Y

2010-12-15

The role of bacterial growth and translocation for the bioremediation of organic contaminants in the vadose zone is poorly understood. Whereas air-filled pores restrict the mobility of bacteria, diffusion of volatile organic compounds in air is more efficient than in water. Past research, however, has focused on chemotactic swimming of bacteria along gradients of water-dissolved chemicals. In this study we tested if and to what extent Pseudomonas putida PpG7 (NAH7) chemotactically reacts to vapor-phase gradients forming above their swimming medium by the volatilization from a spot source of solid naphthalene. The development of an aqueous naphthalene gradient by air-water partitioning was largely suppressed by means of activated carbon in the agar. Surprisingly, strain PpG7 was repelled by vapor-phase naphthalene although the steady state gaseous concentrations were 50-100 times lower than the aqueous concentrations that result in positive chemotaxis of the same strain. It is thus assumed that the efficient gas-phase diffusion resulting in a steady, and possibly toxic, naphthalene flux to the cells controlled the chemotactic reaction rather than the concentration to which the cells were exposed. To our knowledge this is the first demonstration of apparent chemotactic behavior of bacteria in response to vapor-phase effector gradients.

Vapor-Phase Stoichiometry and Heat Treatment of CdTe Starting Material for Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Sha, Yi-Gao; Lehoczky, S. L.; Liu, Hao-Chieh; Fang, Rei; Brebrick, R. F.

1998-01-01

Six batches of CdTe, having total amounts of material from 99 to 203 g and gross mole fraction of Te, X(sub Te), 0.499954-0.500138, were synthesized from pure Cd and Te elements. The vapor-phase stoichiometry of the assynthesized CdTe batches was determined from the partial pressure of Te2, P(sub Te2) using an optical absorption technique. The measured vapor compositions at 870 C were Te-rich for all of the batches with partial pressure ratios of Cd to Te2, P(sub Cd)/P(sub Te2), ranging from 0.00742 to 1.92. After the heat treatment of baking under dynamic vacuum at 870 C for 8 min, the vapor-phase compositions moved toward that of the congruent sublimation, i.e. P(sub Cd)/P(sub Te2) = 2.0, with the measured P(sub Cd)/P(sub Te2) varying from 1.84 to 3.47. The partial pressure measurements on one of the heat-treated samples also showed that the sample remained close to the congruent sublimation condition over the temperature range 800-880 C.

Water Sorption and Vapor-Phase Deuterium Exchange Studies on Methemoglobin CC, SC, SS, AS, and AA

PubMed Central

Killion, Philip J.; Cameron, Bruce F.

1972-01-01

Five hemoglobins whose genetic relationship to one another involves one set of alleles, hemoglobins CC, SC, SS, AS, and AA, were studied in the Met form. Two different investigations were conducted at 28°C on these methemoglobins within a McBain gravimetric sorption system: sorption of H2O vapor and vapor-phase deuterium-hydrogen exchange. For each of the five samples there was close agreement between the per cent hydration of polar sites as determined from sorption studies and the maximum per cent of labile hydrogens that were exchanged during the vapor-phase deuterium exchange study. Both studies measured a slight increase in the number of polar sites accessible to H2O or D2O vapor for those samples in which the substituent in the sixth position from the N-terminus of the two β-chains had a positively charged side chain and a slight decrease for those in which the substituent had a negatively charged side chain. The in-exchange of deuterium for hydrogen occurred at a faster observed rate than the out-exchange of hydrogen for deuterium. PMID:5030563

Formation of the molecular crystal structure during the vacuum sublimation of paracetamol

NASA Astrophysics Data System (ADS)

Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.; Bordei, N. S.

2015-04-01

The results from structural and thermal studies on the formation of molecular crystals during the vacuum sublimation of paracetamol from its vapor phase are given. It is established that the vapor-crystal phase transition proceeds in a complicated way as the superposition of two phase transitions: a first-order phase transition with a change in density, and a second-order phase transition with a change in ordering. It is shown that the latter is a smeared phase transition that proceeds with the formation of a pretransitional phase that is irreversibly dissipated during phase transformation, leading to the formation of crystals of the rhombic syngony. Data from differential scanning calorimetry and X-ray diffraction analysis are presented along with microphotographs.

Research on the use of space resources

NASA Technical Reports Server (NTRS)

Carroll, W. F. (Editor)

1983-01-01

The second year of a multiyear research program on the processing and use of extraterrestrial resources is covered. The research tasks included: (1) silicate processing, (2) magma electrolysis, (3) vapor phase reduction, and (4) metals separation. Concomitant studies included: (1) energy systems, (2) transportation systems, (3) utilization analysis, and (4) resource exploration missions. Emphasis in fiscal year 1982 was placed on the magma electrolysis and vapor phase reduction processes (both analytical and experimental) for separation of oxygen and metals from lunar regolith. The early experimental work on magma electrolysis resulted in gram quantities of iron (mixed metals) and the identification of significant anode, cathode, and container problems. In the vapor phase reduction tasks a detailed analysis of various process concepts led to the selection of two specific processes designated as ""Vapor Separation'' and ""Selective Ionization.'' Experimental work was deferred to fiscal year 1983. In the Silicate Processing task a thermophysical model of the casting process was developed and used to study the effect of variations in material properties on the cooling behavior of lunar basalt.

Analysis of Two-Phase Flow in Damper Seals for Cryogenic Turbopumps

NASA Technical Reports Server (NTRS)

Arauz, Grigory L.; SanAndres, Luis

1996-01-01

Cryogenic damper seals operating close to the liquid-vapor region (near the critical point or slightly su-cooled) are likely to present two-phase flow conditions. Under single phase flow conditions the mechanical energy conveyed to the fluid increases its temperature and causes a phase change when the fluid temperature reaches the saturation value. A bulk-flow analysis for the prediction of the dynamic force response of damper seals operating under two-phase conditions is presented as: all-liquid, liquid-vapor, and all-vapor, i.e. a 'continuous vaporization' model. The two phase region is considered as a homogeneous saturated mixture in thermodynamic equilibrium. Th flow in each region is described by continuity, momentum and energy transport equations. The interdependency of fluid temperatures and pressure in the two-phase region (saturated mixture) does not allow the use of an energy equation in terms of fluid temperature. Instead, the energy transport is expressed in terms of fluid enthalpy. Temperature in the single phase regions, or mixture composition in the two phase region are determined based on the fluid enthalpy. The flow is also regarded as adiabatic since the large axial velocities typical of the seal application determine small levels of heat conduction to the walls as compared to the heat carried by fluid advection. Static and dynamic force characteristics for the seal are obtained from a perturbation analysis of the governing equations. The solution expressed in terms of zeroth and first order fields provide the static (leakage, torque, velocity, pressure, temperature, and mixture composition fields) and dynamic (rotordynamic force coefficients) seal parameters. Theoretical predictions show good agreement with experimental leakage pressure profiles, available from a Nitrogen at cryogenic temperatures. Force coefficient predictions for two phase flow conditions show significant fluid compressibility effects, particularly for mixtures with low mass content of vapor. Under these conditions, an increase on direct stiffness and reduction of whirl frequency ratio are shown to occur. Prediction of such important effects will motivate experimental studies as well as a more judicious selection of the operating conditions for seals used in cryogenic turbomachinery.

Determination of methyl mercury by aqueous phase Eehylation, followed by gas chromatographic separation with cold vapor atomic fluorescence detection

USGS Publications Warehouse

De Wild, John F.; Olsen, Mark L.; Olund, Shane D.

2002-01-01

A recent national sampling of streams in the United States revealed low methyl mercury concentrations in surface waters. The resulting median and mean concentrations, calculated from 104 samples, were 0.06 nanograms per liter (ng/L) and 0.15 ng/L, respectively. This level of methyl mercury in surface water in the United States has created a need for analytical techniques capable of detecting sub-nanogram per liter concentrations. In an attempt to create a U.S. Geological Survey approved method, the Wisconsin District Mercury Laboratory has adapted a distillation/ethylation/ gas-phase separation method with cold vapor atomic fluorescence spectroscopy detection for the determination of methyl mercury in filtered and unfiltered waters. This method is described in this report. Based on multiple analyses of surface water and ground-water samples, a method detection limit of 0.04 ng/L was established. Precision and accuracy were evaluated for the method using both spiked and unspiked ground-water and surface-water samples. The percent relative standard deviations ranged from 10.2 to 15.6 for all analyses at all concentrations. Average recoveries obtained for the spiked matrices ranged from 88.8 to 117 percent. The precision and accuracy ranges are within the acceptable method-performance limits. Considering the demonstrated detection limit, precision, and accuracy, the method is an effective means to quantify methyl mercury in waters at or below environmentally relevant concentrations

Effects of elongation on the phase behavior of the Gay-Berne fluid

NASA Astrophysics Data System (ADS)

Brown, Julian T.; Allen, Michael P.; Martín del Río, Elvira; Miguel, Enrique De

1998-06-01

In this paper we present a computer simulation study of the phase behavior of the Gay-Berne liquid crystal model, concentrating on the effects of varying the molecular elongation κ. We study a range of length-to-width parameters 3<=κ<=4, using a variety of molecular dynamics and Monte Carlo techniques, obtaining a guide to the phase behavior for each shape studied. We observe vapor (V), isotropic liquid (I), nematic (N), smectic-A (SA) and smectic-B (SB) liquid crystal phases. Within the small range of elongation studied, the phase diagram shows significant changes. On increasing κ, the liquid-vapor critical point moves to lower temperature until it falls below the I-SB coexistence line, around κ=3.4, where liquid-vapor coexistence proves hard to establish. The liquid-vapor critical point seems to be completely absent at κ=4.0. Another dramatic effect is the growth of a stable SA ``island'' in the phase diagram at elongations slightly above κ=3.0. The SA range extends to both higher and lower temperatures as κ is increased. Also as κ is increased, the I-N transition is seen to move to lower density (and pressure) at given temperature. The lowest temperature at which the nematic phase is stable does not vary dramatically with κ. On cooling, no SB-crystal transition can be identified in the equation of state for any of these elongations; we suggest that, on the basis of simulation evidence, SB and crystal are really the same phase for these models.

Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions

NASA Astrophysics Data System (ADS)

Engelmann, Yannick; Bogaerts, Annemie; Neyts, Erik C.

2014-09-01

Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.

Enthalpies of Formation of Hydrazine and Its Derivatives.

PubMed

Dorofeeva, Olga V; Ryzhova, Oxana N; Suchkova, Taisiya A

2017-07-20

Enthalpies of formation, Δ f H 298 ° , in both the gas and condensed phase, and enthalpies of sublimation or vaporization have been estimated for hydrazine, NH 2 NH 2 , and its 36 various derivatives using quantum chemical calculations. The composite G4 method has been used along with isodesmic reaction schemes to derive a set of self-consistent high-accuracy gas-phase enthalpies of formation. To estimate the enthalpies of sublimation and vaporization with reasonable accuracy (5-20 kJ/mol), the method of molecular electrostatic potential (MEP) has been used. The value of Δ f H 298 ° (NH 2 NH 2 ,g) = 97.0 ± 3.0 kJ/mol was determined from 75 isogyric reactions involving about 50 reference species; for most of these species, the accurate Δ f H 298 ° (g) values are available in Active Thermochemical Tables (ATcT). The calculated value is in excellent agreement with the reported results of the most accurate models based on coupled cluster theory (97.3 kJ/mol, the average of six calculations). Thus, the difference between the values predicted by high-level theoretical calculations and the experimental value of Δ f H 298 ° (NH 2 NH 2 ,g) = 95.55 ± 0.19 kJ/mol recommended in the ATcT and other comprehensive reference sources is sufficiently large and requires further investigation. Different hydrazine derivatives have been also considered in this work. For some of them, both the enthalpy of formation in the condensed phase and the enthalpy of sublimation or vaporization are available; for other compounds, experimental data for only one of these properties exist. Evidence of accuracy of experimental data for the first group of compounds was provided by the agreement with theoretical Δ f H 298 ° (g) value. The unknown property for the second group of compounds was predicted using the MEP model. This paper presents a systematic comparison of experimentally determined enthalpies of formation and enthalpies of sublimation or vaporization with the results of calculations. Because of relatively large uncertainty in the estimated enthalpies of sublimation, it was not always possible to evaluate the accuracy of the experimental values; however, this model allowed us to detect large errors in the experimental data, as in the case of 5,5'-hydrazinebistetrazole. The enthalpies of formation and enthalpies of sublimation or vaporization have been predicted for the first time for ten hydrazine derivatives with no experimental data. A recommended set of self-consistent experimental and calculated gas-phase enthalpies of formation of hydrazine derivatives can be used as reference Δ f H 298 ° (g) values to predict the enthalpies of formation of various hydrazines by means of isodesmic reactions.

Optical droplet vaporization of micron-sized perfluorocarbon droplets and their photoacoustic detection

NASA Astrophysics Data System (ADS)

Strohm, Eric; Rui, Min; Gorelikov, Ivan; Matsuura, Naomi; Kolios, Michael

2011-03-01

An acoustic and photoacoustic characterization of micron-sized perfluorocarbon (PFC) droplets is presented. PFC droplets are currently being investigated as acoustic and photoacoustic contrast agents and as cancer therapy agents. Pulse echo measurements at 375 MHz were used to determine the diameter, ranging from 3.2 to 6.5 μm, and the sound velocity, ranging from 311 to 406 m/s of nine droplets. An average sound velocity of 379 +/- 18 m/s was calculated for droplets larger than the ultrasound beam width of 4.0 μm. Optical droplet vaporization, where vaporization of a single droplet occurred upon laser irradiation of sufficient intensity, was verified using pulse echo acoustic methods. The ultrasonic backscatter amplitude, acoustic impedance and attenuation increased after vaporization, consistent with a phase change from a liquid to gas core. Photoacoustic measurements were used to compare the spectra of three droplets ranging in diameter from 3.0 to 6.2 μm to a theoretical model. Good agreement in the spectral features was observed over the bandwidth of the 375 MHz transducer.

Cavitating flow during water hammer using a generalized interface vaporous cavitation model

NASA Astrophysics Data System (ADS)

Sadafi, Mohamadhosein; Riasi, Alireza; Nourbakhsh, Seyed Ahmad

2012-10-01

In a transient flow simulation, column separation may occur when the calculated pressure head decreases to the saturated vapor pressure head in a computational grid. Abrupt valve closure or pump failure can result in a fast transient flow with column separation, potentially causing problems such as pipe failure, hydraulic equipment damage, cavitation or corrosion. This paper reports a numerical study of water hammer with column separation in a simple reservoir-pipeline-valve system and pumping station. The governing equations for two-phase transient flow in pipes are solved based on the method of characteristics (MOC) using a generalized interface vaporous cavitating model (GIVCM). The numerical results were compared with the experimental data for validation purposes, and the comparison indicated that the GIVCM describes the experimental results more accurately than the discrete vapor cavity model (DVCM). In particular, the GIVCM correlated better with the experimental data than the DVCM in terms of timing and pressure magnitude. The effects of geometric and hydraulic parameters on flow behavior in a pumping station with column separation were also investigated in this study.

Structure-property relationships in halogenbenzoic acids: Thermodynamics of sublimation, fusion, vaporization and solubility.

PubMed

Zherikova, Kseniya V; Svetlov, Aleksey A; Kuratieva, Natalia V; Verevkin, Sergey P

2016-10-01

Temperature dependences of vapor pressures for 2-, 3-, and 4-bromobenzoic acid, as well as for five isomeric bromo-methylbenzoic acids were studied by the transpiration method. Melting temperatures and enthalpies of fusion for all isomeric bromo-methylbenzoic acids and 4-bromobenzoic acid were measured with a DSC. The molar enthalpies of sublimation and vaporization were derived. These data together with results available in the literature were collected and checked for internal consistency using a group-additivity procedure and results from X-ray structural diffraction studies. Specific (hydrogen bonding) interactions in the liquid and in the crystal phase of halogenbenzoic acids were quantified based on experimental values of vaporization and sublimation enthalpies. Structure-property correlations of solubilities of halogenobenzoic acids with sublimation pressures and sublimation enthalpies were developed and solubilities of bromo-benzoic acids were estimated. These new results resolve much of the ambiguity in the available thermochemical and solubility data on bromobenzoic acids. The approach based on structure property correlations can be applied for the assessment of water solubility of sparingly soluble drugs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Vapor-liquid phase behavior of a size-asymmetric model of ionic fluids confined in a disordered matrix: The collective-variables-based approach

NASA Astrophysics Data System (ADS)

Patsahan, O. V.; Patsahan, T. M.; Holovko, M. F.

