Pharmaceutical Perspective on Opalescence and Liquid-Liquid Phase Separation in Protein Solutions.

Science.gov (United States)

Raut, Ashlesha S; Kalonia, Devendra S

2016-05-02

Opalescence in protein solutions reduces aesthetic appeal of a formulation and can be an indicator of the presence of aggregates or precursor to phase separation in solution signifying reduced product stability. Liquid-liquid phase separation of a protein solution into a protein-rich and a protein-poor phase has been well-documented for globular proteins and recently observed for monoclonal antibody solutions, resulting in physical instability of the formulation. The present review discusses opalescence and liquid-liquid phase separation (LLPS) for therapeutic protein formulations. A brief discussion on theoretical concepts based on thermodynamics, kinetics, and light scattering is presented. This review also discusses theoretical concepts behind intense light scattering in the vicinity of the critical point termed as "critical opalescence". Both opalescence and LLPS are affected by the formulation factors including pH, ionic strength, protein concentration, temperature, and excipients. Literature reports for the effect of these formulation factors on attractive protein-protein interactions in solution as assessed by the second virial coefficient (B2) and the cloud-point temperature (Tcloud) measurements are also presented. The review also highlights pharmaceutical implications of LLPS in protein solutions.

Transport of Liquid Phase Organic Solutes in Liquid Crystalline Membranes

OpenAIRE

Han, Sangil

2010-01-01

Porous cellulose nitrate membranes were impregnated with 8CB and PCH5 LCs (liquid crystals) and separations of solutes dissolved in aqueous phases were performed while monitoring solute concentration via UV-VIS spectrometry. The diffusing organic solutes, which consist of one aromatic ring and various functional groups, were selected to exclude molecular size effects on the diffusion and sorption. We studied the effects on solute transport of solute intra-molecular hydrogen bonding and so...

Phase Relations in Ternary Systems in the Subsolidus Region: Methods to Formulate Solid Solution Equations and to Find Particular Compositions

Science.gov (United States)

Alvarez-Montan~o, Victor E.; Farías, Mario H.; Brown, Francisco; Mun~oz-Palma, Iliana C.; Cubillas, Fernando; Castillon-Barraza, Felipe F.

2017-01-01

A good understanding of ternary phase diagrams is required to advance and/or to reproduce experimental research in solid-state and materials chemistry. The aim of this paper is to describe the solutions to problems that appear when studying or determining ternary phase diagrams. A brief description of the principal features shown in phase diagrams…

Lower critical solution temperature (LCST) phase separation of glycol ethers for forward osmotic control.

Science.gov (United States)

Nakayama, Daichi; Mok, Yeongbong; Noh, Minwoo; Park, Jeongseon; Kang, Sunyoung; Lee, Yan

2014-03-21

Lower critical solution temperature (LCST) phase transition of glycol ether (GE)-water mixtures induces an abrupt change in osmotic pressure driven by a mild temperature change. The temperature-controlled osmotic change was applied for the forward osmosis (FO) desalination. Among three GEs evaluated, di(ethylene glycol) n-hexyl ether (DEH) was selected as a potential FO draw solute. A DEH-water mixture with a high osmotic pressure could draw fresh water from a high-salt feed solution such as seawater through a semipermeable membrane at around 10 °C. The water-drawn DEH-water mixture was phase-separated into a water-rich phase and a DEH-rich phase at around 30 °C. The water-rich phase with a much reduced osmotic pressure released water into a low-salt solution, and the DEH-rich phase was recovered into the initial DEH-water mixture. The phase separation behaviour, the residual GE concentration in the water-rich phase, the osmotic pressure of the DEH-water mixture, and the osmotic flux between the DEH-water mixture and salt solutions were carefully analysed for FO desalination. The liquid-liquid phase separation of the GE-water mixture driven by the mild temperature change between 10 °C and 30 °C is very attractive for the development of an ideal draw solute for future practical FO desalination.

Pinning of phase separation of aqueous solution of hydroxypropylmethylcellulose by gelation

Science.gov (United States)

Kita, Rio; Kaku, Takeshi; Kubota, Kenji; Dobashi, Toshiaki

1999-08-01

Opalescence of the aqueous solution of hydroxypropylmethylcellulose (HPMC) induced by heating has been studied in terms of the phase diagram and the phase separation dynamics. The cloud point curve and the sol-to-gel transition curve intersected with each other at about 55 °C. Just above the cloud-point curve at which the spinodal curve has its minimum, a ring-like scattering pattern appeared corresponding to the spinodal decomposition. Temporal growth of the scattering function in the course of phase separation was studied by a time-resolved light scattering technique. The gelation pinned the phase separation (spinodal decomposition) of the aqueous HPMC solution.

Direct NMR Monitoring of Phase Separation Behavior of Highly Supersaturated Nifedipine Solution Stabilized with Hypromellose Derivatives.

Science.gov (United States)

Ueda, Keisuke; Higashi, Kenjirou; Moribe, Kunikazu

2017-07-03

We investigated the phase separation behavior and maintenance mechanism of the supersaturated state of poorly water-soluble nifedipine (NIF) in hypromellose (HPMC) derivative solutions. Highly supersaturated NIF formed NIF-rich nanodroplets through phase separation from aqueous solution containing HPMC derivative. Dissolvable NIF concentration in the bulk water phase was limited by the phase separation of NIF from the aqueous solution. HPMC derivatives stabilized the NIF-rich nanodroplets and maintained the NIF supersaturation with phase-separated NIF for several hours. The size of the NIF-rich phase was different depending on the HPMC derivatives dissolved in aqueous solution, although the droplet size had no correlation with the time for which NIF supersaturation was maintained without NIF crystallization. HPMC acetate and HPMC acetate succinate (HPMC-AS) effectively maintained the NIF supersaturation containing phase-separated NIF compared with HPMC. Furthermore, HPMC-AS stabilized NIF supersaturation more effectively in acidic conditions. Solution 1 H NMR measurements of NIF-supersaturated solution revealed that HPMC derivatives distributed into the NIF-rich phase during the phase separation of NIF from the aqueous solution. The hydrophobicity of HPMC derivative strongly affected its distribution into the NIF-rich phase. Moreover, the distribution of HPMC-AS into the NIF-rich phase was promoted at lower pH due to the lower aqueous solubility of HPMC-AS. The distribution of a large amount of HPMC derivatives into NIF-rich phase induced the strong inhibition of NIF crystallization from the NIF-rich phase. Polymer distribution into the drug-rich phase directly monitored by solution NMR technique can be a useful index for the stabilization efficiency of drug-supersaturated solution containing a drug-rich phase.

Glycine phases formed from frozen aqueous solutions: Revisited

Energy Technology Data Exchange (ETDEWEB)

Surovtsev, N. V. [Institute of Automation and Electrometry, Siberian Branch of Russian Academy of Sciences, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Adichtchev, S. V.; Malinovsky, V. K. [Institute of Automation and Electrometry, Siberian Branch of Russian Academy of Sciences, Novosibirsk 630090 (Russian Federation); Ogienko, A. G.; Manakov, A. Yu. [Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Nikolaev Institute of Inorganic Chemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk 630090 (Russian Federation); Drebushchak, V. A. [Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, Novosibirsk 630090 (Russian Federation); Ancharov, A. I.; Boldyreva, E. V. [Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Institute of Solid Chemistry and Mechanochemistry, Siberian Branch of Russian Academy of Sciences, Novosibirsk 630090 (Russian Federation); Yunoshev, A. S. [Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Lavrentiev Institute of Hydrodynamics, Siberian Branch of Russian Academy of Sciences, Novosibirsk 630090 (Russian Federation)

2012-08-14

Glycine phases formed when aqueous solutions were frozen and subsequently heated under different conditions were studied by Raman scattering, x-ray diffraction, and differential scanning calorimetry (DSC) techniques. Crystallization of ice I{sub h} was observed in all the cases. On cooling at the rates of 0.5 K/min and 5 K/min, glassy glycine was formed as an intermediate phase which lived about 1 min or less only, and then transformed into {beta}-polymorph of glycine. Quench cooling of glycine solutions (15% w/w) in liquid nitrogen resulted in the formation of a mixture of crystalline water ice I{sub h} and a glassy glycine, which could be preserved at cryogenic temperatures (80 K) for an indefinitely long time. This mixture remained also quite stable for some time after heating above the cryogenic temperature. Subsequent heating under various conditions resulted in the transformation of the glycine glass into an unknown crystalline phase (glycine 'X-phase') at 209-216 K, which at 218-226 K transformed into {beta}-polymorph of glycine. The 'X-phase' was characterized by Raman spectroscopy; it could be obtained in noticeable amounts using a special preparation technique and tentatively characterized by x-ray powder diffraction (P2, a= 6.648 A, b= 25.867 A, c= 5.610 A, {beta}= 113.12 Masculine-Ordinal-Indicator ); the formation of 'X-phase' from the glycine glassy phase and its transformation into {beta}-polymorph were followed by DSC. Raman scattering technique with its power for unambiguous identification of the crystalline and glassy polymorphs without limitation on the crystallite size helped us to follow the phase transformations during quenching, heating, and annealing. The experimental findings are considered in relation to the problem of control of glycine polymorphism on crystallization.