2018-02-01

We develop a theory based on the method of collective variables to study the vapor-liquid equilibrium of asymmetric ionic fluids confined in a disordered porous matrix. The approach allows us to formulate the perturbation theory using an extension of the scaled particle theory for a description of a reference system presented as a two-component hard-sphere fluid confined in a hard-sphere matrix. Treating an ionic fluid as a size- and charge-asymmetric primitive model (PM) we derive an explicit expression for the relevant chemical potential of a confined ionic system which takes into account the third-order correlations between ions. Using this expression, the phase diagrams for a size-asymmetric PM are calculated for different matrix porosities as well as for different sizes of matrix and fluid particles. It is observed that general trends of the coexistence curves with the matrix porosity are similar to those of simple fluids under disordered confinement, i.e., the coexistence region gets narrower with a decrease of porosity and, simultaneously, the reduced critical temperature Tc* and the critical density ρi,c * become lower. At the same time, our results suggest that an increase in size asymmetry of oppositely charged ions considerably affects the vapor-liquid diagrams leading to a faster decrease of Tc* and ρi,c * and even to a disappearance of the phase transition, especially for the case of small matrix particles.

Predicting the enthalpies of melting and vaporization for pure components

NASA Astrophysics Data System (ADS)

Esina, Z. N.; Korchuganova, M. R.

2014-12-01

A mathematical model of the melting and vaporization enthalpies of organic components based on the theory of thermodynamic similarity is proposed. In this empirical model, the phase transition enthalpy for the homological series of n-alkanes, carboxylic acids, n-alcohols, glycols, and glycol ethers is presented as a function of the molecular mass, the number of carbon atoms in a molecule, and the normal transition temperature. The model also uses a critical or triple point temperature. It is shown that the results from predicting the melting and vaporization enthalpies enable the calculation of binary phase diagrams.

Experimental investigation of the phase equilibria in the carbon dioxide-propane-3 M MDEA system

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

Jou, F.Y.; Mather, A.E.; Otto, F.D.

1995-07-01

The treating of liquefied petroleum gas (LPG) to remove carbon dioxide and hydrogen sulfide using aqueous alkanolamine solutions is an important aspect of gas processing. One of the amines used in the natural gas industry is methyldiethanolamine (MDEA). Measurements of the phase equilibria in the carbon dioxide-propane-3 M MDEA system have been made at 25 and 40 C at pressures up to 15.5 MPa. Vapor-liquid, liquid-liquid, and vapor-liquid-liquid equilibria were determined. The vapor-liquid equilibrium data were compared with the model of Deshmukh and Mather.

Vapor-liquid phase separator permeability results

NASA Technical Reports Server (NTRS)

Yuan, S. W. K.; Frederking, T. H. K.

1981-01-01

Continued studies are described in the area of vapor-liquid phase separator work with emphasis on permeabilities of porous sintered plugs (stainless steel, nominal pore size 2 micrometer). The temperature dependence of the permeability has been evaluated in classical fluid using He-4 gas at atmospheric pressure and in He-2 on the basis of a modified, thermosmotic permeability of the normal fluid.

An evaluation of the vapor phase catalytic ammonia removal process for use in a Mars transit vehicle.

PubMed

Flynn, M; Borchers, B

1998-01-01

This article describes the design specification of the Vapor Phase Catalytic Ammonia Removal (VPCAR) process and the relative benefits of its utilization in a Mars Transit Vehicle application. The VPCAR process is a wastewater treatment technology that combines distillation with high-temperature catalytic oxidation of volatile impurities such as ammonia and organic compounds.

Impact of Moisture Content and Grain Size on Hydrocarbon Diffusion in Porous Media

NASA Astrophysics Data System (ADS)

McLain, A. A.; Ho, C. K.

2001-12-01

Diffusion of hydrocarbon vapors in porous media can play an important role in our ability to characterize subsurface contaminants such as trichloroethylene (TCE). For example, traditional monitoring methods often rely on direct sampling of contaminated soils or vapor. These samples may be influenced by the diffusion of vapors away from the contaminant source term, such as non-aqueous-phase TCE liquid. In addition, diffusion of hydrocarbon vapors can also impact the migration and dispersion of the contaminant in the subsurface. Therefore, understanding the diffusion rates and vapor transport processes of hydrocarbons in variably-saturated, heterogeneous porous media will assist in the characterization and detection of these subsurface contaminants. The purpose of this study was to investigate the impact of soil heterogeneity and water-moisture content on the diffusion processes for TCE. A one-dimensional column experiment was used to monitor the rates of vapor diffusion through sand. Experiments were performed with different average water-moisture contents and different grain sizes. On one end of the column, a reservoir cap is used to encase the TCE, providing a constant vapor boundary condition while sealing the end. The other end of the column contains a novel microchemical sensor. The sensor employs a polymer-absorption resistor (chemiresistor) that reversibly swells and increases in resistance when exposed to hydrocarbons. Once calibrated, the chemiresistors can be used to passively monitor vapor concentrations. This unique method allows the detection of in-situ vapor concentrations without disturbing the local environment. Results are presented in the form of vapor-concentration breakthrough curves as detected by the sensor. The shape of the breakthrough curve is dependent on several key parameters, including the length of the column and parameters (e.g., water-moisture content and grain-size) that affect the effective diffusion coefficient of TCE in air. Comparisons are made between theoretical and observed breakthrough curves to evaluate the diffusion of TCE and other relevant physical processes (e.g., air-water partitioning of TCE). The relative impact of water-moisture content and grain size on the diffusion of TCE vapor in porous media is also addressed. The authors thank Bob Hughes, who developed the chemiresistor sensors, and Chad Davis, who assisted with the calibrations. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000.

Influence of phase transition on the instability of a liquid-vapor interface in a gravitational field

NASA Astrophysics Data System (ADS)

Konovalov, V. V.; Lyubimov, D. V.; Lyubimova, T. P.

2017-06-01

This study is concerned with the linear stability of the horizontal interface between thick layers of a viscous heat-conducting liquid and its vapor in a gravitational field subject to phase transition. We consider the case when the hydrostatic base state is consistent with a balanced heat flux at the liquid-vapor interface. The corrections to the growth rate of the most dangerous perturbations and cutoff wave number, characterizing the influence of phase transition on the Rayleigh-Taylor instability, are found to be different from the data in the literature. Most of the previous results were obtained in the framework of a quasiequilibrium approximation, which had been shown to conform to the limit of thin media layers under equality of the interface temperature to a saturation temperature. The main difference from the results obtained with the quasiequilibrium approach is new values of the proportionality coefficients that correlate our corrections with the intensity of weak heating. Moreover, at large values of the heat flux rate, when deviations from the approximate linear law are important, the effect of phase transition is limited and does not exceed the size of the vapor viscosity effect.

Self-catalyzed GaAs nanowires on silicon by hydride vapor phase epitaxy.

PubMed

Dong, Zhenning; André, Yamina; Dubrovskii, Vladimir G; Bougerol, Catherine; Leroux, Christine; Ramdani, Mohammed R; Monier, Guillaume; Trassoudaine, Agnès; Castelluci, Dominique; Gil, Evelyne

2017-03-24

Gold-free GaAs nanowires on silicon substrates can pave the way for monolithic integration of photonic nanodevices with silicon electronic platforms. It is extensively documented that the self-catalyzed approach works well in molecular beam epitaxy but is much more difficult to implement in vapor phase epitaxies. Here, we report the first gallium-catalyzed hydride vapor phase epitaxy growth of long (more than 10 μm) GaAs nanowires on Si(111) substrates with a high integrated growth rate up to 60 μm h -1 and pure zincblende crystal structure. The growth is achieved by combining a low temperature of 600 °C with high gaseous GaCl/As flow ratios to enable dechlorination and formation of gallium droplets. GaAs nanowires exhibit an interesting bottle-like shape with strongly tapered bases, followed by straight tops with radii as small as 5 nm. We present a model that explains the peculiar growth mechanism in which the gallium droplets nucleate and rapidly swell on the silicon surface but then are gradually consumed to reach a stationary size. Our results unravel the necessary conditions for obtaining gallium-catalyzed GaAs nanowires by vapor phase epitaxy techniques.

An Experimental Visualization and Image Analysis of Electrohydrodynamically Induced Vapor-Phase Silicon Oil Flow under DC Corona Discharge

NASA Astrophysics Data System (ADS)

Ohyama, Ryu-Ichiro; Fukumoto, Masaru

A DC corona discharge induced electrohydrodynamic (EHD) flow phenomenon for a multi-phase fluid containing a vapor-phase dielectric liquid in the fresh air was investigated. The experimental electrode system was a simple arrangement of needle-plate electrodes for the corona discharges and high-resistivity silicon oil was used as the vapor-phase liquid enclosure. The qualitative observation of EHD flow patterns was conducted by an optical processing on computer tomography and the time-series of discharge current pulse generations at corona discharge electrode were measured simultaneously. These experimental results were analyzed in relationship between the EHD flow motions and the current pulse generations in synchronization. The current pulses and the EHD flow motions from the corona discharge electrode presented a continuous mode similar to the ionic wind in the fresh air and an intermittent mode. In the intermittent mode, the observed EHD flow motion was synchronized with the separated discharge pulse generations. From these experimental results, it was expected that the existence of silicon oil vapor trapped charges gave an occasion to the intermittent generations of the discharge pulses and the secondary EHD flow.

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.

Universal adsorption at the vapor-liquid interface near the consolute point

NASA Technical Reports Server (NTRS)

Schmidt, James W.

1990-01-01

The ellipticity of the vapor-liquid interface above mixtures of methylcyclohexane (C7H14) and perfluoromethylcyclohexane (C7F14) has been measured near the consolute point T(c) = 318.6 K. The data are consistent with a model of the interface that combines a short-ranged density-vs height profile in the vapor phase with a much longer-ranged composition-versus-height profile in the liquid. The value of the free parameter produced by fitting the model to the data is consistent with results from two other simple mixtures and a mixture of a polymer and solvent. This experiment combines precision ellipsometry of the vapor-liquid interface with in situ measurements of refractive indices of the liquid phases, and it precisely locates the consolute point.

Determination of Henry`s law constants by equilibrium partitioning in a closed system using a new in situ optical absorbance method

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

Allen, J.M.; Balcavage, W.X.; Ramachandran, B.R.

Currently, a great deal of interest exists in developing quantitative descriptions of the transport behavior for organic chemical compounds in the environment. Transport between water and air is of particular significance in this regard. A new method for measurement of thermodynamic Henry`s law constants (H) is reported. In this method, the optical absorbance of a dilute aqueous solution containing an organic compound is followed with time as the compound partitions into the air above the solution in a sealed vessel. The change in optical absorbance and the vapor to liquid volume ratio of the vessel are then used to calculatemore » the value for H. The concentration of the organic compound in the aqueous and vapor phases need not be known. This method allows the approach to equilibrium to be observed in real time so that attainment of equilibrium is readily apparent. This method works particularly well for water-soluble compounds having low vapor pressures. The applicability of this method is limited to compounds that exhibit significant optical absorbance in the ultraviolet and visible regions of the electromagnetic spectrum. Values for H and their temperature dependencies measured using this new method are reported for methacrolein, methyl vinyl ketone, benzaldehyde, and acetophenone. Values for H are also reported for benzene, toluene, and ethylbenzene at 298 K. All reported H data are compared with previously reported values.« less

The influence of liquid/vapor phase change onto the Nusselt number

NASA Astrophysics Data System (ADS)

Popescu, Elena-Roxana; Colin, Catherine; Tanguy, Sebastien

2017-11-01

In spite of its significant interest in various fields, there is currently a very few information on how an external flow will modify the evaporation or the condensation of a liquid surface. Although most applications involve turbulent flows, the simpler configuration where a laminar superheated or subcooled vapor flow is shearing a saturated liquid interface has still never been solved. Based on a numerical approach, we propose to characterize the interaction between a laminar boundary layer of a superheated or subcooled vapor flow and a static liquid pool at saturation temperature. By performing a full set of simulations sweeping the parameters space, correlations are proposed for the first time on the Nusselt number depending on the dimensionless numbers that characterize both vaporization and condensation. As attended, the Nusselt number decreases or increases in the configurations involving respectively vaporization or condensation. More unexpected is the behaviour of the friction of the vapor flow on the liquid pool, for which we report that it is weakly affected by the phase change, despite the important variation of the local flow structure due to evaporation or condensation.

Comparison study on the calculation formula of evaporation mass flux through the plane vapour-liquid interface

NASA Astrophysics Data System (ADS)

Zhang, L.; Li, Y. R.; Zhou, L. Q.; Wu, C. M.

2017-11-01

In order to understand the influence of various factors on the evaporation rate on the vapor-liquid interface, the evaporation process of water in pure steam environment was calculated based on the statistical rate theory (SRT), and the results were compared with those from the traditional Hertz-Knudsen equation. It is found that the evaporation rate on the vapor-liquid interface increases with the increase of evaporation temperature and evaporation temperature difference and the decrease of vapor pressure. When the steam is in a superheated state, even if the temperature of the liquid phase is lower than that of the vapor phase, the evaporation may also occur on the vapor-liquid interface; at this time, the absolute value of the critical temperature difference for occurring evaporation decreases with the increase of vapor pressure. When the evaporation temperature difference is smaller, the theoretical calculation results based on the SRT are basically the same as the predicated results from the Hertz-Knudsen equation; but the deviation between them increases with the increase of temperature difference.

Mid-infrared laser-absorption diagnostic for vapor-phase measurements in an evaporating n-decane aerosol

NASA Astrophysics Data System (ADS)

Porter, J. M.; Jeffries, J. B.; Hanson, R. K.

2009-09-01

A novel three-wavelength mid-infrared laser-based absorption/extinction diagnostic has been developed for simultaneous measurement of temperature and vapor-phase mole fraction in an evaporating hydrocarbon fuel aerosol (vapor and liquid droplets). The measurement technique was demonstrated for an n-decane aerosol with D 50˜3 μ m in steady and shock-heated flows with a measurement bandwidth of 125 kHz. Laser wavelengths were selected from FTIR measurements of the C-H stretching band of vapor and liquid n-decane near 3.4 μm (3000 cm -1), and from modeled light scattering from droplets. Measurements were made for vapor mole fractions below 2.3 percent with errors less than 10 percent, and simultaneous temperature measurements over the range 300 K< T<900 K were made with errors less than 3 percent. The measurement technique is designed to provide accurate values of temperature and vapor mole fraction in evaporating polydispersed aerosols with small mean diameters ( D 50<10 μ m), where near-infrared laser-based scattering corrections are prone to error.

Advanced deposition model for thermal activated chemical vapor deposition

NASA Astrophysics Data System (ADS)

Cai, Dang

Thermal Activated Chemical Vapor Deposition (TACVD) is defined as the formation of a stable solid product on a heated substrate surface from chemical reactions and/or dissociation of gaseous reactants in an activated environment. It has become an essential process for producing solid film, bulk material, coating, fibers, powders and monolithic components. Global market of CVD products has reached multi billions dollars for each year. In the recent years CVD process has been extensively used to manufacture semiconductors and other electronic components such as polysilicon, AlN and GaN. Extensive research effort has been directed to improve deposition quality and throughput. To obtain fast and high quality deposition, operational conditions such as temperature, pressure, fluid velocity and species concentration and geometry conditions such as source-substrate distance need to be well controlled in a CVD system. This thesis will focus on design of CVD processes through understanding the transport and reaction phenomena in the growth reactor. Since the in situ monitor is almost impossible for CVD reactor, many industrial resources have been expended to determine the optimum design by semi-empirical methods and trial-and-error procedures. This approach has allowed the achievement of improvements in the deposition sequence, but begins to show its limitations, as this method cannot always fulfill the more and more stringent specifications of the industry. To resolve this problem, numerical simulation is widely used in studying the growth techniques. The difficulty of numerical simulation of TACVD crystal growth process lies in the simulation of gas phase and surface reactions, especially the latter one, due to the fact that very limited kinetic information is available in the open literature. In this thesis, an advanced deposition model was developed to study the multi-component fluid flow, homogeneous gas phase reactions inside the reactor chamber, heterogeneous surface reactions on the substrate surface, conductive, convective, inductive and radiative heat transfer, species transport and thereto-elastic stress distributions. Gas phase and surface reactions are studied thermodynamically and kinetically. Based on experimental results, detailed reaction mechanisms are proposed and the deposition rates are predicted. The deposition model proposed could be used for other experiments with similar operating conditions. Four different growth systems are presented in this thesis to discuss comprehensive transport phenomena in crystal growth from vapor. The first is the polysilicon bulk growth by modified Siemens technique in which a silicon tube is used as the starting material. The research effort has been focused on system design, geometric and operating parameters optimization, and heterogeneous and homogeneous silane pyrolysis analysis. The second is the GaN thin film growth by iodine vapor phase epitaxy technique. Heat and mass transport is studied analytically and numerically. Gas phase and surface reactions are analyzed thermodynamically and kinetically. Quasi-equilibrium and kinetic deposition models are developed to predict the growth rate. The third one is the AlN thin film growth by halide vapor phase epitaxy technique. The effects of gas phase and surface reactions on the crystal growth rate and deposition uniformity are studied. The last one is the AlN sublimation growth system. The research effort has been focused on the effect of thermal environment evolution on the crystal growth process. The thermoelastic stress formed in the as-grown AlN crystal is also calculated.

Two-photon absorption in layered transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Dong, Ningning; Zhang, Saifeng; Li, Yuanxin; Wang, Jun

2018-02-01

Two-dimensional (2D) layered transition metal dichalcogenides (TMDCs) exhibit unique nonlinear optical (NLO) features and have becoming intriguing and promising candidate materials for photonic and optoelectronic devices with high performance and unique functions. Owing to layered geometry and the thickness-dependent bandgap, we studied the ultrafast NLO properties of a range of TMDCs. TMDCs with high-quality layered nanosheets were prepared through chemical vapor deposition (CVD) technique and vapor-phase growth method. Saturable absorption, two photon absorption (TPA) and two photon pumped frequency up-converted luminescence were observed from these 2D nanostructures. The exciting results open up the door to 2D photonic devices, such as passive mode-lockers, Q-switchers, optical limiters, light emitters, etc.

The partitioning of Cu, Au and Mo between liquid and vapor at magmatic temperatures and its implications for the genesis of magmatic-hydrothermal ore deposits

NASA Astrophysics Data System (ADS)

Zajacz, Zoltán; Candela, Philip A.; Piccoli, Philip M.

2017-06-01

The partition coefficients of Cu, Au and Mo between liquid and vapor were determined at P = 130 MPa and T = 900 °C, and P = 90 MPa and T = 650 °C and redox conditions favoring the dominance of reduced S species in the fluid. The experiments at 900 °C were conducted in rapid-quench Molybdenum-Hafnium Carbide externally-heated pressure vessel assemblies, whereas those at 650 °C were run in René41 pressure vessels. The fluids were sampled at run conditions using the synthetic fluid inclusion technique. The host quartz was fractured in situ during the experiments ensuring the entrapment of equilibrium fluids. A new method was developed to quantify the composition of the vapor inclusions from LA-ICPMS analyses relying on the use of boron as an internal standard, an element that fractionates between vapor and liquid to a very small degree. The bulk starting fluid compositions closely represented those expected to exsolve from felsic silicate melts in upper crustal magma reservoirs (0.64 m NaCl, 0.32 m KCl, ±0.2 m HCl and/or 4 wt% S). The experiments were conducted in Au97Cu3 alloy capsules allowing the simultaneous determination of apparent Au and Cu solubilities in the liquid and the vapor phase. Though the apparent metal solubilities were strongly affected by the addition of HCl and S in both phases, all three elements were found to preferentially partition to a liquid phase at all studied conditions with an increasing degree of preference for the liquid in the following order Au < Cu < Mo. The presence of HCl and S did not have a significant effect on the liquid/vapor partition coefficients of either Au or Cu, whereas the presence of HCl slightly shifted the partitioning of Mo in favor of the vapor. Ore metal partition coefficients normalized to that of Na (Ki-Naliq/ vap =Diliq/vap /DNaliq/vap) fall in the following ranges respectively for each studied metal: KAu-Naliq / vap = 0.20 ± 0.07-0.50 ± 0.19 (1σ); KCu-Naliq / vap = 0.36 ± 0.12-0.76 ± 0.22; KMo-Naliq/ vap = 0.67 ± 0.15-2.5 ± 0.8. Decreasing T from 900 °C to 650 °C slightly shifted KAu-Naliq / vap and KCu-Naliq / vap to the lower end of the reported ranges. A consequence of KAu-Naliq / vap and KCu-Naliq / vap being significantly smaller than 1 is that much of the Au and a significant fraction of Cu may be carried to shallower levels of magmatic-hydrothermal systems by residual vapors despite potentially extensive brine condensation.

Raman signature of the non-hydrogen-bonded tryptophan side chain in proteins: experimental and ab initio spectra of 3-methylindole in the gas phase

NASA Astrophysics Data System (ADS)

Combs, Amanda; McCann, Kathleen; Autrey, Daniel; Laane, Jaan; Overman, Stacy A.; Thomas, George J.

2005-02-01

3-Methylindole (3MI), which serves as a structural model for the tryptophan side chain in proteins, has been investigated using vapor phase Raman spectroscopy. The vapor phase spectrum of 3MI identifies the Raman signature of the indolyl moiety free of intermolecular interaction and extends previously reported solution Raman studies of 3MI and related tryptophan derivatives. The Raman spectrum of 3MI vapor is also complemented here with newly obtained vapor phase infrared data and ab initio calculations to refine and extend previous vibrational assignments. The present results provide an improved basis for assessing the dependence of the indolyl Raman signature on the local environment of the tryptophan side chain of proteins. The principal conclusions of this work are the following. (i) The vapor phase 3MI molecule exhibits Raman bands at 3506, 1585, 1409, 1349/1341 (Fermi doublet) and 881 cm-1, which differ greatly from their counterparts in the Raman spectrum of 3MI liquid and thus serve as spectral markers of the indolyl ring environment. (ii) The Fermi doublet relative intensity ratio (I1/I2, where I1 and I2 are, respectively, the Raman intensities of the higher and lower wavenumber components of the doublet) is highly sensitive to the state of 3MI condensation, consistent with the previously reported sensitivity of I1/I2 to solvent polarity. The maximum value of the intensity ratio (I1/I2=3.0) is observed for 3MI vapor, while the minimum value (I1/I2=0.43) is observed for 3MI in CHCl3 solution. Implications of the present results for Raman analysis of hydrogen bonding states, hydrophilic interactions and hydrophobic interactions of tryptophan residues in proteins are considered.

Comparison of vapor formation of water at the solid/water interface to colloidal solutions using optically excited gold nanostructures.

PubMed

Baral, Susil; Green, Andrew J; Livshits, Maksim Y; Govorov, Alexander O; Richardson, Hugh H

2014-02-25

The phase transformation properties of liquid water to vapor is characterized by optical excitation of the lithographically fabricated single gold nanowrenches and contrasted to the phase transformation properties of gold nanoparticles located and optically excited in a bulk solution system [two and three dimensions]. The 532 nm continuous wave excitation of a single gold nanowrench results in superheating of the water to the spinodal decomposition temperature of 580 ± 20 K with bubble formation below the spinodal decomposition temperature being a rare event. Between the spinodal decomposition temperature and the boiling point liquid water is trapped into a metastable state because a barrier to vapor nucleation exists that must be overcome before the thermodynamically stable state is realized. The phase transformation for an optically heated single gold nanowrench is different from the phase transformation of optically excited colloidal gold nanoparticles solution where collective heating effects dominates and leads to the boiling of the solution exactly at the boiling point. In the solution case, the optically excited ensemble of nanoparticles collectively raises the ambient temperature of water to the boiling point where liquid is converted into vapor. The striking difference in the boiling properties of the single gold nanowrench and the nanoparticle solution system can be explained in terms of the vapor-nucleation mechanism, the volume of the overheated liquid, and the collective heating effect. The interpretation of the observed regimes of heating and vaporization is consistent with our theoretical modeling. In particular, we explain with our theory why the boiling with the collective heating in a solution requires 3 orders of magnitude less intensity compared to the case of optically driven single nanowrench.

Influence of liquid water and water vapor on antimisting kerosene (AMK)

NASA Technical Reports Server (NTRS)

Yavrouian, A. H.; Sarolouki, M.; Sarohia, V.

1983-01-01

Experiments have been performed to evaluate the compatibility of liquid water and water vapor with antimisting kerosenes (AMK) containing polymer additive FM-9 developed by Imperial Chemical Industries. This effort consists of the determination of water solubility in AMK, influence of water on restoration (degradation) of AMK, and effect of water on standard AMK quality control methods. The principal conclusions of this investigation are: (1) the uptake of water in AMK critically depends upon the degree of agitation and can be as high as 1300 ppm at 20 C, (2) more than 250 to 300 ppm of water in AMK causes an insoluble second phase to form. The amount of this second phase depends on fuel temperature, agitation, degree of restoration (degradation) and the water content of the fuel, (3) laboratory scale experiments indicate precipitate formation when water vapor comes in contact with cold fuel surfaces at a much lower level of water (125 to 150 ppm), (4) precipitate formation is very pronounced in these experiments where humid air is percolated through a cold fuel (-20 C), (5) laboratory tests further indicate that water droplet settling time is markedly reduced in AMK as compared to jet A, (6) limited low temperature testing down to -30 C under laboratory conditions indicates the formation of stable, transparent gels.

Advanced methods for preparation and characterization of infrared detector materials. [crystallization and phase diagrams of Hg sub 1-x Cd sub x Te

NASA Technical Reports Server (NTRS)

Lehoczy, S. L.

1979-01-01

Crystal growth of Hg sub 1-x Cd sub x Te and density measurements of ingot slices are discussed. Radial compositional variations are evaluated from the results of infrared transmission edge mapping. The pseudo-binary HgTe-CdTe phase diagram is examined with reference to differential thermal analysis measurements. The phase equilibria calculations, based on the 'regular association solution' theory (R.A.S.) are explained and, using the obtained R.A.S. parameters, the activities of Hg, Cd, and Te vapors and their partial pressures over the pseudo-binary melt are calculated.

Dispersion toughened ceramic composites and method for making same

DOEpatents

Stinton, David P.; Lackey, Walter J.; Lauf, Robert J.

1986-01-01

Ceramic composites exhibiting increased fracture toughness are produced by the simultaneous codeposition of silicon carbide and titanium disilicide by chemical vapor deposition. A mixture of hydrogen, methyltrichlorosilane and titanium tetrachloride is introduced into a furnace containing a substrate such as graphite or silicon carbide. The thermal decomposition of the methyltrichlorosilane provides a silicon carbide matrix phase and the decomposition of the titanium tetrachloride provides a uniformly dispersed second phase of the intermetallic titanium disilicide within the matrix phase. The fracture toughness of the ceramic composite is in the range of about 6.5 to 7.0 MPa.sqroot.m which represents a significant increase over that of silicon carbide.

Dispersion toughened ceramic composites and method for making same

DOEpatents

Stinton, D.P.; Lackey, W.J.; Lauf, R.J.

1984-09-28

Ceramic composites exhibiting increased fracture toughness are produced by the simultaneous codeposition of silicon carbide and titanium disilicide by chemical vapor deposition. A mixture of hydrogen, methyltrichlorosilane and titanium tetrachloride is introduced into a furnace containing a substrate such as graphite or silicon carbide. The thermal decomposition of the methyltrichlorosilane provides a silicon carbide matrix phase and the decomposition of the titanium tetrachloride provides a uniformly dispersed second phase of the intermetallic titanium disilicide within the matrix phase. The fracture toughness of the ceramic composite is in the range of about 6.5 to 7.0 MPa..sqrt..m which represents a significant increase over that of silicon carbide.

Method and apparatus for monitoring two-phase flow. [PWR

DOEpatents

Sheppard, J.D.; Tong, L.S.

1975-12-19

A method and apparatus for monitoring two-phase flow is provided that is particularly related to the monitoring of transient two-phase (liquid-vapor) flow rates such as may occur during a pressurized water reactor core blow-down. The present invention essentially comprises the use of flanged wire screens or similar devices, such as perforated plates, to produce certain desirable effects in the flow regime for monitoring purposes. One desirable effect is a measurable and reproducible pressure drop across the screen. The pressure drop can be characterized for various known flow rates and then used to monitor nonhomogeneous flow regimes. Another useful effect of the use of screens or plates in nonhomogeneous flow is that such apparatus tends to create a uniformly dispersed flow regime in the immediate downstream vicinity. This is a desirable effect because it usually increases the accuracy of flow rate measurements determined by conventional methods.

Automated product recovery in a HG-196 photochemical isotope separation process

DOEpatents

Grossman, Mark W.; Speer, Richard

1992-01-01

A method of removing deposited product from a photochemical reactor used in the enrichment of .sup.196 Hg has been developed and shown to be effective for rapid re-cycling of the reactor system. Unlike previous methods relatively low temperatures are used in a gas and vapor phase process of removal. Importantly, the recovery process is understood in a quantitative manner so that scaling design to larger capacity systems can be easily carried out.

Automated product recovery in a Hg-196 photochemical isotope separation process

DOEpatents

Grossman, M.W.; Speer, R.

1992-07-21

A method of removing deposited product from a photochemical reactor used in the enrichment of [sup 196]Hg has been developed and shown to be effective for rapid re-cycling of the reactor system. Unlike previous methods relatively low temperatures are used in a gas and vapor phase process of removal. Importantly, the recovery process is understood in a quantitative manner so that scaling design to larger capacity systems can be easily carried out. 2 figs.

Model for the Vaporization of Mixed Organometallic Compounds in the Metalorganic Chemical Vapor Deposition of High Temperature Superconducting Films

NASA Technical Reports Server (NTRS)

Meng, Guangyao; Zhou, Gang; Schneider, Roger L.; Sarma, Bimal K.; Levy, Moises

1993-01-01

A model of the vaporization and mass transport of mixed organometallics from a single source for thin film metalorganic chemical vapor deposition is presented. A stoichiometric gas phase can be obtained from a mixture of the organometallics in the desired mole ratios, in spite of differences in the volatilities of the individual compounds. Proper film composition and growth rates are obtained by controlling the velocity of a carriage containing the organometallics through the heating zone of a vaporizer.

Numerical Modeling of Three-Dimensional Fluid Flow with Phase Change

NASA Technical Reports Server (NTRS)

Esmaeeli, Asghar; Arpaci, Vedat

1999-01-01

We present a numerical method to compute phase change dynamics of three-dimensional deformable bubbles. The full Navier-Stokes and energy equations are solved for both phases by a front tracking/finite difference technique. The fluid boundary is explicitly tracked by discrete points that are connected by triangular elements to form a front that is used to keep the stratification of material properties sharp and to calculate the interfacial source terms. Two simulations are presented to show robustness of the method in handling complex phase boundaries. In the first case, growth of a vapor bubble in zero gravity is studied where large volume increase of the bubble is managed by adaptively increasing the front resolution. In the second case, growth of a bubble under high gravity is studied where indentation at the rear of the bubble results in a region of large curvature which challenges the front tracking in three dimensions.