Glycine phases formed from frozen aqueous solutions: Revisited

Science.gov (United States)

Surovtsev, N. V.; Adichtchev, S. V.; Malinovsky, V. K.; Ogienko, A. G.; Drebushchak, V. A.; Manakov, A. Yu.; Ancharov, A. I.; Yunoshev, A. S.; Boldyreva, E. V.

2012-08-01

Glycine phases formed when aqueous solutions were frozen and subsequently heated under different conditions were studied by Raman scattering, x-ray diffraction, and differential scanning calorimetry (DSC) techniques. Crystallization of ice Ih was observed in all the cases. On cooling at the rates of 0.5 K/min and 5 K/min, glassy glycine was formed as an intermediate phase which lived about 1 min or less only, and then transformed into β-polymorph of glycine. Quench cooling of glycine solutions (15% w/w) in liquid nitrogen resulted in the formation of a mixture of crystalline water ice Ih and a glassy glycine, which could be preserved at cryogenic temperatures (80 K) for an indefinitely long time. This mixture remained also quite stable for some time after heating above the cryogenic temperature. Subsequent heating under various conditions resulted in the transformation of the glycine glass into an unknown crystalline phase (glycine "X-phase") at 209-216 K, which at 218-226 K transformed into β-polymorph of glycine. The "X-phase" was characterized by Raman spectroscopy; it could be obtained in noticeable amounts using a special preparation technique and tentatively characterized by x-ray powder diffraction (P2, a = 6.648 Å, b = 25.867 Å, c = 5.610 Å, β = 113.12°); the formation of "X-phase" from the glycine glassy phase and its transformation into β-polymorph were followed by DSC. Raman scattering technique with its power for unambiguous identification of the crystalline and glassy polymorphs without limitation on the crystallite size helped us to follow the phase transformations during quenching, heating, and annealing. The experimental findings are considered in relation to the problem of control of glycine polymorphism on crystallization.

Hybrid vapor phase-solution phase growth techniques for improved CZT(S,Se) photovoltaic device performance

Energy Technology Data Exchange (ETDEWEB)

Chang, Liang-Yi; Gershon, Talia S.; Haight, Richard A.; Lee, Yun Seog

2016-12-27

A hybrid vapor phase-solution phase CZT(S,Se) growth technique is provided. In one aspect, a method of forming a kesterite absorber material on a substrate includes the steps of: depositing a layer of a first kesterite material on the substrate using a vapor phase deposition process, wherein the first kesterite material includes Cu, Zn, Sn, and at least one of S and Se; annealing the first kesterite material to crystallize the first kesterite material; and depositing a layer of a second kesterite material on a side of the first kesterite material opposite the substrate using a solution phase deposition process, wherein the second kesterite material includes Cu, Zn, Sn, and at least one of S and Se, wherein the first kesterite material and the second kesterite material form a multi-layer stack of the absorber material on the substrate. A photovoltaic device and method of formation thereof are also provided.

Clinical Research Environment in India: Challenges and Proposed Solutions.

Science.gov (United States)

Burt, Tal; Sharma, Pooja; Dhillon, Savita; Manchanda, Mukul; Mittal, Sanjay; Trehan, Naresh

2014-11-01

India has compelling need and keen aspirations for indigenous clinical research. Notwithstanding this need and previously reported growth the expected expansion of Indian clinical research has not materialized. We reviewed the scientific literature, lay press reports, and ClinicalTrials.gov data for information and commentary on projections, progress, and impediments associated with clinical trials in India. We also propose targeted solutions to identified challenges. The Indian clinical trial sector grew by (+) 20.3% CAGR (compound annual growth rate) between 2005 and 2010 and contracted by (-) 14.6% CAGR between 2010 and 2013. Phase-1 trials grew by (+) 43.5% CAGR from 2005-2013, phase-2 trials grew by (+) 19.8% CAGR from 2005-2009 and contracted by (-) 12.6% CAGR from 2009-2013, and phase-3 trials grew by (+) 13.0% CAGR from 2005-2010 and contracted by (-) 28.8% CAGR from 2010-2013. This was associated with a slowing of the regulatory approval process, increased media coverage and activist engagement, and accelerated development of regulatory guidelines and recuperative initiatives. We propose the following as potential targets for restorative interventions: Regulatory overhaul (leadership and enforcement of regulations, resolution of ambiguity in regulations, staffing, training, guidelines, and ethical principles [e.g., compensation]).Education and training of research professionals, clinicians, and regulators.Public awareness and empowerment. After a peak in 2009-2010, the clinical research sector in India appears to be experiencing a contraction. There are indications of challenges in regulatory enforcement of guidelines; training of clinical research professionals; and awareness, participation, partnership, and the general image amongst the non-professional media and public. Preventative and corrective principles and interventions are outlined with the goal of realizing the clinical research potential in India.

Small Business Innovation Research: Abstracts of Phase 1 awards, 1994

Energy Technology Data Exchange (ETDEWEB)

1994-12-31

The Small Business Innovation Research (SBIR) program enables DOE to obtain effective, innovative solutions to important problems through the private sector, which has a commercial incentive to pursue the resulting technology and bring it to the marketplace. The growing number of awardees, many of them started in business in response to SBIR solicitations, is becoming a significant resource for the solution of high risk, high technology problems for the Department. As detailed here, this publication describes the technical efforts for SBIR Phase 1 awards in 1994. It is intended for the educated layman, and may be of particular interest to potential investors who wish to get in on the ground floor of exciting opportunities. Contained in this booklet are abstracts of the Phase 1 awards made in FY 1994 under the DOE SBIR program. The 212 Phase 1 projects described here were selected in a highly competitive process from a total of 2,276 grant applications received in response to the 1994 DOE annual SBIR Solicitation. The selections for awards were made on scientific and technical merit, as judged against the specific criteria listed in the Solicitation. Conclusions were reached on the basis of detailed reports returned by reviewers drawn from DOE laboratories, universities, private industry, and government. (Any discrepancies noted in prior DOE releases naming the firms selected for awards are due either to the firm changing its name after the award selection or to the firm not proceeding to a signed grant.) It is expected that between one-third and one-half of the Phase 1 projects will be continued into Phase 2. The work described in the abstracts is novel, high-risk research, but the benefits will also be potentially high if the objectives are met. Brief comments on the potential applications are given after each abstract. Individuals and organizations with an interest in the research described are encouraged to contact the appropriate small business directly.

First-principles study of ternary fcc solution phases from special quasirandom structures

International Nuclear Information System (INIS)

Shin Dongwon; Wang Yi; Liu Zikui; Walle, Axel van de

2007-01-01

In the present work, ternary special quasirandom structures (SQSs) for a fcc solid solution phase are generated at different compositions, x A =x B =x C =(1/3) and x A =(1/2), x B =x C =(1/4), whose correlation functions are satisfactorily close to those of a random fcc solution. The generated SQSs are used to calculate the mixing enthalpy of the fcc phase in the Ca-Sr-Yb system. It is observed that first-principles calculations of all the binary and ternary SQSs in the Ca-Sr-Yb system exhibit very small local relaxation. It is concluded that the fcc ternary SQSs can provide valuable information about the mixing behavior of the fcc ternary solid solution phase. The SQSs presented in this work can be widely used to study the behavior of ternary fcc solid solutions

Retention of Halogenated Solutes on Stationary Phases Containing Heavy Atoms

Directory of Open Access Journals (Sweden)

Toshio Miwa

2013-05-01

Full Text Available To examine the effects of weak intermolecular interactions on solid-phase extraction (SPE and chromatographic separation, we synthesized some novel stationary phases with a heavy atom effect layer by immobilizing halogenated aromatic rings and hydroxyl groups onto the surface of a hydrophilic base polymer. Using SPE cartridges packed with the functionalized materials, we found that the heavy atom stationary phases could selectively retain halophenols in organic solvents, such as 1-propanol which blocks the hydrogen bonding, or acetonitrile which blocks the p-p interaction. The extraction efficiency of the materials toward the halophenols depended on the dipole moments of phenoxy groups present as functional groups. On the other hand, the extraction efficiency of solutes toward the functional group depended on their molar refractions, i.e., induced dipole moments. The retention of the solutes to the stationary phase ultimately depended on not only strong intermolecular interactions, but also the effects of weak interactions such as the dispersion force.