On the Method of Efficient Ice Cold Energy Storage Using a Heat Transfer of Direct Contact Phase Change and a Natural Circulation of a Working Medium in an Enclosure

NASA Astrophysics Data System (ADS)

Utaka, Yoshio; Saito, Akio; Nakata, Naoki

The objectives of this report are to propose a new method of the high performance cold energy storage using ice as a phase change material and to clarify the heat transfer characteristics of the apparatus of ice cold energy storage based on the proposed principle. A working medium vapor layer a water layer and a working medium liquid layer stratified in this order from the top were kept in an enclosure composed of a condenser, an evaporator and a condensate receiver-and-return tube. The direct contact heat transfers between water or ice and a working medium in an enclosure were applied for realizing the high performance cold energy storage and release. In the storage and release processes, water changes the phase between the liquid and the solid, and the working medium cnanges between the vapor and the liquid with a natural circulation. Experimental apparatus was manufactured and R12 and R114 were selected as working media in the thermal energy storage enclosure. It was confirmed by the measurements that the efficient formation and melting of ice were achieved. Then, th e heat transfer characteristics were clarified for the effects of the initial water height, the initial height of woking medium liquid layer and the inlet coolant temperature.

Experiments for Modern Introductory Chemistry.

ERIC Educational Resources Information Center

Kildahl, Nicholas; Berka, Ladislav H.

1995-01-01

Presents a headspace gas chromatography experiment that enables discovery of the temperature dependence of the vapor pressure of a pure liquid. Illustrates liquid-vapor phase equilibrium of pure liquids. Contains 22 references. (JRH)

Reducing dislocations in semiconductors utilizing repeated thermal cycling during multistage epitaxial growth

DOEpatents

Fan, John C. C.; Tsaur, Bor-Yeu; Gale, Ronald P.; Davis, Frances M.

1992-02-25

Dislocation densities are reduced in growing semiconductors from the vapor phase by employing a technique of interrupting growth, cooling the layer so far deposited, and then repeating the process until a high quality active top layer is achieved. The method of interrupted growth, coupled with thermal cycling, permits dislocations to be trapped in the initial stages of epitaxial growth.

Reducing dislocations in semiconductors utilizing repeated thermal cycling during multistage epitaxial growth

DOEpatents

Fan, John C. C.; Tsaur, Bor-Yeu; Gale, Ronald P.; Davis, Frances M.

1986-12-30

Dislocation densities are reduced in growing semiconductors from the vapor phase by employing a technique of interrupting growth, cooling the layer so far deposited, and then repeating the process until a high quality active top layer is achieved. The method of interrupted growth, coupled with thermal cycling, permits dislocations to be trapped in the initial stages of epitaxial growth.

Small-Item Vapor Test Method, FY11 Release

DTIC Science & Technology

2012-07-01

to this test procedure is provided alphabetically in the following list: absorption: The uptake of a contaminant INTO the volume of a material. The... powders , wipes), or gas-phase (fumigants, including aerosols). decontamination process: The process of making any person, object, or area safe by...with another contaminant. Generally, bare metals and glass are nonsorptive materials for some agents. operational decontamination: Decontamination

Fabrication of selective-area growth InGaN LED by mixed-source hydride vapor-phase epitaxy

NASA Astrophysics Data System (ADS)

Bae, Sung Geun; Jeon, Injun; Jeon, Hunsoo; Kim, Kyoung Hwa; Yang, Min; Yi, Sam Nyung; Lee, Jae Hak; Ahn, Hyung Soo; Yu, Young Moon; Sawaki, Nobuhiko; Kim, Suck-Whan

2018-01-01

We prepared InGaN light-emitting diodes (LEDs) with the active layers grown from a mixed source of Ga-In-N materials on an n-type GaN substrate by a selective-area growth method and three fabrication steps: photolithography, epitaxial layer growth, and metallization. The preparation followed a previously developed experimental process using apparatus for mixed-source hydride vapor-phase epitaxy (HVPE), which consisted of a multi-graphite boat, for insulating against the high temperature and to control the growth rate of epilayers, filled with the mixed source on the inside and a radio-frequency (RF) heating coil for heating to a high temperature (T > 900 °C) and for easy control of temperature outside the source zone. Two types of LEDs were prepared, with In compositions of 11.0 and 6.0% in the InGaN active layer, and room-temperature electroluminescence measurements exhibited a main peak corresponding to the In composition at either 420 or 390 nm. The consecutive growth of InGaN LEDs by the mixed-source HVPE method provides a technique for the production of LEDs with a wide range of In compositions in the active layer.

Tunnel Junction Development Using Hydride Vapor Phase Epitaxy

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

Ptak, Aaron J.; Simon, John D.; Schulte, Kevin L.

We demonstrate for the first time III-V tunnel junctions grown using hydride vapor phase epitaxy (HVPE) with peak tunneling currents >8 A/cm 2, sufficient for operation of a multijunction device to several hundred suns of concentration. Multijunction solar cells rely on tunneling interconnects between subcells to enable series connection with minimal voltage loss, but tunnel junctions have never been shown using the HVPE growth method. HVPE has recently reemerged as a low-cost growth method for high-quality III-V materials and devices, including the growth of high-efficiency III-V solar cells. We previously showed single-junction GaAs solar cells with conversion efficiencies of ~24%more » with a path forward to equal or exceed the practical efficiency limits of crystalline Si. Moving to a multijunction device structure will allow for even higher efficiencies with minimal impact on cost, necessitating the development of tunnel interconnects. Here in this paper, we demonstrate the performance of both isolated HVPE-grown tunnel junctions, as well as single-junction GaAs solar cell structures with a tunnel junction incorporated into the contact region. We observe no degradation in device performance compared to a structure without the added junction.« less

Ground-based remote sensing of thin clouds in the Arctic

NASA Astrophysics Data System (ADS)

Garrett, T. J.; Zhao, C.

2012-11-01

This paper describes a method for using interferometer measurements of downwelling thermal radiation to retrieve the properties of single-layer clouds. Cloud phase is determined from ratios of thermal emission in three "micro-windows" where absorption by water vapor is particularly small. Cloud microphysical and optical properties are retrieved from thermal emission in two micro-windows, constrained by the transmission through clouds of stratospheric ozone emission. Assuming a cloud does not approximate a blackbody, the estimated 95% confidence retrieval errors in effective radius, visible optical depth, number concentration, and water path are, respectively, 10%, 20%, 38% (55% for ice crystals), and 16%. Applied to data from the Atmospheric Radiation Measurement program (ARM) North Slope of Alaska - Adjacent Arctic Ocean (NSA-AAO) site near Barrow, Alaska, retrievals show general agreement with ground-based microwave radiometer measurements of liquid water path. Compared to other retrieval methods, advantages of this technique include its ability to characterize thin clouds year round, that water vapor is not a primary source of retrieval error, and that the retrievals of microphysical properties are only weakly sensitive to retrieved cloud phase. The primary limitation is the inapplicability to thicker clouds that radiate as blackbodies.

Kinetics-based phase change approach for VOF method applied to boiling flow

NASA Astrophysics Data System (ADS)

Cifani, Paolo; Geurts, Bernard; Kuerten, Hans

2014-11-01

Direct numerical simulations of boiling flows are performed to better understand the interaction of boiling phenomena with turbulence. The multiphase flow is simulated by solving a single set of equations for the whole flow field according to the one-fluid formulation, using a VOF interface capturing method. Interface terms, related to surface tension, interphase mass transfer and latent heat, are added at the phase boundary. The mass transfer rate across the interface is derived from kinetic theory and subsequently coupled with the continuum representation of the flow field. The numerical model was implemented in OpenFOAM and validated against 3 cases: evaporation of a spherical uniformly heated droplet, growth of a spherical bubble in a superheated liquid and two dimensional film boiling. The computational model will be used to investigate the change in turbulence intensity in a fully developed channel flow due to interaction with boiling heat and mass transfer. In particular, we will focus on the influence of the vapor bubble volume fraction on enhancing heat and mass transfer. Furthermore, we will investigate kinetic energy spectra in order to identify the dynamics associated with the wakes of vapor bubbles. Department of Applied Mathematics, 7500 AE Enschede, NL.

Tunnel Junction Development Using Hydride Vapor Phase Epitaxy

DOE PAGES

Ptak, Aaron J.; Simon, John D.; Schulte, Kevin L.; ...

2017-10-18

We demonstrate for the first time III-V tunnel junctions grown using hydride vapor phase epitaxy (HVPE) with peak tunneling currents >8 A/cm 2, sufficient for operation of a multijunction device to several hundred suns of concentration. Multijunction solar cells rely on tunneling interconnects between subcells to enable series connection with minimal voltage loss, but tunnel junctions have never been shown using the HVPE growth method. HVPE has recently reemerged as a low-cost growth method for high-quality III-V materials and devices, including the growth of high-efficiency III-V solar cells. We previously showed single-junction GaAs solar cells with conversion efficiencies of ~24%more » with a path forward to equal or exceed the practical efficiency limits of crystalline Si. Moving to a multijunction device structure will allow for even higher efficiencies with minimal impact on cost, necessitating the development of tunnel interconnects. Here in this paper, we demonstrate the performance of both isolated HVPE-grown tunnel junctions, as well as single-junction GaAs solar cell structures with a tunnel junction incorporated into the contact region. We observe no degradation in device performance compared to a structure without the added junction.« less

The temporal power spectrum of atmospheric fluctuations due to water vapor

NASA Astrophysics Data System (ADS)

Lay, O. P.

1997-05-01

Irregular variations in the refractivity of the atmosphere cause fluctuations in the phase measured by interferometers, limiting the spatial resolution that can be obtained. For frequencies up to the far infrared, water vapor is the dominant cause of the variations. The temporal power spectrum of the phase fluctuations is needed to assess correction schemes such as phase referencing using a nearby calibrator and water vapor radiometry. A model is developed for the temporal power spectrum of phase fluctuations measured by an interferometer through a layer of Kolmogorov turbulence of arbitrary thickness. It is found that both the orientation of the baseline with respect to the wind direction and the elevation of the observations can have a large effect on the temporal power spectrum. Plots of the spectral density distribution, where the area under the curve is proportional to phase power, show that substantial contributions from length scales as long as 100 times the interferometer baseline are possible. The model is generally consistent with data from the 12-GHz phase monitor at the Owens Valley Radio Observatory, and allows the data to be extrapolated to an arbitrary baseline, observing frequency and elevation. There is some evidence that there can be more than one component of turbulence present at a given time for the Owens Valley. The validity of the frozen turbulence assumption and the geometrical optics approximation is discussed and found to be reasonable under most conditions. The models and data presented here form the basis of an analysis of phase calibration and water vapor radiometry \\cite[(Lay 1997)]{lay96}.

Effects of crosslinking on the mechanical properties, drug release and cytocompatibility of protein polymers.

PubMed

Martinez, Adam W; Caves, Jeffrey M; Ravi, Swathi; Li, Wehnsheng; Chaikof, Elliot L

2014-01-01

Recombinant elastin-like protein polymers are increasingly being investigated as component materials of a variety of implantable medical devices. This is chiefly a result of their favorable biological properties and the ability to tailor their physical and mechanical properties. In this report, we explore the potential of modulating the water content, mechanical properties, and drug release profiles of protein films through the selection of different crosslinking schemes and processing strategies. We find that the selection of crosslinking scheme and processing strategy has a significant influence on all aspects of protein polymer films. Significantly, utilization of a confined, fixed volume, as well as vapor-phase crosslinking strategies, decreased protein polymer equilibrium water content. Specifically, as compared to uncrosslinked protein gels, water content was reduced for genipin (15.5%), glutaraldehyde (GTA, 24.5%), GTA vapor crosslinking (31.6%), disulfide (SS, 18.2%) and SS vapor crosslinking (25.5%) (P<0.05). Distinct crosslinking strategies modulated protein polymer stiffness, strain at failure and ultimate tensile strength (UTS). In all cases, vapor-phase crosslinking produced the stiffest films with the highest UTS. Moreover, both confined, fixed volume and vapor-phase approaches influenced drug delivery rates, resulting in decreased initial drug burst and release rates as compared to solution phase crosslinking. Tailored crosslinking strategies provide an important option for modulating the physical, mechanical and drug delivery properties of protein polymers. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Steady boiling of vapor bubbles in rectangular channels

NASA Astrophysics Data System (ADS)

Ajaev, Vladimir S.; Homsy, George M.

2000-11-01

We consider vapor bubbles in microchannels in which the vapor is produced by a heater element and condenses in cooler parts of the interface. The free boundary problem is formulated for a long steady-state bubble in a rectangular channel with a heated bottom. The shape of the liquid-vapor interface is described using lubrication-type equations in the regime in which the vapor phase fills most of the cross-section. Contact lines may be present, marking the transitions between molecularly thin films and macroscopic ones. The main parameters are the differences between heater, saturation, and top wall temperatures. The equations are solved numerically over a range of parameter values with an integral condition requiring the evaporation near the heater to balance condensation in colder areas of the interface. Depending on the temperature, the side walls can be either dry or covered with a liquid film; we identify criteria for these two different regimes. The asymptotic method breaks down in the limit when capillary condensation becomes important near the bubble top and a different approach is used to determine the shape of the bubble in this limit. Solutions here involve localized regions of large mass fluxes, which are asymptotically matched to capillary-statics regions where the heat transfer is negligible.

Mitigation Atmospheric Effects in Interferogram with Using Integrated Meris/modis Data and a Case Study Over Southern California

NASA Astrophysics Data System (ADS)

Wang, X.; Zhang, P.; Sun, Z.

2018-04-01

Interferometric synthetic aperture radar(InSAR), as a space geodetictechnology, had been testified a high potential means of earth observation providing a method fordigital elevation model (DEM) and surface deformation monitoring of high precision. However, the accuracy of the interferometric synthetic aperture radar is mainly limited by the effects of atmospheric water vapor. In order to effectively measure topography or surface deformations by synthetic aperture radar interferometry (InSAR), it is necessary to mitigate the effects of atmospheric water vapor on the interferometric signals. This paper analyzed the atmospheric effects on the interferogram quantitatively, and described a result of estimating Precipitable Water Vapor (PWV) from the the Medium Resolution Imaging Spectrometer (MERIS), Moderate Resolution Imaging Spectroradiometer (MODIS) and the ground-based GPS, compared the MERIS/MODIS PWV with the GPS PWV. Finally, a case study for mitigating atmospheric effects in interferogramusing with using the integration of MERIS and MODIS PWV overSouthern California is given. The result showed that such integration approach benefits removing or reducing the atmospheric phase contribution from the corresponding interferogram, the integrated Zenith Path Delay Difference Maps (ZPDDM) of MERIS and MODIS helps reduce the water vapor effects efficiently, the standard deviation (STD) of interferogram is improved by 23 % after the water vapor correction than the original interferogram.

Microstructural Effects and Properties of Non-line-of-Sight Coating Processing via Plasma Spray-Physical Vapor Deposition

NASA Astrophysics Data System (ADS)

Harder, Bryan J.; Zhu, Dongming; Schmitt, Michael P.; Wolfe, Douglas E.

2017-08-01

Plasma spray-physical vapor deposition (PS-PVD) is a unique processing method that bridges the gap between conventional thermal spray and vapor phase methods, and enables highly tailorable coatings composed of a variety of materials in thin, dense layers or columnar microstructures with modification of the processing conditions. The strengths of this processing technique are material and microstructural flexibility, deposition speed, and potential for non-line-of-sight (NLOS) capability by vaporization of the feedstock material. The NLOS capability of PS-PVD is investigated here using yttria-stabilized zirconia and gadolinium zirconate, which are materials of interest for turbine engine applications. PS-PVD coatings were applied to static cylindrical substrates approximately 6-19 mm in diameter to study the coating morphology as a function of angle. In addition, coatings were deposited on flat substrates under various impingement configurations. Impingement angle had significant effects on the deposition mode, and microscopy of coatings indicated that there was a shift in the deposition mode at approximately 90° from incidence on the cylindrical samples, which may indicate the onset of more turbulent flow and PVD-like growth. Coatings deposited at non-perpendicular angles exhibited a higher density and nearly a 2× improvement in erosion performance when compared to coatings deposited with the torch normal to the surface.

Aerosol Particle Interfacial Thermodynamics and Phase Partitioning Measurements Using Biphasic Microfluidics

NASA Astrophysics Data System (ADS)

Dutcher, Cari; Metcalf, Andrew

2015-03-01

Secondary organic aerosol particles are nearly ubiquitous in the atmosphere and yet there remain large uncertainties in their formation processes and ambient properties. These particles are complex microenvironments, which can contain multiple interfaces due to internal aqueous-organic phase partitioning and to the external liquid-vapor surface. Interfacial properties affect the ambient aerosol morphology, or internal structure of the particle, which in turn can affect the way a particle interacts with an environment of condensable clusters and organic vapors. To improve our ability to accurately predict ambient aerosol morphology, we must improve our knowledge of aerosol interfaces and their interactions with the ambient environment. Unfortunately, many techniques employed to measure interfacial properties do so in bulk solutions or in the presence of a ternary (e.g. solid) phase. In this talk, a novel method using biphasic microscale flows will be introduced for generating, trapping, and perturbing complex interfaces at atmospherically relevant conditions. These microfluidic experiments utilize high-speed imaging to monitor interfacial phenomena at the microscale and are performed with phase contrast and fluorescence microscopy on a temperature-controlled inverted microscope stage. From these experiments, interfacial thermodynamic properties such as surface or interfacial tension, rheological properties such as interfacial moduli, and kinetic properties such as mass transfer coefficients can be measured or inferred.

Contact Angle Influence on Geysering Jets in Microgravity Investigated

NASA Technical Reports Server (NTRS)

Chato, David J.

2004-01-01

Microgravity poses many challenges to the designer of spacecraft tanks. Chief among these are the lack of phase separation and the need to supply vapor-free liquid or liquid-free vapor to the spacecraft processes that require fluid. One of the principal problems of phase separation is the creation of liquid jets. A jet can be created by liquid filling, settling of the fluid to one end of the tank, or even closing a valve to stop the liquid flow. Anyone who has seen a fountain knows that jets occur in normal gravity also. However, in normal gravity, the gravity controls and restricts the jet flow. In microgravity, with gravity largely absent, surface tension forces must be used to contain jets. To model this phenomenon, a numerical method that tracks the fluid motion and the surface tension forces is required. Jacqmin has developed a phase model that converts the discrete surface tension force into a barrier function that peaks at the free surface and decays rapidly away. Previous attempts at this formulation were criticized for smearing the interface. This can be overcome by sharpening the phase function, double gridding the fluid function, and using a higher-order solution for the fluid function. The solution of this equation can be rewritten as two coupled Poisson equations that also include the velocity.

Vacuum distillation: vapor filtered-catalytic oxidation water reclamation system utilizing radioisotopes

NASA Technical Reports Server (NTRS)

Honegger, R. J.; Remus, G. A.; Kurg, E. K.

1971-01-01

The development of a functional model water reclamation system is discussed. The system produces potable water by distillation from the urine and respiration-perspiration condensate at the normal rate generated by four men. Basic processes employed are vacuum distillation, vapor filtration, vapor phase catalytic oxidation, and condensation. The system is designed to use four 75-watt isotope heaters for distillation thermal input, and one 45-watt isotope for the catalytic oxidation unit. The system is capable of collecting and storing urine, and provides for stabilizing the urine by chemical pretreatment. The functional model system is designed for operation in a weightless condition with liquid-vapor phase separators for the evaporator still, and centrifugal separators for urine collection and vapor condensation. The system provides for storing and dispensing reclaimed potable water. The system operates in a batch mode for 40 days, with urine residues accumulating in the evaporator. The evaporator still and residue are removed to storage and replaced with a fresh still for the next 40-day period.

Sequential Vapor Infiltration Treatment Enhances the Ionic Current Rectification Performance of Composite Membranes Based on Mesoporous Silica Confined in Anodic Alumina.

PubMed

Liang, Yanyan; Liu, Zhengping

2016-12-20

Ionic current rectification of nanofluidic diode membranes has been studied widely in recent years because it is analogous to the functionality of biological ion channels in principle. We report a new method to fabricate ionic current rectification membranes based on mesoporous silica confined in anodic aluminum oxide (AAO) membranes. Two types of mesostructured silica nanocomposites, hexagonal structure and nanoparticle stacked structure, were used to asymmetrically fill nanochannels of AAO membranes by a vapor-phase synthesis (VPS) method with aspiration approach and were further modified via sequence vapor infiltration (SVI) treatment. The ionic current measurements indicated that SVI treatment can modulate the asymmetric ionic transport in prepared membranes, which exhibited clear ionic current rectification phenomenon under optimal conditions. The ionic current rectifying behavior is derived from the asymmetry of surface conformations, silica species components, and hydrophobic wettability, which are created by the asymmetrical filling type, silica depositions on the heterogeneous membranes, and the condensation of silanol groups. This article provides a considerable strategy to fabricate composite membranes with obvious ionic current rectification performance via the cooperation of the VPS method and SVI treatment and opens up the potential of mesoporous silica confined in AAO membranes to mimic fluid transport in biological processes.

Influence of free carbon on the characteristics of ZrC and deposition of near-stoichiometric ZrC in TRISO coated particle fuel

NASA Astrophysics Data System (ADS)

Kim, Daejong; Ko, Myeong Jin; Park, Ji Yeon; Cho, Moon Sung; Kim, Weon-Ju

2014-08-01

Advanced TRISO coated particles with a ZrC coating layer as a main pressure boundary were fabricated by a fluidized-bed chemical vapor deposition (FBCVD) method using a chloride process. Experiments were performed to determine the effect of codeposition of graphitic carbon on the hardness and obtain the stoichiometric ZrC phase. The ZrC coating layer was composed of a mixture of ZrC and graphitic carbon phases at a low ZrCl4/CH4 ratio. A near-stoichiometric ZrC without the free carbon can be obtained by employing an impeller-driven ZrCl4 vaporizer. The codeposition of the graphitic carbon significantly lowered the hardness of ZrC while increasing the fraction of the carbon. The hardness reached its maximum when ZrC was in a slight carbon deficit without free carbon. As the graphitic carbon increased up to 12 vol%, the hardness was reduced by approximately 50% compared to the near-stoichiometric ZrC.

Characterization of Antisticking Layers for UV Nanoimprint Lithography Molds with Scanning Probe Microscopy

NASA Astrophysics Data System (ADS)

Masaaki Kurihara,; Sho Hatakeyama,; Noriko Yamada,; Takeya Shimomura,; Takaharu Nagai,; Kouji Yoshida,; Tatsuya Tomita,; Morihisa Hoga,; Naoya Hayashi,; Hiroyuki Ohtani,; Masamichi Fujihira,

2010-06-01

Antisticking layers (ASLs) on UV nanoimprint lithography (UV-NIL) molds were characterized by scanning probe microscopies (SPMs) in addition to macroscopic analyses of work of adhesion and separation force. Local physical properties of the ASLs were measured by atomic force microscopy (AFM) and friction force microscopy (FFM). The behavior of local adhesive forces measured with AFM on several surfaces was consistent with that of work of adhesion obtained from contact angle. The ASLs were coated by two different processes, i.e., one is a vapor-phase process and the other a spin-coating process. The homogeneity of the ASLs prepared by the vapor-phase process was better than that of those prepared by the spin-coating process. In addition, we measured the thicknesses of ASL patterns prepared by a lift-off method to investigate the effect of the ASL thicknesses on critical dimensions of the molds with ASLs and found that this effect is not negligible.

Solid Phase Extraction of Inorganic Mercury Using 5-Phenylazo-8-hydroxyquinoline and Determination by Cold Vapor Atomic Fluorescence Spectroscopy in Natural Water Samples

PubMed Central

Daye, Mirna; Halwani, Jalal; Hamzeh, Mariam

2013-01-01

8-Hydroxyquinoline (8-HQ) was chosen as a powerful ligand for Hg solid phase extraction. Among several chelating resins based on 8-HQ, 5-phenylazo-8-hydroxyquinoline (5Ph8HQ) is used for mercury extraction in which the adsorption dynamics were fully studied. It has been shown that Hg(II) is totally absorbed by 5Ph8HQ within the first 30 minutes of contact time with t 1/2 5 minutes, following Langmuir adsorption model. At pH 4, the affinity of mercury is unchallenged by other metals except, for Cu(II), which have shown higher Kd value. With these latter characteristics, 5Ph8HQ was examined for the preconcentration of trace levels of Hg(II). The developed method showed quantitative recoveries of Hg(II) with LOD = 0.21 pg mL−1 and RSD = 3–6% using cold vapor atomic fluorescence spectroscopy (CV-AFS) with a preconcentration factor greater than 250. PMID:24459417

Three-dimensional time-dependent computer modeling of the electrothermal atomizers for analytical spectrometry

NASA Astrophysics Data System (ADS)

Tsivilskiy, I. V.; Nagulin, K. Yu.; Gilmutdinov, A. Kh.

2016-02-01

A full three-dimensional nonstationary numerical model of graphite electrothermal atomizers of various types is developed. The model is based on solution of a heat equation within solid walls of the atomizer with a radiative heat transfer and numerical solution of a full set of Navier-Stokes equations with an energy equation for a gas. Governing equations for the behavior of a discrete phase, i.e., atomic particles suspended in a gas (including gas-phase processes of evaporation and condensation), are derived from the formal equations molecular kinetics by numerical solution of the Hertz-Langmuir equation. The following atomizers test the model: a Varian standard heated electrothermal vaporizer (ETV), a Perkin Elmer standard THGA transversely heated graphite tube with integrated platform (THGA), and the original double-stage tube-helix atomizer (DSTHA). The experimental verification of computer calculations is carried out by a method of shadow spectral visualization of the spatial distributions of atomic and molecular vapors in an analytical space of an atomizer.

Single crystal growth in spin-coated films of polymorphic phthalocyanine derivative under solvent vapor

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

Higashi, T.; Ohmori, M.; Ramananarivo, M. F.

2015-12-01

The effects of solvent vapor on spin-coated films of a polymorphic phthalocyanine derivative were investigated. Growth of single crystal films via redissolving organic films under solvent vapor was revealed by in situ microscopic observations of the films. X-ray diffraction measurement of the films after exposing to solvent vapor revealed the phase transition of polymorphs under solvent vapor. The direction of crystal growth was clarified by measuring the crystal orientation in a grown monodomain film. The mechanism of crystal growth based on redissolving organic films under solvent vapor was discussed in terms of the different solubilities of the polymorphs.

Martian North Polar Water-Ice Clouds During the Viking Era

NASA Technical Reports Server (NTRS)

Tamppari, L. K.; Bass, D. S.

2000-01-01

The Viking Orbiters determined that the surface of Mars' northern residual cap consists of water ice. Observed atmospheric water vapor abundances in the equatorial regions have been related to seasonal exchange between reservoirs such as the polar caps, the regolith and between different phases in the atmosphere. Kahn modeled the physical characteristics of ice hazes seen in Viking Orbiter imaging limb data, hypothesizing that ice hazes provide a method for scavenging water vapor from the atmosphere and accumulating it into ice particles. Given that Jakosky found that these particles had sizes such that fallout times were of order one Martian sol, these water-ice hazes provided a method for returning more water to the regolith than that provided by adsorption alone. These hazes could also explain the rapid hemispheric decrease in atmospheric water in late northern summer as well as the increase during the following early spring. A similar comparison of water vapor abundance versus polar cap brightness has been done for the north polar region. They have shown that water vapor decreases steadily between L(sub s) = 100-150 deg while polar cap albedo increases during the same time frame. As a result, they suggested that late summer water-ice deposition onto the ice cap may be the cause of the cap brightening. This deposition could be due to adsorption directly onto the cap surface or to snowfall. Thus, an examination of north polar waterice clouds could lend insight into the fate of the water vapor during this time period. Additional information is contained in the original extended abstract.

Vaporization of a mixed precursors in chemical vapor deposition for YBCO films

NASA Technical Reports Server (NTRS)

Zhou, Gang; Meng, Guangyao; Schneider, Roger L.; Sarma, Bimal K.; Levy, Moises

1995-01-01

Single phase YBa2Cu3O7-delta thin films with T(c) values around 90 K are readily obtained by using a single source chemical vapor deposition technique with a normal precursor mass transport. The quality of the films is controlled by adjusting the carrier gas flow rate and the precursor feed rate.

Fractionation of Cl/Br during fluid phase separation in magmatic-hydrothermal fluids

NASA Astrophysics Data System (ADS)

Seo, Jung Hun; Zajacz, Zoltán

2016-06-01

Brine and vapor inclusions were synthesized to study Cl/Br fractionation during magmatic-hydrothermal fluid phase separation at 900 °C and pressures of 90, 120, and 150 MPa in Li/Na/K halide salt-H2O systems. Laser ablation ICP-MS microanalysis of high-density brine inclusions show an elevated Cl/Br ratio compared to the coexisting low-density vapor inclusions. The degree of Cl/Br fractionation between vapor and brine is significantly dependent on the identity of the alkali metal in the system: stronger vapor partitioning of Br occurs in the Li halide-H2O system compared to the systems of K and Na halide-H2O. The effect of the identity of alkali-metals in the system is stronger compared to the effect of vapor-brine density contrast. We infer that competition between alkali-halide and alkali-OH complexes in high-temperature fluids might cause the Cl/Br fractionation, consistent with the observed molar imbalances of alkali metals compared to halides in the analyzed brine inclusions. Our experiments show that the identity of alkali metals controls the degrees of Cl/Br fractionation between the separating aqueous fluid phases at 900 °C, and suggest that a significant variability in the Cl/Br ratios of magmatic fluids can arise in Li-rich systems.

The state of the art of conventional flow visualization techniques for wind tunnel testing

NASA Technical Reports Server (NTRS)

Settles, G. S.

1982-01-01

Conventional wind tunnel flow visualization techniques which consist of surface flow methods, tracers, and optical methods are presented. Different surface flow methods are outlined: (1) liquid films (oil and fluorescent dye and UV lighting, renewable film via porous dispenser in model, volatile carrier fluid, cryogenic colored oil dots, oil film interferometry); (2) reactive surface treatment (reactive gas injection, reversible dye); (3) transition and heat transfer detectors (evaporation, sublimation, liquid crystals, phase change paints, IR thermography); and (4) tufts (fluorescent mini tufts, cryogenic suitability). Other methods are smoke wire techniques, vapor screens, and optical methods.

Effect of Interfacial Turbulence and Accommodation Coefficient on CFD Predictions of Pressurization and Pressure Control in Cryogenic Storage Tank

NASA Technical Reports Server (NTRS)

Kassemi, Mohammad; Kartuzova, Olga; Hylton, Sonya

2015-01-01

Laminar models agree closely with the pressure evolution and vapor phase temperature stratification but under-predict liquid temperatures. Turbulent SST k-w and k-e models under-predict the pressurization rate and extent of stratification in the vapor but represent liquid temperature distributions fairly well. These conclusions seem to equally apply to large cryogenic tank simulations as well as small scale simulant fluid pressurization cases. Appropriate turbulent models that represent both interfacial and bulk vapor phase turbulence with greater fidelity are needed. Application of LES models to the tank pressurization problem can serve as a starting point.

Simulating condensation on microstructured surfaces using Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Alexeev, Alexander; Vasyliv, Yaroslav

2017-11-01

We simulate a single component fluid condensing on 2D structured surfaces with different wettability. To simulate the two phase fluid, we use the athermal Lattice Boltzmann Method (LBM) driven by a pseudopotential force. The pseudopotential force results in a non-ideal equation of state (EOS) which permits liquid-vapor phase change. To account for thermal effects, the athermal LBM is coupled to a finite volume discretization of the temperature evolution equation obtained using a thermal energy rate balance for the specific internal energy. We use the developed model to probe the effect of surface structure and surface wettability on the condensation rate in order to identify microstructure topographies promoting condensation. Financial support is acknowledged from Kimberly-Clark.

Preparation of pigments for space-stable thermal control coatings

NASA Technical Reports Server (NTRS)

Campbell, W. B.; Nychas, S. G.; Smith, R. G.