Thermodynamically Consistent Algorithms for the Solution of Phase-Field Models

KAUST Repository

Vignal, Philippe

2016-02-11

Phase-field models are emerging as a promising strategy to simulate interfacial phenomena. Rather than tracking interfaces explicitly as done in sharp interface descriptions, these models use a diffuse order parameter to monitor interfaces implicitly. This implicit description, as well as solid physical and mathematical footings, allow phase-field models to overcome problems found by predecessors. Nonetheless, the method has significant drawbacks. The phase-field framework relies on the solution of high-order, nonlinear partial differential equations. Solving these equations entails a considerable computational cost, so finding efficient strategies to handle them is important. Also, standard discretization strategies can many times lead to incorrect solutions. This happens because, for numerical solutions to phase-field equations to be valid, physical conditions such as mass conservation and free energy monotonicity need to be guaranteed. In this work, we focus on the development of thermodynamically consistent algorithms for time integration of phase-field models. The first part of this thesis focuses on an energy-stable numerical strategy developed for the phase-field crystal equation. This model was put forward to model microstructure evolution. The algorithm developed conserves, guarantees energy stability and is second order accurate in time. The second part of the thesis presents two numerical schemes that generalize literature regarding energy-stable methods for conserved and non-conserved phase-field models. The time discretization strategies can conserve mass if needed, are energy-stable, and second order accurate in time. We also develop an adaptive time-stepping strategy, which can be applied to any second-order accurate scheme. This time-adaptive strategy relies on a backward approximation to give an accurate error estimator. The spatial discretization, in both parts, relies on a mixed finite element formulation and isogeometric analysis. The codes are

The growth and tensile deformation behavior of the silver solid solution phase with zinc

International Nuclear Information System (INIS)

Wu, Jiaqi; Lee, Chin C.

2016-01-01

The growth of homogeneous silver solid solution phase with zinc are conducted at two different compositions. X-ray diffraction (XRD) and Scanning electron microscope/Energy dispersive X-ray spectroscopy (SEM/EDX) are carried out for phase identification and chemical composition verification. The mechanical properties of silver solid solution phase with zinc are evaluated by tensile test. The engineering and true stress vs. strain curves are presented and analyzed, with those of pure silver in comparison. According to the experimental results, silver solid solution phase with zinc at both compositions show tempered yield strength, high tensile strength and large uniform strain compared to those of pure silver. Fractography further confirmed the superior ductility of silver solid solution phase with zinc at both compositions. Our preliminary but encouraging results may pave the way for the silver based alloys to be applied in industries such as electronic packaging and structure engineering.

Two cloud-point phenomena in tetrabutylammonium perfluorooctanoate aqueous solutions: anomalous temperature-induced phase and structure transitions.

Science.gov (United States)

Yan, Peng; Huang, Jin; Lu, Run-Chao; Jin, Chen; Xiao, Jin-Xin; Chen, Yong-Ming

2005-03-24

This paper reported the phase behavior and aggregate structure of tetrabutylammonium perfluorooctanoate (TBPFO), determined by differential scanning calorimeter, electrical conductivity, static/dynamic light scattering, and rheology methods. We found that above a certain concentration the TBPFO solution showed anomalous temperature-dependent phase behavior and structure transitions. Such an ionic surfactant solution exhibits two cloud points. When the temperature was increased, the solution turned from a homogeneous-phase to a liquid-liquid two-phase system, then to another homogeneous-phase, and finally to another liquid-liquid two-phase system. In the first homogeneous-phase region, the aggregates of TBPFO were rodlike micelles and the solution was Newtonian fluid. While in the second homogeneous-phase region, the aggregates of TBPFO were large wormlike micelles, and the solution behaved as pseudoplastic fluid that also exhibited viscoelastic behavior. We thought that the first cloud point might be caused by the "bridge" effect of the tetrabutylammonium counterion between the micelles and the second one by the formation of the micellar network.

Insight into black hole phase transition from parametric solutions

Science.gov (United States)

Li, Dandan; Li, Shanshan; Mi, Li-Qin; Li, Zhong-Heng

2017-12-01

We consider the first-order phase transition of a charged anti-de Sitter black hole and introduce a new dimensionless parameter, ω =(Δ S /π Q2)2 . The parametric solutions of the two reduced volumes are obtained. Each volume is described by a piecewise analytic function. The demarcation point is located at ωd=12 (2 √{3 }-3 ). The volume function is smoothly connected at the point. We show that all properties of the coexistence curve can be studied from the two volume functions. In other words, an arbitrary reduced thermodynamic variable of the two coexisting phases is only a function of ω . Some phase diagrams are plotted by using parametric solutions. We find that, when the reduced pressure P ^>P^A (of order 7.4 ×10-4), the first-order phase transition of the black hole is similar to the van der Waals fluid. However, the similarity disappears when P ^≤P^A. At a van der Waals fluidlike stage, the values of the reduced Gibbs function and the reduced density average are equal. At a non-van der Waals fluid stage, the phase diagrams have extraordinarily rich structure. It is worth pointing out that the phase transition is very important for the low-pressure case since the pressure in essence is the cosmological constant, which is normally very small. Moreover, the thermodynamic behaviors as ω →0 are discussed, from which one can easily obtain some critical exponents and amplitudes for small-large black hole phase transitions.

Analytical solution of laminar-laminar stratified two-phase flows with curved interfaces

International Nuclear Information System (INIS)

Brauner, N.; Rovinsky, J.; Maron, D.M.

1995-01-01

The present study represents a complete analytical solution for laminar two-phase flows with curved interfaces. The solution of the Navier-Stokes equations for the two-phases in bipolar coordinates provides the 'flow monograms' describe the relation between the interface curvature and the insitu flow geometry when given the phases flow rates and viscosity ratios. Energy considerations are employed to construct the 'interface monograms', whereby the characteristic interfacial curvature is determined in terms of the phases insitu holdup, pipe diameter, surface tension, fluids/wall adhesion and gravitation. The two monograms are then combined to construct the system 'operational monogram'. The 'operational monogram' enables the determination of the interface configuration, the local flow characteristics, such as velocity profiles, wall and interfacial shear stresses distribution as well as the integral characteristics of the two-phase flow: phases insitu holdup and pressure drop

Analytical solution of laminar-laminar stratified two-phase flows with curved interfaces

Energy Technology Data Exchange (ETDEWEB)

Brauner, N.; Rovinsky, J.; Maron, D.M. [Tel-Aviv Univ. (Israel)

1995-09-01

The present study represents a complete analytical solution for laminar two-phase flows with curved interfaces. The solution of the Navier-Stokes equations for the two-phases in bipolar coordinates provides the `flow monograms` describe the relation between the interface curvature and the insitu flow geometry when given the phases flow rates and viscosity ratios. Energy considerations are employed to construct the `interface monograms`, whereby the characteristic interfacial curvature is determined in terms of the phases insitu holdup, pipe diameter, surface tension, fluids/wall adhesion and gravitation. The two monograms are then combined to construct the system `operational monogram`. The `operational monogram` enables the determination of the interface configuration, the local flow characteristics, such as velocity profiles, wall and interfacial shear stresses distribution as well as the integral characteristics of the two-phase flow: phases insitu holdup and pressure drop.

Phase transitions in solid Kr-CH4 solutions and rotational excitations in phase II

International Nuclear Information System (INIS)

Bagatskii, M.I.; Mashchenko, D.A.; Dudkin, V.V.

2007-01-01

The heat capacity C p of solid Kr-n CH 4 solutions with the CH 4 concentrations n=0.82, 0.86, 0.90 as well as solutions with n=0.90, 0.95 doped with 0.002 O 2 impurity has been investigated under equilibrium vapor pressure over the internal 1-24 K. The (T,n)-phase diagram was refined and the region of two-phase states was determined for Kr-n CH 4 solid solutions. The contribution of the rotational subsystem, C r ot, to the heat capacity of the solutions has been separated. Analysis of C r ot(T) at T 1 and E 2 between the tunnel levels of the A-, T- and A-, E--nuclear-spin species of CH 4 molecules in the orientationally ordered subsystem, and to determine the effective energy gaps E 1 between lowest levels of the A- and T- species. The relations τ(n) and E 1 (n) stem from changes of the effective potential field caused as the replacement of CH 4 molecules by Kr atoms at sites of the ordered sublattices. The effective gaps E L between a group of tunnel levels of the ground-state liberation state and the nearest group of excited levels of the liberation state of the ordered CH 4 molecules in the solutions with n=0.90 (E L =52 K) and 0.95 (E L =55 K) has been estimated

Influence of the extracted solute on the aggregation of malonamide extractant in organic phases: Consequences for phase stability

International Nuclear Information System (INIS)

Berthon, L.; Martinet, L.; Testard, F.; Madic, Ch.; Zem, Th.

2010-01-01

Due to their amphiphilic properties, malonamide molecules in alkane are organized in reverse micelle type aggregates, composed of a polar core formed by the malonamide polar heads and the extracted solutes, and surrounded by a hydrophobic shell made up of the extractant alkyl chains. The aggregates interact with one another through an attractive potential, leading to the formation of a third phase. This occurs with the splitting of the organic phase into a light phase composed mostly of diluent, and a heavy third phase containing highly concentrated extractant and solutes. In this article, we show that the aggregation (monomer concentration, domain of stability, and attractive potential between micelles) greatly depends on the nature of the extracted solute, whereas the size of aggregate (aggregation number) is only slightly influenced by this. We describe the extraction of water, nitric acid, neodymium nitrate and uranyl nitrate. Strongly polarizable species induce consistently large attraction potentials and a small stability domain for the dispersion of nano-droplets in the solvent. Highly polarizable ions such as lanthanides or uranyl induce more long-range attractive interactions than do protons. (authors)

Selectivity of some basic solutes on a poly(methyltetradecylsiloxane)-silica stationary phase.