1971-01-01

Calculations of mixing conditions in the vapor reaction system established criteria for reactor design. Gas mixing was optimized by jet action and vapor phase production of zinc orthotitanate has been accomplished.

Correlations between water-soluble organic aerosol and water vapor: a synergistic effect from biogenic emissions?

PubMed

Hennigan, Christopher J; Bergin, Michael H; Weber, Rodney J

2008-12-15

Ground-based measurements of meteorological parameters and water-soluble organic carbon in the gas(WSOCg) and particle (WSOCp) phases were carried out in Atlanta, Georgia, from May to September 2007. Fourteen separate events were observed throughout the summer in which WSOCp and water vapor concentrations were highly correlated (average WSOCp-water vapor r = 0.92); however, for the entire summer, no well-defined relationship existed between the two. The correlation events, which lasted on average 19 h, were characterized by a wide range of WSOCp and water vapor concentrations. Several hypotheses for the correlation are explored, including heterogeneous liquid phase SOA formation and the co-emission of biogenic VOCs and water vapor. The data provide supporting evidence for contributions from both and suggest the possibility of a synergistic effect between the co-emission of water vapor and VOCs from biogenic sources on SOA formation. Median WSOCp concentrations were also correlated with elemental carbon (EC), although this correlation extended over the entire summer. Despite the emission of water vapor from anthropogenic mobile sources and the WSOCp-EC correlation, mobile sources were not considered a potential cause for the WSOCp-water vapor correlations because of their low contribution to the water vapor budget. Meteorology could perhaps have influenced the WSOCp-EC correlation, but other factors are implicated as well. Overall, the results suggest that the temperature-dependent co-emission of water vapor through evapotranspiration and SOA precursor-VOCs by vegetation may be an important process contributing to SOA in some environments.

Radiometric correction of atmospheric path length fluctuations in interferometric experiments. [in radio astronomy

NASA Technical Reports Server (NTRS)

Resch, G. M.; Hogg, D. E.; Napier, P. J.

1984-01-01

To support very long baseline interferometric experiments, a system has been developed for estimating atmospheric water vapor path delay. The system consists of dual microwave radiometers, one operating at 20.7 GHz and the other at 31.4 GHz. The measured atmospheric brightness temperatures at these two frequencies yield the estimate of the precipitable water present in both vapor and droplets. To determine the accuracy of the system, a series of observations were undertaken, comparing the outputs of two water vapor radiometers with the phase variation observed with two connected elements of the very large array (VLA). The results show that: (1) water vapor fluctuations dominate the residual VLA phase and (2) the microwave radiometers can measure and correct these effects. The rms phase error after correction is typically 15 deg at a wavelength of 6 cm, corresponding to an uncertainty in the path delay of 0.25 cm. The residual uncertainty is consistent with the stability of the microwave radiometer but is still considerably larger than the stability of the VLA. The technique is less successful under conditions of heavy cloud.

Effects of water vapor on flue gas conditioning in the electric fields with corona discharge.

PubMed

Liqiang, Qi; Yajuan, Zhang

2013-07-15

Sulfur dioxide (SO2) removal via pulsed discharge nonthermal plasma in the absence of ammonia was investigated to determine how electrostatic precipitators (ESPs) can effectively collect particulate matter less than 2.5μm in diameter from flue gas. SO2 removal increased as water vapor concentration increased. In a wet-type plasma reactor, directing a gas-phase discharge plasma toward the water film surface significantly enhanced the liquid-phase oxidation of HSO3(-) to SO4(2-). Comparisons of various absorbents revealed that the hydroxyl radical is a key factor in plasma-induced liquid-phase reactions. The resistivity, size distribution, and cohesive force of fly ash at different water vapor contents were measured using a Bahco centrifuge, which is a dust electrical resistivity test instrument, as well as a cohesive force test apparatus developed by the researchers. When water vapor content increased by 5%, fly ash resistivity in flue gas decreased by approximately two orders of magnitude, adhesive force and size increased, and specific surface area decreased. Therefore, ESP efficiency increased. Copyright © 2013 Elsevier B.V. All rights reserved.

Predicting vapor-liquid phase equilibria with augmented ab initio interatomic potentials

NASA Astrophysics Data System (ADS)

Vlasiuk, Maryna; Sadus, Richard J.

2017-06-01

The ability of ab initio interatomic potentials to accurately predict vapor-liquid phase equilibria is investigated. Monte Carlo simulations are reported for the vapor-liquid equilibria of argon and krypton using recently developed accurate ab initio interatomic potentials. Seventeen interatomic potentials are studied, formulated from different combinations of two-body plus three-body terms. The simulation results are compared to either experimental or reference data for conditions ranging from the triple point to the critical point. It is demonstrated that the use of ab initio potentials enables systematic improvements to the accuracy of predictions via the addition of theoretically based terms. The contribution of three-body interactions is accounted for using the Axilrod-Teller-Muto plus other multipole contributions and the effective Marcelli-Wang-Sadus potentials. The results indicate that the predictive ability of recent interatomic potentials, obtained from quantum chemical calculations, is comparable to that of accurate empirical models. It is demonstrated that the Marcelli-Wang-Sadus potential can be used in combination with accurate two-body ab initio models for the computationally inexpensive and accurate estimation of vapor-liquid phase equilibria.

Predicting vapor-liquid phase equilibria with augmented ab initio interatomic potentials.

PubMed

Vlasiuk, Maryna; Sadus, Richard J

2017-06-28

The ability of ab initio interatomic potentials to accurately predict vapor-liquid phase equilibria is investigated. Monte Carlo simulations are reported for the vapor-liquid equilibria of argon and krypton using recently developed accurate ab initio interatomic potentials. Seventeen interatomic potentials are studied, formulated from different combinations of two-body plus three-body terms. The simulation results are compared to either experimental or reference data for conditions ranging from the triple point to the critical point. It is demonstrated that the use of ab initio potentials enables systematic improvements to the accuracy of predictions via the addition of theoretically based terms. The contribution of three-body interactions is accounted for using the Axilrod-Teller-Muto plus other multipole contributions and the effective Marcelli-Wang-Sadus potentials. The results indicate that the predictive ability of recent interatomic potentials, obtained from quantum chemical calculations, is comparable to that of accurate empirical models. It is demonstrated that the Marcelli-Wang-Sadus potential can be used in combination with accurate two-body ab initio models for the computationally inexpensive and accurate estimation of vapor-liquid phase equilibria.

How cores grow by pebble accretion. I. Direct core growth

NASA Astrophysics Data System (ADS)

Brouwers, M. G.; Vazan, A.; Ormel, C. W.

2018-03-01

Context. Planet formation by pebble accretion is an alternative to planetesimal-driven core accretion. In this scenario, planets grow by the accretion of cm- to m-sized pebbles instead of km-sized planetesimals. One of the main differences with planetesimal-driven core accretion is the increased thermal ablation experienced by pebbles. This can provide early enrichment to the planet's envelope, which influences its subsequent evolution and changes the process of core growth. Aims: We aim to predict core masses and envelope compositions of planets that form by pebble accretion and compare mass deposition of pebbles to planetesimals. Specifically, we calculate the core mass where pebbles completely evaporate and are absorbed before reaching the core, which signifies the end of direct core growth. Methods: We model the early growth of a protoplanet by calculating the structure of its envelope, taking into account the fate of impacting pebbles or planetesimals. The region where high-Z material can exist in vapor form is determined by the temperature-dependent vapor pressure. We include enrichment effects by locally modifying the mean molecular weight of the envelope. Results: In the pebble case, three phases of core growth can be identified. In the first phase (Mcore < 0.23-0.39 M⊕), pebbles impact the core without significant ablation. During the second phase (Mcore < 0.5M⊕), ablation becomes increasingly severe. A layer of high-Z vapor starts to form around the core that absorbs a small fraction of the ablated mass. The rest of the material either rains out to the core or instead mixes outwards, slowing core growth. In the third phase (Mcore > 0.5M⊕), the high-Z inner region expands outwards, absorbing an increasing fraction of the ablated material as vapor. Rainout ends before the core mass reaches 0.6 M⊕, terminating direct core growth. In the case of icy H2O pebbles, this happens before 0.1 M⊕. Conclusions: Our results indicate that pebble accretion can directly form rocky cores up to only 0.6 M⊕, and is unable to form similarly sized icy cores. Subsequent core growth can proceed indirectly when the planet cools, provided it is able to retain its high-Z material.

Image processing of vaporizing GDI sprays: a new curvature-based approach

NASA Astrophysics Data System (ADS)

Lazzaro, Maurizio; Ianniello, Roberto

2018-01-01

This article introduces an innovative method for the segmentation of Mie-scattering and schlieren images of GDI sprays. The contours of the liquid phase are obtained by segmenting the scattering images of the spray by means of optimal filtering of the image, relying on variational methods, and an original thresholding procedure based on an iterative application of Otsu’s method. The segmentation of schlieren images, to get the contours of the spray vapour phase, is obtained by exploiting the surface curvature of the image to strongly enhance the intensity texture due to the vapour density gradients. This approach allows one to unambiguously discern the whole vapour phase of the spray from the background. Additional information about the spray liquid phase can be obtained by thresholding filtered schlieren images. The potential of this method has been substantiated in the segmentation of schlieren and scattering images of a GDI spray of isooctane. The fuel, heated to 363 K, was injected into nitrogen at a density of 1.12 and 3.5 kg m-3 with temperatures of 333 K and 573 K.

Phase Equilibrium of TiO2 Nanocrystals in Flame-Assisted Chemical Vapor Deposition.

PubMed

Liu, Changran; Camacho, Joaquin; Wang, Hai

2018-01-19

Nano-scale titanium oxide (TiO 2 ) is a material useful for a wide range of applications. In a previous study, we showed that TiO 2 nanoparticles of both rutile and anatase crystal phases could be synthesized over the size range of 5 to 20 nm in flame-assisted chemical vapor deposition. Rutile was unexpectedly dominant in oxygen-lean synthesis conditions, whereas anatase is the preferred phase in oxygen-rich gases. The observation is in contrast to the 14 nm rutile-anatase crossover size derived from the existing crystal-phase equilibrium model. In the present work, we made additional measurements over a wider range of synthesis conditions; the results confirm the earlier observations. We propose an improved model for the surface energy that considers the role of oxygen desorption at high temperatures. The model successfully explains the observations made in the current and previous work. The current results provide a useful path to designing flame-assisted chemical vapor deposition of TiO 2 nanocrystals with controllable crystal phases. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structure of complexes between aluminum chloride and other chlorides, 2: Alkali-(chloroaluminates). Gaseous complexes

NASA Technical Reports Server (NTRS)

Hargittai, M.

1980-01-01

The structural chemistry of complexes between aluminum chloride and other metal chlorides is important both for practice and theory. Condensed-phase as well as vapor-phase complexes are of interest. Structural information on such complexes is reviewed. The first emphasis is given to the molten state because of its practical importance. Aluminum chloride forms volatile complexes with other metal chlorides and these vapor-phase complexes are dealt with in the second part. Finally, the variations in molecular shape and geometrical parameters are summarized.

Transformation of amorphous TiO 2 to a hydronium oxofluorotitanate and applications as an HF sensor

DOE PAGES

Appelhans, Leah N.; Finnegan, Patrick S.; Massey, Lee T.; ...

2015-12-24

We examined amorphous titania thin films for use as the active material in a polarimetry based HF sensor. The amorphous titania films were found to be sensitive to vapor phase HF and the reaction product was identified as a hydronium oxofluorotitanate phase, which has previously only been synthesized in aqueous solution. The extent of reaction varied both with vapor phase HF concentration, relative humidity, and the exposure time. HF concentrations as low as 1 ppm could be detected for exposure times of 120 h.

Surfactant effects on interfacial flow and thermal transport processes during phase change in film boiling

NASA Astrophysics Data System (ADS)

Premnath, Kannan N.; Hajabdollahi, Farzaneh; Welch, Samuel W. J.

2018-04-01

The presence of surfactants in two-phase flows results in the transport and adsorption of surfactants to the interface, and the resulting local interfacial concentration significantly influences the surface tension between the liquid and vapor phases in a fluid undergoing phase change. This computational study is aimed at understanding and elucidating the mechanisms of enhanced flows and thermal transport processes in film boiling due to the addition of surfactants. A change in surface tension results in a change in the critical Rayleigh-Taylor wavelength leading to different bubble release patterns and a change in the overall heat transfer rates. Due to the presence of surfactants, an additional transport mechanism of the Marangoni convection arises from the resulting tangential gradients in the surfactant concentration along the phase interface. Our computational approach to study such phenomena consists of representing the interfacial motion by means of the coupled level set-volume-of-fluid method, the fluid motion via the classical marker-and-cell approach, as well as representations for the bulk transport of energy and surfactants, in conjunction with a phase change model and an interfacial surfactant model. Using such an approach, we perform numerical simulations of surfactant-laden single mode as well as multiple mode film boiling and study the effect of surfactants on the transport processes in film boiling, including bubble release patterns, vapor generation rates, and heat transfer rates at different surfactant concentrations. The details of the underlying mechanisms will be investigated and interpreted.

Decoration of vertical graphene with aerosol nanoparticles for gas sensing

NASA Astrophysics Data System (ADS)

Cui, Shumao; Guo, Xiaoru; Ren, Ren; Zhou, Guihua; Chen, Junhong

2015-08-01

A facile method was demonstrated to decorate aerosol Ag nanoparticles onto vertical graphene surfaces using a mini-arc plasma reactor. The vertical graphene was directly grown on a sensor electrode using a plasma-enhanced chemical vapor deposition (PECVD) method. The aerosol Ag nanoparticles were synthesized by a simple vapor condensation process using a mini-arc plasma source. Then, the nanoparticles were assembled on the surface of vertical graphene through the assistance of an electric field. Based on our observation, nonagglomerated Ag nanoparticles formed in the gas phase and were assembled onto vertical graphene sheets. Nanohybrids of Ag nanoparticle-decorated vertical graphene were characterized for ammonia gas detection at room temperature. The vertical graphene served as the conductance channel, and the conductance change upon exposure to ammonia was used as the sensing signal. The sensing results show that Ag nanoparticles significantly improve the sensitivity, response time, and recovery time of the sensor.

Extraction of spatiotemporal response information from sorption-based cross-reactive sensor arrays for the identification and quantification of analyte mixtures

NASA Astrophysics Data System (ADS)

Woodka, Marc D.; Brunschwig, Bruce S.; Lewis, Nathan S.

2008-03-01

Linear sensor arrays made from small molecule/carbon black composite chemiresistors placed in a low headspace volume chamber, with vapor delivered at low flow rates, allowed for the extraction of chemical information that significantly increased the ability of the sensor arrays to identify vapor mixture components and to quantify their concentrations. Each sensor sorbed vapors from the gas stream to various degrees. Similar to gas chromatography, species having high vapor pressures were separated from species having low vapor pressures. Instead of producing typical sensor responses representative of thermodynamic equilibrium between each sensor and an unchanging vapor phase, sensor responses varied depending on the position of the sensor in the chamber and the time from the beginning of the analyte exposure. This spatiotemporal (ST) array response provided information that was a function of time as well as of the position of the sensor in the chamber. The responses to pure analytes and to multi-component analyte mixtures comprised of hexane, decane, ethyl acetate, chlorobenzene, ethanol, and/or butanol, were recorded along each of the sensor arrays. Use of a non-negative least squares (NNLS) method for analysis of the ST data enabled the correct identification and quantification of the composition of 2-, 3-, 4- and 5-component mixtures from arrays using only 4 chemically different sorbent films and sensor training on pure vapors only. In contrast, when traditional time- and position-independent sensor response information was used, significant errors in mixture identification were observed. The ability to correctly identify and quantify constituent components of vapor mixtures through the use of such ST information significantly expands the capabilities of such broadly cross-reactive arrays of sensors.

Mass spectrometric studies of 1-ethyl-3-methylimidazolium and 1-propyl-2,3-dimethylimidazolium bis(trifluoromethyl)-sulfonylimides.

PubMed

Chilingarov, Norbert S; Medvedev, Artem A; Deyko, Grigoriy S; Kustov, Leonid M; Chernikova, Elena A; Glukhov, Lev M; Markov, Vitaliy Yu; Ioffe, Il'ya N; Senyavin, Vladimir M; Polyakova, Marina V; Sidorov, Lev N

2015-07-15

Ionic liquids ([Cat(+)][An(-)]) were believed to decompose before reaching vaporization temperatures, but recently some of them have been shown to vaporize congruently. Low-temperature vaporization of ionic substances is an intriguing phenomenon, so the vapor-phase composition and reactions of ionic liquids deserve more extensive study. Evaporation of two ionic liquids, [C2MIM(+)][Tf2 N(-)] and [C3MMIM(+)][Tf2N(-)], was studied by means of Knudsen effusion mass spectrometry. These liquids were also characterized using matrix-assisted laser desorption/ionization (MALDI) mass spectrometry, UV/Vis, IR, NMR spectroscopy, and elemental analysis. The vaporization enthalpies of (118 ± 3) and (124 ± 2) kJ·mol(-1) were determined for [C2MIM(+)][Tf2N(-)] and [C3MMIM(+)][Tf2N(-)], respectively. The corresponding equations for their saturated vapor pressures are: ln(p{[C2MIM(+)][Tf2N(-)]}/Pa) = -(14213 ± 325)/(T/K) + (26.57 ± 1.04), ln(p{[C2MMIM(+)][Tf2N(-)]}/Pa) = -(14868 ± 221)/(T/K) + (27.19 ± 0.60). The MALDI studies (positive and negative ion modes) enabled detection of monomeric [Cat(+)] and [An(-)] ions, the cluster ions {[Cat(+)]2 [An(-)]}(+) and {[Cat(+)][An(-)]2}(-), and some complex anions {2[An(-)] + Na(+)}(-), {2[An(-)] + K(+)}(-), {2[An(-)] + Cu(+)}(-) and {3[An(-)] + Ca(2+)}(-). Knudsen effusion mass spectrometry proved to be a valuable method to study the thermodynamics of ionic liquids. The saturated vapor pressure and vaporization enthalpy of [C3MMIM(+)][Tf2N(-)] were accurately determined for the first time. MALDI is also capable of providing indirect information on hydrogen bonding. Copyright © 2015 John Wiley & Sons, Ltd.

Assessment of the Vapor Phase Catalytic Ammonia Removal (VPCAR) Technology at the MSFC ECLS Test Facility

NASA Technical Reports Server (NTRS)

Tomes, Kristin; Long, David; Carter, Layne; Flynn, Michael

2007-01-01

The Vapor Phase Catalytic Ammonia. Removal (VPCAR) technology has been previously discussed as a viable option for. the Exploration Water Recovery System. This technology integrates a phase change process with catalytic oxidation in the vapor phase to produce potable water from exploration mission wastewaters. A developmental prototype VPCAR was designed, built and tested under funding provided by a National Research. Announcement (NRA) project. The core technology, a Wiped Film Rotating Device (WFRD) was provided by Water Reuse Technologies under the NRA, whereas Hamilton Sundstrand Space Systems International performed the hardware integration and acceptance test. of the system. Personnel at the-Ames Research Center performed initial systems test of the VPCAR using ersatz solutions. To assess the viability of this hardware for Exploration. Life Support (ELS) applications, the hardware has been modified and tested at the MSFC ECLS Test facility. This paper summarizes the hardware modifications and test results and provides an assessment of this technology for the ELS application.

A Water Recovery System Evolved for Exploration

NASA Technical Reports Server (NTRS)

ORourke, Mary Jane E.; Perry, Jay L.; Carter, Donald L.

2006-01-01

A new water recovery system designed towards fulfillment of NASA's Vision for Space Exploration is presented. This water recovery system is an evolution of the current state-of-the-art system. Through novel integration of proven technologies for air and water purification, this system promises to elevate existing technology to higher levels of optimization. The novel aspect of the system is twofold: Volatile organic contaminants will be removed from the cabin air via catalytic oxidation in the vapor phase, prior to their absorption into the aqueous phase, and vapor compression distillation technology will be used to process the condensate and hygiene waste streams in addition to the urine waste stream. Oxidation kinetics dictate that removal of volatile organic contaminants from the vapor phase is more efficient. Treatment of the various waste streams by VCD will reduce the load on the expendable ion exchange and adsorption media which follow, and on the aqueous-phase volatile removal assembly further downstream. Incorporating these advantages will reduce the weight, volume, and power requirements of the system, as well as resupply.

Chirality-Controlled Growth of Single-Wall Carbon Nanotubes Using Vapor Phase Epitaxy: Mechanistic Understanding and Scalable Production

DTIC Science & Technology

2016-09-15

controlled synthesis of single-wall carbon nanotubes. Firstly, we have successfully demonstrated a vapor-phase-epitaxy-analogous general strategy for...preselected chirality. Moreover, we carried out systematic investigations of the chirality-dependent growth kinetics and termination mechanism for the... generally believed that the diameters of the nanotubes are determined by the size of the catalytic metal particles. Unfortunately, attempts to control

Vapor-phase fabrication of β-iron oxide nanopyramids for lithium-ion battery anodes.

PubMed

Carraro, Giorgio; Barreca, Davide; Cruz-Yusta, Manuel; Gasparotto, Alberto; Maccato, Chiara; Morales, Julián; Sada, Cinzia; Sánchez, Luis

2012-12-07

The other polymorph: A vapor-phase route for the fabrication of β-Fe(2)O(3) nanomaterials on Ti substrates at 400-500 °C is reported. For the first time, the β polymorph is tested as anode for lithium batteries, exhibiting promising performances in terms of Li storage and rate capability. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Direct observation of the evolution of a seafloor 'black smoker' from vapor to brine

USGS Publications Warehouse

Von Damm, Karen L.; Buttermore, L.G.; Oosting, S.E.; Bray, A.M.; Fornari, D.J.; Lilley, M.D.; Shanks, Wayne C.

1997-01-01

A single hydrothermal vent, 'F' vent, occurring on very young crust at 9??16.8???N, East Pacific Rise, was sampled in 1991 and 1994. In 1991, at the measured temperature of 388??C and seafloor pressure of 258 bar, the fluids from this vent were on the two-phase curve for seawater. These fluids were very low in chlorinity and other dissolved species, and high in gases compared to seawater and most sampled seafloor hydrothermal vent fluids. In 1994, when this vent was next sampled, it had cooled to 351??C and was venting fluids ???1.5 times seawater chlorinity. This is the first reported example of a single seafloor hydrothermal vent evolving from vapor to brine. The 1991 and 1994 fluids sampled from this vent are compositionally conjugate pairs to one another. These results support the hypothesis that vapor-phase fluids vent in the early period following a volcanic eruption, and that the liquid-phase brines are stored within the oceanic crust, and vent at a later time, in this case 3 years. These results demonstrate that the venting of brines can occur in the same location, in fact from the same sulfide edifice, where the vapor-phase fluids vented previously.

Raman gas sensing of modified Ag nanoparticle SERS

NASA Astrophysics Data System (ADS)

Myoung, NoSoung; Yoo, Hyung Keun; Hwang, In-Wook

2014-03-01

Recent progress in modified Surface Enhanced Raman Scattering (SERS) using Ag nanoparticles makes them promising optical technique for direct gas sensing of interest. However, SERS has been shown to provide sub ppb level detection of the compounds in the vapor phase. The major problem with the sensitivity scaling-up was in the development of fabrication technology for stability and reproducibility of SERS substrates. We report an optimization of 1-propanethiol coated multiple Ag nanoparticle layers on SiO2 substrate as well as new records of real-time, simultaneous vapor phase detection of toluene and 1-2 dichlorobenzene by the radiation of fiber optic coupled 785 nm diode laser and spectrograph. Multiple depositions of Ag NPs were loaded on SiO2 and soaked in 1-propanethiol solution for 24 hours to modify the surface into hydrophobic due to the characteristics of vapor phase of our interests. Raman bands at 1003 cm-1 and 1130 cm-1 for toluene and 12DCB, respectively were compared to 1089 cm-1 and each gas concentration in 1000 mL flask were calculated as a function of each vapor phase ratio. The saturation of toluene and 12DCB were limited only by 800 ppm and the detectable range was 0.6-800 ppm.

Gelatin-hydroxypropyl methylcellulose water-in-water emulsions as a new bio-based packaging material.

PubMed

Esteghlal, Sara; Niakosari, Mehrdad; Hosseini, Seyed Mohammad Hashem; Mesbahi, Gholam Reza; Yousefi, Gholam Hossein

2016-05-01

Gelatin and hydroxypropyl methylcellulose (HPMC) are two incompatible and immiscible biopolymers which cannot form homogeneous composite films using usual methods. In this study, to prevent phase separation, gelatin-HPMC water-in-water (W/W) emulsion was utilized to from transparent composite films by entrapment the HPMC dispersed droplets in gelatin continuous network. The physicochemical and mechanical properties of emulsion-based films containing different amounts (5-30%) of dispersed phase were determined and compared with those of individual polymer-based films. Incorporating HPMC into W/W emulsion-based films had no significant effect on the tensile strength. The flexibility of composite films decreased at HPMC concentrations below 20%. The depletion layer at the droplets interface reduced the diffusion of water vapor molecules because of its hydrophobic nature, so the water vapor permeability remained constant. Increasing the HPMC content in the emulsion films increased the swelling and decreased the transparency. The entrapment of HPMC in continuous gelatin phase decreased its solubility. Therefore, W/W emulsions are capable of holding two incompatible polymers alongside each other within a homogeneous film network without weakening the physical properties. Copyright © 2016 Elsevier B.V. All rights reserved.

A Generalized Eulerian-Lagrangian Analysis, with Application to Liquid Flows with Vapor Bubbles

NASA Technical Reports Server (NTRS)

Dejong, Frederik J.; Meyyappan, Meyya

1993-01-01

Under a NASA MSFC SBIR Phase 2 effort an analysis has been developed for liquid flows with vapor bubbles such as those in liquid rocket engine components. The analysis is based on a combined Eulerian-Lagrangian technique, in which Eulerian conservation equations are solved for the liquid phase, while Lagrangian equations of motion are integrated in computational coordinates for the vapor phase. The novel aspect of the Lagrangian analysis developed under this effort is that it combines features of the so-called particle distribution approach with those of the so-called particle trajectory approach and can, in fact, be considered as a generalization of both of those traditional methods. The result of this generalization is a reduction in CPU time and memory requirements. Particle time step (stability) limitations have been eliminated by semi-implicit integration of the particle equations of motion (and, for certain applications, the particle temperature equation), although practical limitations remain in effect for reasons of accuracy. The analysis has been applied to the simulation of cavitating flow through a single-bladed section of a labyrinth seal. Models for the simulation of bubble formation and growth have been included, as well as models for bubble drag and heat transfer. The results indicate that bubble formation is more or less 'explosive'. for a given flow field, the number density of bubble nucleation sites is very sensitive to the vapor properties and the surface tension. The bubble motion, on the other hand, is much less sensitive to the properties, but is affected strongly by the local pressure gradients in the flow field. In situations where either the material properties or the flow field are not known with sufficient accuracy, parametric studies can be carried out rapidly to assess the effect of the important variables. Future work will include application of the analysis to cavitation in inducer flow fields.

Phase diagram of nanoscale alloy particles used for vapor-liquid-solid growth of semiconductor nanowires.

PubMed

Sutter, Eli; Sutter, Peter

2008-02-01

We use transmission electron microscopy observations to establish the parts of the phase diagram of nanometer sized Au-Ge alloy drops at the tips of Ge nanowires (NWs) that determine their temperature-dependent equilibrium composition and, hence, their exchange of semiconductor material with the NWs. We find that the phase diagram of the nanoscale drop deviates significantly from that of the bulk alloy, which explains discrepancies between actual growth results and predictions on the basis of the bulk-phase equilibria. Our findings provide the basis for tailoring vapor-liquid-solid growth to achieve complex one-dimensional materials geometries.

Finite Element Analysis Modeling of Chemical Vapor Deposition of Silicon Carbide

DTIC Science & Technology

2014-06-19

thesis primarily focuses on mass transport by gas -phase flow and diffusion , chemical reaction in gas phase and on solid surfaces, and thin film...chemical vapor deposition (CVD). This thesis primarily focuses on mass transport by gas -phase flow and diffusion , chemical reaction in gas phase and...9 Fluid Flow…………………………………………..…………………..…………….9 Thermodynamics………………………………………..………………….….…….11 Chemical Reaction and Diffusion

Method and apparatus for vapor detection

NASA Technical Reports Server (NTRS)

Lerner, Melvin (Inventor); Hood, Lyal V. (Inventor); Rommel, Marjorie A. (Inventor); Pettitt, Bruce C. (Inventor); Erikson, Charles M. (Inventor)

1980-01-01

The method disclosed herein may be practiced by passing the vapors to be sampled along a path with halogen vapor, preferably chlorine vapor, heating the mixed vapors to halogenate those of the sampled vapors subject to halogenation, removing unreacted halogen vapor, and then sensing the vapors for organic halogenated compounds. The apparatus disclosed herein comprises means for flowing the vapors, both sample and halogen vapors, into a common path, means for heating the mixed vapors to effect the halogenation reaction, means for removing unreacted halogen vapor, and a sensing device for sensing halogenated compounds. By such a method and means, the vapors of low molecular weight hydrocarbons, ketones and alcohols, when present, such as methane, ethane, acetone, ethanol, and the like are converted, at least in part, to halogenated compounds, then the excess halogen removed or trapped, and the resultant vapors of the halogenated compounds sensed or detected. The system is highly sensitive. For example, acetone in a concentration of 30 parts per billion (volume) is readily detected.

Determination of Hg(II) in waters by on-line preconcentration using Cyanex 923 as a sorbent — Cold vapor atomic absorption spectrometry

NASA Astrophysics Data System (ADS)

Duan, Taicheng; Song, Xuejie; Xu, Jingwei; Guo, Pengran; Chen, Hangting; Li, Hongfei

2006-09-01

Using a solid phase extraction mini-column home-made from a neutral extractant Cyanex 923, inorganic Hg could be on-line preconcentrated and simultaneously separated from methyl mercury. The preconcentrated Hg (II) was then eluted with 10% HNO 3 and subsequently reduced by NaBH 4 to form Hg vapor before determination by cold vapor atomic absorption spectrometry (CVAAS). Optimal conditions for and interferences on the Hg preconcentration and measurement were at 1% HCl, for a 25 mL sample uptake volume and a 10 mL min - 1 sample loading rate. The detection limit was 0.2 ng L - 1 and much lower than that of conventional method (around 15.8 ng L - 1 ). The relative standard deviation (RSD) is 1.8% for measurements of 40 ng L - 1 of Hg and the linear working curve is from 20 to 2000 ng L - 1 (with a correlation coefficient of 0.9996). The method was applied in determination of inorganic Hg in city lake and deep well water (from Changchun, Jilin, China), and recovery test results for both samples were satisfactory.

Investigation of Thermochemistry Associated with the Carbon–Carbon Coupling Reactions of Furan and Furfural Using ab Initio Methods

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

Liu, Cong; Assary, Rajeev S.; Curtiss, Larry A.

2014-06-26

Upgrading of furan and small oxygenates obtained from the decomposition of cellulosic materials via formation of carbon-carbon bonds is critical to effective conversion of biomass to liquid transportation fuels. Simulation-driven molecular level understanding of carbon-carbon bond formation is required to design efficient catalysts and processes. Accurate quantum chemical methods are utilized here to predict the reaction energetics for conversion of furan (C4H4O) to C5-C8 ethers and the transformation of furfural (C5H6O2) to C13-C26 alkanes. Furan, can be coupled with various C1 to C4 lower molecular weight carbohydrates obtained from the pyrolysis via Diels-Alder type reactions in the gas phase tomore » produce C5-C8 cyclic ethers. The computed reaction barriers for these reactions (~25 kcal/mol) are lower than the cellulose activation or decomposition reactions (~50 kcal/mol). Cycloaddition of C5-C8 cyclo-ethers with furans can also occur in the gas phase, and the computed activation energy is similar to that of the first Diels-Alder reaction. Furfural, obtained from biomass, can be coupled with aldehydes or ketones with α-hydrogen atoms to form longer chain aldol products and these aldol products can undergo vapor phase hydrocycloaddition (activation barrier of ~20 kcal/mol) to form the precursors of C26 cyclic hydrocarbons. These thermochemical studies provide the basis for further vapor phase catalytic studies required for upgrading of furans/furfurals to longer chain hydrocarbons.« less

[Headspace analysis of volatile organic compounds (VOC) in drinking water by the method of gas chromatography].