Science.gov (United States)

Borges, Endler M; Collins, Carol H

2011-11-01

Complex analyses of polar compounds, especially basic ones, require more selective stationary phases. The present paper describes a stationary phase prepared by thermal immobilization of poly(methyltetradecylsiloxane) onto chromatographic silica (PMTDS-SiO(2)). This stationary phase presents hydrophobic and ion-exchange interactions that confer both high retention and unique selectivities for basic solutes. The influence of ion-exchange interactions is confirmed by the increase in retention factors of basic solutes when the mobile-phase pH changes from acidic to neutral and by the decrease in retention factors when the mobile-phase pH changes from neutral to alkaline. The ion-exchange properties of the stationary phase are enriched in neutral mobile phase (pH 7-7.5) using soft Lewis bases such as tricine and tris as buffers but are suppressed in both acidic (pH 2.5-6) and highly alkaline mobile phases (pH≤10). Increasing both temperature and flow rate permits more rapid separations while maintaining the selectivity. The stability of the stationary phase is evaluated with acid, neutral and alkaline mobile phases. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Solution processing of polymer semiconductor: Insulator blends-Tailored optical properties through liquid-liquid phase separation control

KAUST Repository

Hellmann, Christoph; Treat, Neil D.; Scaccabarozzi, Alberto D.; Razzell Hollis, Joseph; Fleischli, Franziska D.; Bannock, James H.; de Mello, John; Michels, Jasper J.; Kim, Ji-Seon; Stingelin, Natalie

2014-01-01

© 2014 Wiley Periodicals, Inc. It has been demonstrated that the 0-0 absorption transition of poly(3-hexylthiophene) (P3HT) in blends with poly(ethylene oxide) (PEO) could be rationally tuned through the control of the liquid-liquid phase separation process during solution deposition. Pronounced J-like aggregation behavior, characteristic for systems of a low exciton band width, was found for blends where the most pronounced liquid-liquid phase separation occurred in solution, leading to domains of P3HT and PEO of high phase purity. Since liquid-liquid phase separation could be readily manipulated either by the solution temperature, solute concentration, or deposition temperature, to name a few parameters, our findings promise the design from the out-set of semiconductor:insulator architectures of pre-defined properties by manipulation of the interaction parameter between the solutes as well as the respective solute:solvent system using classical polymer science principles.

Solution processing of polymer semiconductor: Insulator blends-Tailored optical properties through liquid-liquid phase separation control

KAUST Repository

Hellmann, Christoph

2014-12-17

© 2014 Wiley Periodicals, Inc. It has been demonstrated that the 0-0 absorption transition of poly(3-hexylthiophene) (P3HT) in blends with poly(ethylene oxide) (PEO) could be rationally tuned through the control of the liquid-liquid phase separation process during solution deposition. Pronounced J-like aggregation behavior, characteristic for systems of a low exciton band width, was found for blends where the most pronounced liquid-liquid phase separation occurred in solution, leading to domains of P3HT and PEO of high phase purity. Since liquid-liquid phase separation could be readily manipulated either by the solution temperature, solute concentration, or deposition temperature, to name a few parameters, our findings promise the design from the out-set of semiconductor:insulator architectures of pre-defined properties by manipulation of the interaction parameter between the solutes as well as the respective solute:solvent system using classical polymer science principles.

Synthetic study on cystinyl peptides using solution and solid phase metodology: human IgG1 hinge region

Czech Academy of Sciences Publication Activity Database

Niederhafner, Petr; Gut, Vladimír; Ježek, Jan; Buděšínský, Miloš; Kašička, Václav; Wünsch, Erich; Hlaváček, Jan

2010-01-01

Roč. 39, č. 3 (2010), s. 641-650 ISSN 0939-4451 R&D Projects: GA ČR GA203/03/1362; GA ČR GA203/07/1517 Institutional research plan: CEZ:AV0Z40550506 Keywords : hinge region * immunoglobulin * prion protein * solution synthesis * solid phase synthesis Subject RIV: CC - Organic Chemistry Impact factor: 4.106, year: 2010

Three-Dimensional ZnO Hierarchical Nanostructures: Solution Phase Synthesis and Applications

Directory of Open Access Journals (Sweden)

Xiaoliang Wang

2017-11-01

Full Text Available Zinc oxide (ZnO nanostructures have been studied extensively in the past 20 years due to their novel electronic, photonic, mechanical and electrochemical properties. Recently, more attention has been paid to assemble nanoscale building blocks into three-dimensional (3D complex hierarchical structures, which not only inherit the excellent properties of the single building blocks but also provide potential applications in the bottom-up fabrication of functional devices. This review article focuses on 3D ZnO hierarchical nanostructures, and summarizes major advances in the solution phase synthesis, applications in environment, and electrical/electrochemical devices. We present the principles and growth mechanisms of ZnO nanostructures via different solution methods, with an emphasis on rational control of the morphology and assembly. We then discuss the applications of 3D ZnO hierarchical nanostructures in photocatalysis, field emission, electrochemical sensor, and lithium ion batteries. Throughout the discussion, the relationship between the device performance and the microstructures of 3D ZnO hierarchical nanostructures will be highlighted. This review concludes with a personal perspective on the current challenges and future research.

Thermotropic phase transition in aqueous polymer solutions and gels as studied by .sup.1./sup.H NMR methods

Czech Academy of Sciences Publication Activity Database

Spěváček, Jiří; Hanyková, L.; Starovoytova, L.; Ilavský, Michal

2002-01-01

Roč. 2, č. 3 (2002), s. 36-43 ISSN 1335-8243 R&D Projects: GA AV ČR IAA4050209 Grant - others:GA UK(XC) 164/2001B Institutional research plan: CEZ:AV0Z4050913 Keywords : thermotropic phase transition * collapse * D 2 O solutions and gels Subject RIV: CD - Macromolecular Chemistry

Small Business Innovation Research GRC Phase I, Phase II, and Post-Phase II Opportunity Assessment for 2015

Science.gov (United States)

Nguyen, Hung D.; Steele, Gynelle C.

2016-01-01

This report outlines the 2015 Small Business Innovation Research/Small Business Technology Transfer (SBIR/STTR) Phase I, Phase II, and Post-Phase II opportunity contract award results associated with NASA's Aeronautics Research Mission Directorate (ARMD), Human Exploration and Operations Mission Directorate (HEOMD), Science Mission Directorate (SMD), and Space Technology Mission Directorate (STMD) for NASA Glenn Research Center. The report also highlights the number of Phase I, Phase II, and Post-Phase II contracts awarded by mission directorate. The 2015 Phase I contract awards to companies in Ohio and their corresponding technologies are also discussed.

Tetragonal-cubic phase boundary in nanocrystalline ZrO2-Y2O3 solid solutions synthesized by gel-combustion

International Nuclear Information System (INIS)

Fabregas, Ismael O.; Craievich, Aldo F.; Fantini, Marcia C.A.; Millen, Ricardo P.; Temperini, Marcia L.A.; Lamas, Diego G.

2011-01-01

Research highlights: → Gel-combustion synthesis yields compositionally homogeneous, single-phased ZrO 2 -Y 2 O 3 nanopowders, that exhibit the presence at room temperature of three different phases depending on Y 2 O 3 content, namely two tetragonal forms (t' and t'') and the cubic phase. → Phase identification can be achieved by synchrotron XPD (SXPD) and Raman spectroscopy since the tetragonal forms and the cubic phase can be distinguished by these techniques. → The crystallographic features of ZrO 2 -Y 2 O 3 nanopowders were determined by SXPD. They are similar to those reported by Yashima and coworkers for compositionally homogeneous materials containing larger (micro)crystals. However, the lattice parameters are slightly different and the axial ratios c/a of our t' samples are smaller than those reported by these authors. → Compositional t'/t'' and t''/cubic phase boundaries are located at (9 ± 1) and (10.5 ± 0.5) mol% Y 2 O 3 , respectively. → For the whole series of nanocrystalline ZrO 2 -Y 2 O 3 solid solutions studied in the present work, no evidences of the presence of a mixture of phases - as reported by Yashima and coworkers for microcrystalline solid solutions - were detected. - Abstract: By means of synchrotron X-ray powder diffraction (SXPD) and Raman spectroscopy, we have detected, in a series of nanocrystalline and compositionally homogeneous ZrO 2 -Y 2 O 3 solid solutions, the presence at room temperature of three different phases depending on Y 2 O 3 content, namely two tetragonal forms and the cubic phase. The studied materials, with average crystallite sizes within the range 7-10 nm, were synthesized by a nitrate-citrate gel-combustion process. The crystal structure of these phases was also investigated by SXPD. The results presented here indicate that the studied nanocrystalline ZrO 2 -Y 2 O 3 solid solutions exhibit the same phases reported in the literature for compositionally homogeneous materials containing larger (micro

GaN Bulk Growth and Epitaxy from Ca-Ga-N Solutions, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — This SBIR proposal addresses the liquid phase epitaxy (LPE) of gallium nitride (GaN) films using nitrogen-enriched metal solutions. Growth of GaN from solutions...

A direct comparison of protein structure in the gas and solution phase: the Trp-cage

DEFF Research Database (Denmark)

Patriksson, Alexandra; Adams, Christopher M; Kjeldsen, Frank

2007-01-01

Molecular dynamics simulations of zwitterions of the Trp-cage protein in the gas phase show that the most stable ion in vacuo has preserved the charge locations acquired in solution. A direct comparison of the gas and solution-phase structures reveals that, despite the similarity in charge location...

Numerical simulation of solute trapping phenomena using phase-field solidification model for dilute binary alloys

Directory of Open Access Journals (Sweden)

Henrique Silva Furtado

2009-09-01

Full Text Available Numerical simulation of solute trapping during solidification, using two phase-field model for dilute binary alloys developed by Kim et al. [Phys. Rev. E, 60, 7186 (1999] and Ramirez et al. [Phys. Rev. E, 69, 05167 (2004] is presented here. The simulations on dilute Cu-Ni alloy are in good agreement with one dimensional analytic solution of sharp interface model. Simulation conducted under small solidification velocity using solid-liquid interface thickness (2λ of 8 nanometers reproduced the solute (Cu equilibrium partition coefficient. The spurious numerical solute trapping in solid phase, due to the interface thickness was negligible. A parameter used in analytical solute trapping model was determined by isothermal phase-field simulation of Ni-Cu alloy. Its application to Si-As and Si-Bi alloys reproduced results that agree reasonably well with experimental data. A comparison between the three models of solute trapping (Aziz, Sobolev and Galenko [Phys. Rev. E, 76, 031606 (2007] was performed. It resulted in large differences in predicting the solidification velocity for partition-less solidification, indicating the necessity for new and more acute experimental data.

Solid solution and amorphous phase in Ti–Nb–Ta–Mn systems synthesized by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Aguilar, C., E-mail: claudio.aguilar@usm.cl [Departamento de Ingeniería Metalúrgica y Materiales, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Guzman, P. [Departamento de Ingeniería Metalúrgica y Materiales, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Lascano, S. [Departamento de Ingeniería Mecánica, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Parra, C. [Departamento de Física, Universidad Técnica Federico Santa María, Av. España 1680, Valparaíso (Chile); Bejar, L. [Instituto de Investigaciones Metalúrgicas, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, Morelia C.P. 58000, Michoacán (Mexico); Medina, A. [Facultad de Ingeniería Mecánica, Universidad Michoacana de San Nicolás de Hidalgo, Ciudad Universitaria, C.P. 58000, Michoacán (Mexico); Guzman, D. [Departamento de Metalurgia, Universidad de Atacama, Av. España 485, Copiapó (Chile)

2016-06-15

This work discusses the formation of Ti–30Nb–13Ta–xMn (x: 2, 4 and 6 wt%) solid solution by mechanical alloying using a shaker mill. A solid solution was formed after 15 h of milling and an amorphous phase was formed after 30 h of milling, according to X-ray diffraction results. Disappearance of strongest X-ray diffraction peaks of Nb, Ta and Mn indicated the formation of solid solution, while, X-ray diffraction patterns of powders milled for 30 h showed an amorphous hump with crystalline peaks in the angular range of 35–45° in 2θ. TEM image analysis showed the presence of nanocrystalline intermetallic compounds embedded in an amorphous matrix. Mn{sub 2}Ti, MnTi and NbTi{sub 4} intermetallic compounds were detected and revealed crystallites with size ranging from 3 to 20 nm. The Gibbs free energy for the formation of solid solution and amorphous phase of three ternary systems (Ti–Nb–Ta, Ti–Nb–Mn and Ti–Ta–Mn) was calculated using extended Miedema's model. Experimental and thermodynamic data confirmed that solid solution was first formed in the alloy with 6wt% Mn followed by the formation of an amorphous phase as milling time increases. The presence of Mn promoted the formation of amorphous phase because the atomic radius difference between Mn with Ti, Nb and Ta. - Highlights: • Thermodynamics analysis of extension of solid solution of the Ti–Nb–Ta–Mn system. • Formation of amorphous phase and intermetallic compounds were observed. • Nanocrystalline intermetallic compounds were formed with the sizes between 3 and 20 nm.

Phase relations and Gibbs energies of spinel phases and solid solutions in the system Mg-Rh-O

Energy Technology Data Exchange (ETDEWEB)

Jacob, K.T., E-mail: katob@materials.iisc.ernet.in [Department of Materials Engineering, Indian Institute of Science, Bangalore 560 012 (India); Prusty, Debadutta [Department of Materials Engineering, Indian Institute of Science, Bangalore 560 012 (India); Kale, G.M. [Institute for Materials Research, University of Leeds, Leeds, LS2 9JT (United Kingdom)

2012-02-05

Highlights: Black-Right-Pointing-Pointer Refinement of phase diagram for the system Mg-Rh-O and thermodynamic data for spinel compounds MgRh{sub 2}O{sub 4} and Mg{sub 2}RhO{sub 4} is presented. Black-Right-Pointing-Pointer A solid-state electrochemical cell is used for thermodynamic measurement. Black-Right-Pointing-Pointer An advanced design of the solid-state electrochemical cell incorporating buffer electrodes is deployed to minimize polarization of working electrode. Black-Right-Pointing-Pointer Regular solution model for the spinel solid solution MgRh{sub 2}O{sub 4} - Mg{sub 2}RhO{sub 4} based on ideal mixing of cations on the octahedral site is proposed. Black-Right-Pointing-Pointer Factors responsible for stabilization of tetravalent rhodium in spinel compounds are identified. - Abstract: Pure stoichiometric MgRh{sub 2}O{sub 4} could not be prepared by solid state reaction from an equimolar mixture of MgO and Rh{sub 2}O{sub 3} in air. The spinel phase formed always contained excess of Mg and traces of Rh or Rh{sub 2}O{sub 3}. The spinel phase can be considered as a solid solution of Mg{sub 2}RhO{sub 4} in MgRh{sub 2}O{sub 4}. The compositions of the spinel solid solution in equilibrium with different phases in the ternary system Mg-Rh-O were determined by electron probe microanalysis. The oxygen potential established by the equilibrium between Rh + MgO + Mg{sub 1+x}Rh{sub 2-x}O{sub 4} was measured as a function of temperature using a solid-state cell incorporating yttria-stabilized zirconia as an electrolyte and pure oxygen at 0.1 MPa as the reference electrode. To avoid polarization of the working electrode during the measurements, an improved design of the cell with a buffer electrode was used. The standard Gibbs energies of formation of MgRh{sub 2}O{sub 4} and Mg{sub 2}RhO{sub 4} were deduced from the measured electromotive force (e.m.f.) by invoking a model for the spinel solid solution. The parameters of the model were optimized using the measured

Phase field simulations of ice crystal growth in sugar solutions

NARCIS (Netherlands)

Sman, Van Der R.G.M.

2016-01-01

We present the first model ever, that describes explicitly ice crystal growth in a sugar solution during freezing. This 2-D model uses the phase field method, supplemented with realistic, and predictive theories on the thermodynamics and (diffusion) kinetics of this food system. We have to make

Linking photochemistry in the gas and solution phase: S-H bond fission in p-methylthiophenol following UV photoexcitation.

Science.gov (United States)

Oliver, Thomas A A; Zhang, Yuyuan; Ashfold, Michael N R; Bradforth, Stephen E

2011-01-01

Gas-phase H (Rydberg) atom photofragment translational spectroscopy and solution-phase femtosecond-pump dispersed-probe transient absorption techniques are applied to explore the excited state dynamics of p-methylthiophenol connecting the short time reactive dynamics in the two phases. The molecule is excited at a range of UV wavelengths from 286 to 193 nm. The experiments clearly demonstrate that photoexcitation results in S-H bond fission--both in the gas phase and in ethanol solution-and that the resulting p-methythiophenoxyl radical fragments are formed with significant vibrational excitation. In the gas phase, the recoil anisotropy of the H atom and the vibrational energy disposal in the p-MePhS radical products formed at the longer excitation wavelengths reveal the operation of two excited state dissociation mechanisms. The prompt excited state dissociation motif appears to map into the condensed phase also. In both phases, radicals are produced in both their ground and first excited electronic states; characteristic signatures for both sets of radical products are already apparent in the condensed phase studies after 50 fs. No evidence is seen for either solute ionisation or proton coupled electron transfer--two alternate mechanisms that have been proposed for similar heteroaromatics in solution. Therefore, at least for prompt S-H bond fissions, the direct observation of the dissociation process in solution confirms that the gas phase photofragmentation studies indeed provide important insights into the early time dynamics that transfer to the condensed phase.