PubMed

Sotnikov, E E; Zagaynov, V F; Mikhaylova, R I; Milochkin, D A; Ryzhova, I N; Kornilov, I O

2014-01-01

In the paper there is presented a methodology of analysis of headspace 52 volatile organic compounds in drinking water by the method of gas chromatography with the use of the chromatograph "Crystal 5000.2" with three detectors and automatic attachment Lab Hut 200N NT-200 for the preparation of the sample water and vapor phase input. The lower limit of detection for all compounds in the 2-10 times lower than that of the corresponding standard value.

Dispersive micro-solid phase extraction combined with dispersive liquid-liquid microextraction for speciation analysis of antimony by electrothermal vaporization inductively coupled plasma mass spectrometry

NASA Astrophysics Data System (ADS)

Chen, Shizhong; Zhu, Shengping; Lu, Dengbo

2018-01-01

A method was developed for speciation analysis of antimony by electrothermal vaporization inductively coupled plasma mass spectrometry (ETV-ICP-MS) after preconcentration/separation using dispersive micro-solid phase extraction (DMSPE) and dispersive liquid-liquid micro-extraction (DLLME). In DMSPE, titanium dioxide nanofibers were used for preconcentration and separation of analytes. The upper aqueous phase and elution solution from DMSPE were used for further preconcentration and separation of Sb(III) and Sb(V) by DLLME without any pre-oxidation or pre-reduction operation, respectively. The extracts from DLLME were used for ETV-ICP-MS determination with APDC as a chemical modifier. Under optimal conditions, the detection limits of this method were 0.019 and 0.025 pg mL- 1 with relative standard deviations of 5.7% and 6.9% for Sb(III) and Sb(V) (c = 1.0 ng mL- 1, n = 9), respectively. This method was applied for speciation analysis of Sb and its distribution in the tea leaves and the tea infusion, including total, suspended, soluble, organic and inorganic Sb as well as Sb(III) and Sb(V). The results showed that the contents of Sb are 62.7, 12.9 and 47.3 ng g- 1 in the tea leaves, tea residue and tea soup, respectively; those of soluble, organic, inorganic, Sb(III) and Sb(V) are 0.41, 0.11, 0.29, 0.21 and 0.07 ng mL- 1 in the tea soup, respectively. A certified reference material of tea leaves (GBW 07605) was analyzed by this method with satisfactory results.

Evaluation of soil water stable isotope analysis by H2O(liquid)-H2O(vapor) equilibration method

NASA Astrophysics Data System (ADS)

Gralher, Benjamin; Stumpp, Christine

2014-05-01

Environmental tracers like stable isotopes of water (δ18O, δ2H) have proven to be valuable tools to study water flow and transport processes in soils. Recently, a new technique for soil water isotope analysis has been developed that employs a vapor phase being in isothermal equilibrium with the liquid phase of interest. This has increased the potential application of water stable isotopes in unsaturated zone studies as it supersedes laborious extraction of soil water. However, uncertainties of analysis and influencing factors need to be considered. Therefore, the objective of this study was to evaluate different methodologies of analysing stable isotopes in soil water in order to reduce measurement uncertainty. The methodologies included different preparation procedures of soil cores for equilibration of vapor and soil water as well as raw data correction. Two different inflatable sample containers (freezer bags, bags containing a metal layer) and equilibration atmospheres (N2, dry air) were tested. The results showed that uncertainties for δ18O were higher compared to δ2H that cannot be attributed to any specific detail of the processing routine. Particularly, soil samples with high contents of organic matter showed an apparent isotope enrichment which is indicative for fractionation due to evaporation. However, comparison of water samples obtained from suction cups with the local meteoric water line indicated negligible fractionation processes in the investigated soils. Therefore, a method was developed to correct the raw data reducing the uncertainties of the analysis.. We conclude that the evaluated method is advantageous over traditional methods regarding simplicity, resource requirements and sample throughput but careful consideration needs to be made regarding sample handling and data processing. Thus, stable isotopes of water are still a good tool to determine water flow and transport processes in the unsaturated zone.

Local Time Variation of Water Vapor on Mars using TES Aerobraking Spectra

NASA Astrophysics Data System (ADS)

AlShamsi, M. R.; AlJanaahi, A. A.; Smith, M. D.; Altunaiji, E. S.; Edwards, C. S.

2016-12-01

During the Mars Global Surveyor (MGS) aerobraking phase, the spacecraft was in a large elliptical orbit that enabled the Thermal Emission Spectrometer (TES) instrument to sample many local times of Mars. The observed TES aerobraking spectra during that phase cover the time range between Mars Year 23, Ls=180° and Mars Year 24, Ls=30°. These TES aerobraking spectra have never been analyzed to study local time variations on Mars. Through radiative transfer modeling of the spectra, surface and atmospheric temperature, dust and water ice optical depth, and water vapor were retrieved. Specifically, the water vapor retrievals during aerobraking have similar seasonal and latitudinal trends to those in other Mars years observed by TES. These retrievals show somewhat higher water vapor during the morning hours (09:00-12:00) than in the afternoon (12:00-17:00) during southern summer (Ls=270°-330°) and little variation as a function of local time for southern fall (Ls=0°-30°). These retrievals show water vapor has a positive correlation with surface pressure (or negative correlation with altitude) indicating that water vapor is mixed in the lowest 10-20 km.

Vapour phase growth and characterization of II-VI mixed crystals

NASA Astrophysics Data System (ADS)

Reddy, D. R.; Reddy, B. K.

1992-02-01

All II-VI semiconductors with melting temperatures well above 1000 degree(s)C and with appreciable congruent vaporization well below their melting temperatures leave little scope for any growth technique except for the slow but efficient vaporphase growth method. Theoretical flaw in diffusion models of vapor phase growth was corrected by Factor and Garrett by incorporating the flow velocity term which otherwise would lead to segregation of constituents. An additional degree of freedom arising from the presence of two components was well utilized to finely control the stoichiometry in binaries. In mixed II-VI systems the components are either three or four, depending on whether the system is a ternary or a quaternary. The added degrees of freedom make it very difficult to control stoichiometry. However, Igaki et al. demonstrated the feasibility of control of stoichiometry in CdSxSe1-x. In this paper, a self-sealing vaporphase growth technique used for both ternary and quaternary system is described. The systems studied are CdSxSe1-x, (ZnSe)x(CdTe)1-x and (ZnTe)x(CdSe)1-x. Results on growth mechanism, miscibility, structure, band gap variation, conductivity type variation with 'x' and transport properties are presented in a comparative way and discussed. CdSxSe1-x system in the entire 'X' has the same crystal structure and type of conductivity. The second system has the same zincblend structure but the type of conductivity is very sensitive to thermal treatment. In the last system both structure and types of conductivity are different. The discontinuities in properties associated with this divergent end compound are presented and discussed. Among the physical properties/parameters studied crystal structure, bandgap and nature of conductivity are tailorable, and magnitudes of conductivity and dielectric properties are very difficult to control in the crystals grown by this vapor phase method.

Quantitative infrared and near-infrared gas-phase spectra for pyridine: Absolute intensities and vibrational assignments

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

Johnson, T. J.; Aker, P. M.; Scharko, N. K.

Using vetted methods for generating quantitative absorption reference data, broadband infrared and near-infrared spectra (total range 11,000 – 600 cm-1) of pyridine vapor were recorded at 0.1 cm-1 spectral resolution, with the analyte thermostatted at 298 K and pressure-broadened to 1 atmosphere using N2 ballast gas. The quantitative spectrum is reported for the first time, and we have re-assigned some of the 27 fundamental modes. Fundamental assignments were confirmed by IR vapor phase band shapes, FT-Raman measurements and comparison with previous analyses. For the 760-Torr vapor-phase IR data several bands show resolved peaks (Q-branches). We have also assigned for themore » first time hundreds of combination and overtone bands in the mid- and near-IR. All assignments were made via comparison to theoretically calculated frequencies and intensities: The frequencies were computed with Gaussian03 with the anharmonic option, using MP2 and the ccpvtz basis set. The intensities were taken from a VSCF calculation in GAMESS using Hartree-Fock (for overtones and combination bands) or from the harmonic MP2 for fundamentals. Overtone and combination band harmonic and anharmonic frequencies, as well as intensities were also calculated using the CFOUR program. It is seen in the NIR spectrum near 6000 cm-1 that the very strong bands arise from the C-H first overtones, whereas only much weaker bands are observed for combination bands of C-H stretching modes. Certain features are discussed for their potential utility for atmospheric monitoring.« less

Determination of mercury distribution inside spent compact fluorescent lamps by atomic absorption spectrometry

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

Rey-Raap, Natalia; Gallardo, Antonio, E-mail: gallardo@emc.uji.es

Highlights: Black-Right-Pointing-Pointer New treatments for CFL are required considering the aim of Directive 202/96/CE. Black-Right-Pointing-Pointer It is shown that most of the mercury introduced into a CFL is in the phosphor powder. Black-Right-Pointing-Pointer Experimental conditions for microwave-assisted sample digestion followed by AAS measurements are described. Black-Right-Pointing-Pointer By washing the glass it is possible to reduce the concentration below legal limits. - Abstract: In this study, spent compact fluorescent lamps were characterized to determine the distribution of mercury. The procedure used in this research allowed mercury to be extracted in the vapor phase, from the phosphor powder, and the glass matrix.more » Mercury concentration in the three phases was determined by the method known as cold vapor atomic absorption spectrometry. Median values obtained in the study showed that a compact fluorescent lamp contained 24.52 {+-} 0.4 ppb of mercury in the vapor phase, 204.16 {+-} 8.9 ppb of mercury in the phosphor powder, and 18.74 {+-} 0.5 ppb of mercury in the glass matrix. There are differences in mercury concentration between the lamps since the year of manufacture or the hours of operation affect both mercury content and its distribution. The 85.76% of the mercury introduced into a compact fluorescent lamp becomes a component of the phosphor powder, while more than 13.66% is diffused through the glass matrix. By washing and eliminating all phosphor powder attached to the glass surface it is possible to classified the glass as a non-hazardous waste.« less

Survey of current and emerging technologies for biological contamination control

NASA Astrophysics Data System (ADS)

Frick, Andreas; Mogul, Rakesh

2012-07-01

This study will survey current and emerging technologies for biological contamination control within the context of planetary protection. Using a systems analysis approach, our objective is to compare various implementation variables across tasks ranging from surface cleaning to full-system sterilization for spacecraft and spacecraft components. Methods reviewed include vapor-phase hydrogen peroxide, plasma-phase sterilants such as oxygen and hydrogen peroxide, dry heat, laser-based techniques, supercritical carbon dioxide-based methods, and advanced bio-barriers. These methods will be evaluated in relation to relevant mission architectures and will address aspects of sample return missions. Results from this study, therefore, will offer new insights into the present-day engineering capabilities and future developmental concerns for missions targeting icy satellites, Mars, and other locations of astrochemical and astrobiological significance.

Benzocaine polymorphism: pressure-temperature phase diagram involving forms II and III.

PubMed

Gana, Inès; Barrio, Maria; Do, Bernard; Tamarit, Josep-Lluís; Céolin, René; Rietveld, Ivo B

2013-11-18

Understanding the phase behavior of an active pharmaceutical ingredient in a drug formulation is required to avoid the occurrence of sudden phase changes resulting in decrease of bioavailability in a marketed product. Benzocaine is known to possess three crystalline polymorphs, but their stability hierarchy has so far not been determined. A topological method and direct calorimetric measurements under pressure have been used to construct the topological pressure-temperature diagram of the phase relationships between the solid phases II and III, the liquid, and the vapor phase. In the process, the transition temperature between solid phases III and II and its enthalpy change have been determined. Solid phase II, which has the highest melting point, is the more stable phase under ambient conditions in this phase diagram. Surprisingly, solid phase I has not been observed during the study, even though the scarce literature data on its thermal behavior appear to indicate that it might be the most stable one of the three solid phases. Copyright © 2013 Elsevier B.V. All rights reserved.

Determination of the vapor-liquid transition of square-well particles using a novel generalized-canonical-ensemble-based method

NASA Astrophysics Data System (ADS)

Zhao, Liang; Xu, Shun; Tu, Yu-Song; Zhou, Xin

2017-06-01

Not Available Project supported by the National Natural Science Foundation for Outstanding Young Scholars, China (Grant No. 11422542), the National Natural Science Foundation of China (Grant Nos. 11605151 and 11675138), and the Shanghai Supercomputer Center of China and Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase).

Phase 1 remediation of jet fuel contaminated soil and groundwater at JFK International Airport using dual phase extraction and bioventing

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

Roth, R.; Bianco, P. Rizzo, M.; Pressly, N.

1995-12-31

Soil and groundwater contaminated with jet fuel at Terminal One of the JFK International Airport in New York have been remediated using dual phase extraction (DPE) and bioventing. Two areas were remediated using 51 DPE wells and 20 air sparging/air injection wells. The total area remediated by the DPE wells is estimated to be 4.8 acres. Groundwater was extracted to recover nonaqueous phase and aqueous phase jet fuel from the shallow aquifer and treated above ground by the following processes; oil/water separation, iron-oxidation, flocculation, sedimentation, filtration, air stripping and liquid-phase granular activated carbon (LPGAC) adsorption. The extracted vapors were treatedmore » by vapor-phase granular activated carbon (VPGAC) adsorption in one area, and catalytic oxidation and VPGAC adsorption in another area. After 6 months of remediation, approximately 5,490 lbs. of volatile organic compounds (VOCs) were removed by soil vapor extraction (SVE), 109,650 lbs. of petroleum hydrocarbons were removed from the extracted groundwater, and 60,550 lbs. of petroleum hydrocarbons were biologically oxidized by subsurface microorganisms. Of these three mechanisms, the rate of petroleum hydrocarbon removal was the highest for biological oxidation in one area and by groundwater extraction in another area.« less

Correlations for Vapor Nucleating Critical Embryo Parameters

NASA Astrophysics Data System (ADS)

Magnusson, Lars-Erik; Koropchak, John A.; Anisimov, Michael P.; Poznjakovskiy, Valeriy M.; de la Mora, Juan Fernandez

2003-12-01

Condensation nucleation light scattering detection in principle works by converting the effluent of the chromatographic separation into an aerosol and then selectively evaporating the mobile phase, leaving less volatile analytes and nonvolatile impurities as dry aerosol particles. The dry particles produced are then exposed to an environment that is saturated with the vapors of an organic solvent (commonly n-butanol). The blend of aerosol particles and organic vapor is then cooled so that conditions of vapor supersaturation are achieved. In principle, the vapor then condenses onto the dry particles, growing each particle (ideally) from as small as a few nanometers in diameter into a droplet with a diameter up to about 10 μm. The grown droplets are then passed through a beam of light, and the light scattered by the droplets is detected and used as the detector response. This growth and detection step is generally carried out using commercial continuous-flow condensation nucleus counters. In the present research, the possibility of using other fluids than the commonly used n-butanol is investigated. The Kelvin equation and the Nucleation theorem [Anisimov et al. (1978)] are used to evaluate a range of fluids for efficacy of growing small particles by condensation nucleation. Using the available experimental data on vapor nucleation, the correlations of Kelvin diameters (the critical embryo sizes) and the bulk surface tension with dielectric constants of working liquids are found. A simple method for choosing the most efficient fluid, within a class of fluids, for growth of small particles is suggested.