Thermodynamic nonequilibrium phase change behavior and thermal properties of biological solutions for cryobiology applications.

Science.gov (United States)

Han, Bumsoo; Bischof, John C

2004-04-01

Understanding the phase change behavior of biomaterials during freezing/thawing including their thermal properties at low temperatures is essential to design and improve cryobiology applications such as cryopreservation and cryosurgery. However, knowledge of phase change behavior and thermal properties of various biomaterials is still incomplete, especially at cryogenic temperatures (solutions--either water-NaCl or phosphate buffered saline (PBS)--with various chemical additives were investigated. The chemical additives studied are glycerol and raffinose as CPAs, an AFP (Type III, molecular weight = 6500), and NaCl as a cryosurgical adjuvant. The phase change behavior was investigated using a differential scanning calorimeter (DSC) and a cryomicroscope. The specific and latent heat of these solutions were also measured with the DSC. The saline solutions have two distinct phase changes--water/ice and eutectic phase changes. During freezing, eutectic solidification of both water-NaCl and PBS are significantly supercooled below their thermodynamic equilibrium eutectic temperatures. However, their melting temperatures are close to thermodynamic equilibrium during thawing. These eutectic phase changes disappear when even a small amount (0.1 M glycerol) of CPA was added, but they are still observed after the addition of an AFP. The specific heats of these solutions are close to that of ice at very low temperatures (< or = -100 degrees C) regardless of the additives, but they increase between -100 degrees C and -30 degrees C with the addition of CPAs. The amount of latent heat, which is evaluated with sample weight, generally decreases with the addition of the additives, but can be normalized to approximately 300 J/g based on the weight of water which participates in the phase change. This illustrates that thermal properties, especially latent heat, of a biomaterial should be evaluated based on the understanding of its phase change behavior. The results of the present

Pattern Formation During Phase Separation of Polymer-Ionic Liquid Co-Solutions

Science.gov (United States)

Meng, Zhiyong; Osuji, Chinedum

2010-03-01

Co-solutions of polystyrene (PS) with a 1-butyl-3-methylimidazolium based ionic liquid (IL) in DMF phase separated into IL-rich and PS-rich domains on solvent evaporation. Over a limited range of polymer molecular weights and substrate temperatures, a variety of striped and cellular or polygonal structures were found on the resulting film surface, as visualized using bright-field and phase-contrast optical microscopy. This effect appears to be due to a Benard-Marangoni instability at the free surface of the liquid film as it undergoes evaporation, setting up convection rolls inside the fluid which become locked in place as the system vitrifies on solvent removal. Differential scanning calorimetry shows that the IL does not significantly plasticize the polymer, suggesting that the viscosity of the polystyrene solution itself controls the formation of this instability.

Numerical method for solution of transient, homogeneous, equilibrium, two-phase flows in one space dimension

International Nuclear Information System (INIS)

Shin, Y.W.; Wiedermann, A.H.

1979-10-01

A solution method is presented for transient, homogeneous, equilibrium, two-phase flows of a single-component fluid in one space dimension. The method combines a direct finite-difference procedure and the method of characteristics. The finite-difference procedure solves the interior points of the computing domain; the boundary information is provided by a separate procedure based on the characteristics theory. The solution procedure for boundary points requires information in addition to the physical boundary conditions. This additional information is obtained by a new procedure involving integration of characteristics in the hodograph plane. Sample problems involving various combinations of basic boundary types are calculated for two-phase water/steam mixtures and single-phase nitrogen gas, and compared with independent method-of-characteristics solutions using very fine characteristic mesh. In all cases, excellent agreement is demonstrated

Properties of solutions of Bloch-type equations for the paraelectric phase of KDP

Energy Technology Data Exchange (ETDEWEB)

Glowacki, M; Paszkiewicz, T [Wroclaw Univ. (Poland). Inst. Fyziki Teoretycznej

1979-10-01

Exact solutions for two sets of Bloch-like equations describing the paraelectric phase of the model of KDP were studied. The general properties of both solutions are the same. However, in numerical calculations they differ significantly. A modification of the decay law connected with the soft mode frequency fluctuations is considered.

Formation of soft magnetic high entropy amorphous alloys composites containing in situ solid solution phase

Science.gov (United States)

Wei, Ran; Sun, Huan; Chen, Chen; Tao, Juan; Li, Fushan

2018-03-01

Fe-Co-Ni-Si-B high entropy amorphous alloys composites (HEAACs), which containing high entropy solid solution phase in amorphous matrix, show good soft magnetic properties and bending ductility even in optimal annealed state, were successfully developed by melt spinning method. The crystallization phase of the HEAACs is solid solution phase with body centered cubic (BCC) structure instead of brittle intermetallic phase. In addition, the BCC phase can transformed into face centered cubic (FCC) phase with temperature rise. Accordingly, Fe-Co-Ni-Si-B high entropy alloys (HEAs) with FCC structure and a small amount of BCC phase was prepared by copper mold casting method. The HEAs exhibit high yield strength (about 1200 MPa) and good plastic strain (about 18%). Meanwhile, soft magnetic characteristics of the HEAs are largely reserved from HEAACs. This work provides a new strategy to overcome the annealing induced brittleness of amorphous alloys and design new advanced materials with excellent comprehensive properties.

A theory of phase separation in asphaltene-micellar solutions

Energy Technology Data Exchange (ETDEWEB)

Pacheco Sanchez, Juan H. [Instituto Mexicano del Petroleo, Mexico D.F. (Mexico)

2001-08-01

A theory of phase separation in micellar solutions of asphaltene in aromatic hydrocarbons was reported in this paper, based on both the approach of the phase behavior of amphiphile/water micelles, and the self-association of asphaltene in aromatic core. Several experimental techniques have been used by different investigators showing the existence of some kind of critical micellar concentration (CMC) on asphaltenes in aromatic solutions. So, at least asphaltene-monomer and asphaltene-micellar phases are experimentally demonstrated facts. These two phases are the main purpose in this report on a theoretical model. Some results show the temperature versus asphaltene concentration phase diagram. The phase diagram is examined against the limited critical micelle concentration data for asphaltenes-in-toluene systems. Such phase diagram is also qualitatively examined against an experimental demonstration of phase separation. The asphaltene-micelle growth depends on the parameter K responsible for the shape and size of it. At the same time, parameter K depends on both the number of asphaltene-monomer associated in the asphaltene-micelle, and the chemical potentials in the interior and in the periphery of the micelle. An expression for getting the number of asphaltene-monomers self-associated in the asphaltene-micelle was obtained. [Spanish] Se reporta una teoria de separacion de fases en soluciones micelares de asfalteno en hidrocarburos aromaticos, basada tanto en la conducta de fase de micelas formadas por anififilos en agua como en la autoasociacion de asfaltenos en nucleos aromaticos. Se han usado diversas tecnicas experimentales por diferentes investigadores que demuestran la existancia de algun tipo de concentracion micelar critica (CMC) de soluciones de asfaltenos en aromaticos. Entonces, al menos las fases de asfalteno-monomerico y de asfalteno-micelar son hechos experimentalmente demostrados. Esta dos fases son el principal proposito de este reporte en un modelo

NMR studies of phase behaviour in polyacrylonitrile solutions

International Nuclear Information System (INIS)

Golightly, J.A.

1998-10-01

The aim of the thesis was to study the phase behaviour of aqueous polyacrylonitrile/NaSCN solutions using a variety of nuclear magnetic resonance techniques. Polyacrylonitrile (PAN) is the basis of the acrylic fibre industry, as such fibres contain at least 85% PAN. Despite this industrial importance, the available literature describing the phase behaviour of PAN in solution is far from comprehensive. Bulk 1 H NMR relaxation measurements were carried out over a wide range of concentrations and temperatures to probe the molecular dynamics of the PAN and water molecules. The relaxation data was found to be biexponential decay for all samples, the relative amplitudes of which were shown to be equal to the ratio of PAN protons to water protons. Both species were found to be in the regime of rapid molecular motion. Bulk 1 H NMR self diffusion measurements, using the PFGSTE technique, exhibited a bi-exponential decay of the echo amplitudes. By careful selection of the observation time, Δ, it was possible to independently probe the water and PAN translational diffusion. A background gradient, resulting from inhomogeneities of the magnetic field, complicated the analysis of the data and a novel polynomial least squares fitting procedure was devised to overcome this effect. The measured attenuation of the water diffusion coefficients (D∼10 -6 -10 -5 cm 2 s -1 ) with increasing PAN volume fraction was modelled according to various theories, including free volume and scaling laws. The study of the PAN diffusion coefficient (D∼10 -7 -10 -6 cm 2 s -1 ) was limited by the experimental constraints of the NMR spectrometer. A 1 H NMR one-dimensional imaging technique was used to study the non-solvent induced phase separation (coagulation) of a PAN solution. The time dependence of the measured profiles allowed observation of the coagulation process. A diffusion model was developed to fit the experimental data using a semi-infinite diffusion framework. The fitting parameters

Fissile solution dynamics: Student research

Energy Technology Data Exchange (ETDEWEB)

Hetrick, D.L.

1994-09-01

There are two research projects in criticality safety at the University of Arizona: one in dynamic simulation of hypothetical criticality accidents in fissile solutions, and one in criticality benchmarks using transport theory. We have used the data from nuclear excursions in KEWB, CRAC, and SILENE to help in building models for solution excursions. An equation of state for liquids containing gas bubbles has been developed and coupled to point-reactor dynamics in an attempt to predict fission rate, yield, pressure, and kinetic energy. It appears that radiolytic gas is unimportant until after the first peak, but that it does strongly affect the shape of the subsequent power decrease and also the dynamic pressure.

Formation of secondary phases during deep geological final disposal of research reactor fuel elements. Structure and phase analysis

International Nuclear Information System (INIS)

Neumann, Andreas

2012-01-01

For the assessment of a confident und sustainable final disposal of high level radioactive waste - fuel elements of german research reactors also account for such waste - in suitable, deep geological facilities, processes of the alteration of the disposed of waste and therefore the formation of the corrosion products, i. e. secondary phases must be well understood considering an accident scenario of a potential water inflow. In order to obtain secondary phases non-irradiated research reactor fuel elements (FR-BE) consisting of UAl x -Al were subjected to magnesium chloride rich brine (brine 2, salt repository) and to clay pore solution, respectively and furthermore of the type U 3 Si 2 -Al were solely subjected to magnesium chloride rich brine. Considering environmental aspects of final repositories the test conditions of the corrosion experiments were adjusted in a way that the temperature was kept constant at 90 C and a reducing anaerobic environment was ensured. As major objective of this research secondary phases, obtained from the autoclave experiments after appropriate processing and grain size separation have been identified and quantified. Powder X-ray diffraction (PXRD) and the application of Rietveld refinement methods allowed the identification of the corrosion products and a quantitative assessment of crystalline and amorphous contents. Scanning and transmission electron microscopy were additionally applied as a complementary method for the characterisation of the secondary phases. The qualitative phase analysis of the preprocessed secondary phases of the systems UAl x -Al and U 3 Si 2 -Al in brine 2 shows many similarities. Lesukite - an aluminium chloro hydrate - was observed for the first time considering the given experimental conditions. Further on different layered structures of the LDH type, iron oxyhydroxide and possibly iron chlorides, uncorroded residues of nuclear fuel and elementary iron were identified as well. Depending on preceding

Phase-separation phenomena in solutions of poly(2,6-dimethyl-1,4 phenylene oxide). II. Differential scanning calorimetry of solutions in toluene

NARCIS (Netherlands)

Koenhen, D.M.; Smolders, C.A.

1977-01-01

The phase-separation phenomena observed in solutions of poly(2,6 dimethyl-1,4 phenylene oxide) in toluene have been investigated by differential scanning calorimetry. These measurements supplement the experimental evidence in favor of the concept that the phase transitions observed are

Materials research for passive solar systems: Solid-state phase-change materials

Science.gov (United States)

Benson, D. K.; Webb, J. D.; Burrows, R. W.; McFadden, J. D. O.; Christensen, C.

1985-03-01

A set of solid-state phase-change materials is being evaluated for possible use in passive solar thermal energy storage systems. The most promising materials are organic solid solutions of pentaerythritol (C5H12O4), pentaglycerinve (C5H12O3), and neopentyl glycol (C5H12O2). Solid solution mixtures of these compounds can be tailored so that they exhibit solid-to-solid phase transformations at any desired temperature between 25 C and 188 C, and have latent heats of transformation etween 20 and 70 cal/g. Transformation temperatures, specific heats, and latent heats of transformation have been measured for a number of these materials. Limited cyclic experiments suggest that the solid solutions are stable. These phase-change materials exhibit large amounts of undercooling; however, the addition of certain nucleating agents as particulate dispersions in the solid phase-change material greatly reduces this effect. Computer simulations suggest that the use of an optimized solid-state phase-change material in a Trombe wall could provide better performance than a concrete Trombe wall four times thicker and nine times heavier.

Tetragonal-cubic phase boundary in nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions synthesized by gel-combustion

Energy Technology Data Exchange (ETDEWEB)

Fabregas, Ismael O. [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Craievich, Aldo F.; Fantini, Marcia C.A. [Instituto de Fisica, Universidade de Sao Paulo, Travessa R da Rua do Matao, No. 187, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Millen, Ricardo P.; Temperini, Marcia L.A. [Instituto de Quimica, Universidade de Sao Paulo, Avenida Prof. Lineu Prestes 748, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Lamas, Diego G., E-mail: dlamas@uncoma.edu.ar [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Laboratorio de Caracterizacion de Materiales, Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400, (8300) Neuquen Capital, Prov. de Neuquen (Argentina)

2011-04-21

Research highlights: > Gel-combustion synthesis yields compositionally homogeneous, single-phased ZrO{sub 2}-Y{sub 2}O{sub 3} nanopowders, that exhibit the presence at room temperature of three different phases depending on Y{sub 2}O{sub 3} content, namely two tetragonal forms (t' and t'') and the cubic phase. > Phase identification can be achieved by synchrotron XPD (SXPD) and Raman spectroscopy since the tetragonal forms and the cubic phase can be distinguished by these techniques. > The crystallographic features of ZrO{sub 2}-Y{sub 2}O{sub 3} nanopowders were determined by SXPD. They are similar to those reported by Yashima and coworkers for compositionally homogeneous materials containing larger (micro)crystals. However, the lattice parameters are slightly different and the axial ratios c/a of our t' samples are smaller than those reported by these authors. > Compositional t'/t'' and t''/cubic phase boundaries are located at (9 {+-} 1) and (10.5 {+-} 0.5) mol% Y{sub 2}O{sub 3}, respectively. > For the whole series of nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions studied in the present work, no evidences of the presence of a mixture of phases - as reported by Yashima and coworkers for microcrystalline solid solutions - were detected. - Abstract: By means of synchrotron X-ray powder diffraction (SXPD) and Raman spectroscopy, we have detected, in a series of nanocrystalline and compositionally homogeneous ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions, the presence at room temperature of three different phases depending on Y{sub 2}O{sub 3} content, namely two tetragonal forms and the cubic phase. The studied materials, with average crystallite sizes within the range 7-10 nm, were synthesized by a nitrate-citrate gel-combustion process. The crystal structure of these phases was also investigated by SXPD. The results presented here indicate that the studied nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid

New customizable phased array UT instrument opens door for furthering research and better industrial implementation

International Nuclear Information System (INIS)

Dao, Gavin; Ginzel, Robert

2014-01-01

Phased array UT as an inspection technique in itself continues to gain wide acceptance. However, there is much room for improvement in terms of implementation of Phased Array (PA) technology for every unique NDT application across several industries (e.g. oil and petroleum, nuclear and power generation, steel manufacturing, etc.). Having full control of the phased array instrument and customizing a software solution is necessary for more seamless and efficient inspections, from setting the PA parameters, collecting data and reporting, to the final analysis. NDT researchers and academics also need a flexible and open platform to be able to control various aspects of the phased array process. A high performance instrument with advanced PA features, faster data rates, a smaller form factor, and capability to adapt to specific applications, will be discussed

Travelling-wave amplitudes as solutions of the phase-field crystal equation

Science.gov (United States)

Nizovtseva, I. G.; Galenko, P. K.

2018-01-01

The dynamics of the diffuse interface between liquid and solid states is analysed. The diffuse interface is considered as an envelope of atomic density amplitudes as predicted by the phase-field crystal model (Elder et al. 2004 Phys. Rev. E 70, 051605 (doi:10.1103/PhysRevE.70.051605); Elder et al. 2007 Phys. Rev. B 75, 064107 (doi:10.1103/PhysRevB.75.064107)). The propagation of crystalline amplitudes into metastable liquid is described by the hyperbolic equation of an extended Allen-Cahn type (Galenko & Jou 2005 Phys. Rev. E 71, 046125 (doi:10.1103/PhysRevE.71.046125)) for which the complete set of analytical travelling-wave solutions is obtained by the method (Malfliet & Hereman 1996 Phys. Scr. 15, 563-568 (doi:10.1088/0031-8949/54/6/003); Wazwaz 2004 Appl. Math. Comput. 154, 713-723 (doi:10.1016/S0096-3003(03)00745-8)). The general solution of travelling waves is based on the function of hyperbolic tangent. Together with its set of particular solutions, the general solution is analysed within an example of specific task about the crystal front invading metastable liquid (Galenko et al. 2015 Phys. D 308, 1-10 (doi:10.1016/j.physd.2015.06.002)). The influence of the driving force on the phase-field profile, amplitude velocity and correlation length is investigated for various relaxation times of the gradient flow. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Semiclassical series solution of the generalized phase shift atom--diatom scattering equations

International Nuclear Information System (INIS)

Squire, K.R.; Curtiss, C.F.

1980-01-01

A semiclassical series solution of the previously developed operator form of the generalized phase shift equations describing atom--diatom scattering is presented. This development is based on earlier work which led to a double series in powers of Planck's constant and a scaling parameter of the anisotropic portion of the intermolecular potential. The present solution is similar in that it is a double power series in Planck's constant and in the difference between the spherical radial momentum and a first order approximation. The present series solution avoids difficulties of the previous series associated with the classical turning point

A novel solution-phase route for the synthesis of crystalline silver nanowires

International Nuclear Information System (INIS)

Liu Yang; Chu Ying; Yang Likun; Han Dongxue; Lue Zhongxian

2005-01-01

A unique solution-phase route was devised to synthesize crystal Ag nanowires with high aspect-ratio (8-10 nm in diameter and length up to 10 μm) by the reduction of AgNO 3 with Vitamin C in SDS/ethanol solution. The resultant nanoproducts were characterized by transmission electron microscope (TEM), X-ray diffraction (XRD) and electron diffraction (ED). A soft template mechanism was put forward to interpret the formation of metal Ag nanowires

Travelling Wave Solutions to Stretched Beam's Equation: Phase Portraits Survey

International Nuclear Information System (INIS)

Betchewe, Gambo; Victor, Kuetche Kamgang; Thomas, Bouetou Bouetou; Kofane, Timoleon Crepin

2011-01-01

In this paper, following the phase portraits analysis, we investigate the integrability of a system which physically describes the transverse oscillation of an elastic beam under end-thrust. As a result, we find that this system actually comprises two families of travelling waves: the sub- and super-sonic periodic waves of positive- and negative-definite velocities, respectively, and the localized sub-sonic loop-shaped waves of positive-definite velocity. Expressing the energy-like of this system while depicting its phase portrait dynamics, we show that these multivalued localized travelling waves appear as the boundary solutions to which the periodic travelling waves tend asymptotically. (general)

Solution-Phase Synthesis of Cesium Lead Halide Perovskite Nanowires.

Science.gov (United States)

Zhang, Dandan; Eaton, Samuel W; Yu, Yi; Dou, Letian; Yang, Peidong

2015-07-29

Halide perovskites have attracted much attention over the past 5 years as a promising class of materials for optoelectronic applications. However, compared to hybrid organic-inorganic perovskites, the study of their pure inorganic counterparts, like cesium lead halides (CsPbX3), lags far behind. Here, a catalyst-free, solution-phase synthesis of CsPbX3 nanowires (NWs) is reported. These NWs are single-crystalline, with uniform growth direction, and crystallize in the orthorhombic phase. Both CsPbBr3 and CsPbI3 are photoluminescence active, with composition-dependent temperature and self-trapping behavior. These NWs with a well-defined morphology could serve as an ideal platform for the investigation of fundamental properties and the development of future applications in nanoscale optoelectronic devices based on all-inorganic perovskites.

Research on cloud computing solutions

Directory of Open Access Journals (Sweden)

Liudvikas Kaklauskas

2015-07-01

Full Text Available Cloud computing can be defined as a new style of computing in which dynamically scala-ble and often virtualized resources are provided as a services over the Internet. Advantages of the cloud computing technology include cost savings, high availability, and easy scalability. Voas and Zhang adapted six phases of computing paradigms, from dummy termi-nals/mainframes, to PCs, networking computing, to grid and cloud computing. There are four types of cloud computing: public cloud, private cloud, hybrid cloud and community. The most common and well-known deployment model is Public Cloud. A Private Cloud is suited for sensitive data, where the customer is dependent on a certain degree of security.According to the different types of services offered, cloud computing can be considered to consist of three layers (services models: IaaS (infrastructure as a service, PaaS (platform as a service, SaaS (software as a service. Main cloud computing solutions: web applications, data hosting, virtualization, database clusters and terminal services. The advantage of cloud com-puting is the ability to virtualize and share resources among different applications with the objective for better server utilization and without a clustering solution, a service may fail at the moment the server crashes.DOI: 10.15181/csat.v2i2.914

Fully synchronous solutions and the synchronization phase transition for the finite-N Kuramoto model

Science.gov (United States)

Bronski, Jared C.; DeVille, Lee; Jip Park, Moon

2012-09-01

We present a detailed analysis of the stability of phase-locked solutions to the Kuramoto system of oscillators. We derive an analytical expression counting the dimension of the unstable manifold associated to a given stationary solution. From this we are able to derive a number of consequences, including analytic expressions for the first and last frequency vectors to phase-lock, upper and lower bounds on the probability that a randomly chosen frequency vector will phase-lock, and very sharp results on the large N limit of this model. One of the surprises in this calculation is that for frequencies that are Gaussian distributed, the correct scaling for full synchrony is not the one commonly studied in the literature; rather, there is a logarithmic correction to the scaling which is related to the extremal value statistics of the random frequency vector.

Stability of Naturally Relevant Ternary Phases in the Cu–Sn–S system in Contact with an Aqueous Solution

Directory of Open Access Journals (Sweden)

Andrea Giaccherini

2016-07-01

Full Text Available A relevant research effort is devoted to the synthesis and characterization of phases belonging to the ternary system Cu–Sn–S, mainly for their possible applications in semiconductor technology. Among all ternary phases, kuramite, Cu3SnS4, mohite, Cu2SnS3, and Cu4Sn7S16 have attracted the highest interest. Numerous studies were carried out claiming for the description of new phases in the ternary compositional field. In this study, we revise the existing literature on this ternary system, with a special focus on the phases stable in a temperature range at 25 °C. The only two ternary phases observed in nature are mohite and kuramite. Their occurrence is described as very rare. A numerical modelling of the stable solid phases in contact with a water solution was underwent to define stability relationships of the relevant phases of the system. The numerical modelling of the Eh-pH diagrams was carried out through the phreeqc software with the lnll.dat thermodynamic database. Owing to the complexity of this task, the subsystems Cu–O–H, Sn–O–H, Cu–S–O–H and Sn–S–O–H were firstly considered. The first Pourbaix diagram for the two naturally relevant ternary phases is then proposed.

Advanced Envelope Research for Factory Built Housing, Phase 3. Design Development and Prototyping

Energy Technology Data Exchange (ETDEWEB)

Levy, E. [ARIES Collaborative, New York, NY (United States); Kessler, B. [ARIES Collaborative, New York, NY (United States); Mullens, M. [ARIES Collaborative, New York, NY (United States); Rath, P. [ARIES Collaborative, New York, NY (United States)

2014-01-01

The Advanced Envelope Research effort will provide factory homebuilders with high performance, cost-effective alternative envelope designs. In the near term, these technologies will play a central role in meeting stringent energy code requirements. For manufactured homes, the thermal requirements, last updated by statute in 1994, will move up to the more rigorous IECC 2012 levels in 2013, the requirements of which are consistent with site built and modular housing. This places added urgency on identifying envelope technologies that the industry can implement in the short timeframe. The primary goal of this research is to develop wall designs that meet the thermal requirements based on 2012 IECC standards. Given the affordable nature of manufactured homes, impact on first cost is a major consideration in developing the new envelope technologies. This work is part of a four-phase, multi-year effort. Phase 1 identified seven envelope technologies and provided a preliminary assessment of three selected methods for building high performance wall systems. Phase 2 focused on the development of viable product designs, manufacturing strategies, addressing code and structural issues, and cost analysis of the three selected options. An industry advisory committee helped critique and select the most viable solution to move further in the research -- stud walls with continuous exterior insulation. Phase 3, the subject of the current report, focused on the design development of the selected wall concept and explored variations on the use of exterior foam insulation. The scope also included material selection, manufacturing and cost analysis, and prototyping and testing.

Advanced Envelope Research for Factory Built Housing, Phase 3 -- Design Development and Prototyping

Energy Technology Data Exchange (ETDEWEB)

Levy, E. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Kessler, B. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Mullens, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Rath, P. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

2014-01-01

The Advanced Envelope Research effort will provide factory homebuilders with high performance, cost-effective alternative envelope designs. In the near term, these technologies will play a central role in meeting stringent energy code requirements. For manufactured homes, the thermal requirements, last updated by statute in 1994, will move up to the more rigorous IECC 2012 levels in 2013, the requirements of which are consistent with site built and modular housing. This places added urgency on identifying envelope technologies that the industry can implement in the short timeframe. The primary goal of this research is to develop wall designs that meet the thermal requirements based on 2012 IECC standards. Given the affordable nature of manufactured homes, impact on first cost is a major consideration in developing the new envelope technologies. This work is part of a four-phase, multi-year effort. Phase 1 identified seven envelope technologies and provided a preliminary assessment of three selected methods for building high performance wall systems. Phase 2 focused on the development of viable product designs, manufacturing strategies, addressing code and structural issues, and cost analysis of the three selected options. An industry advisory committee helped critique and select the most viable solution to move further in the research -- stud walls with continuous exterior insulation. Phase 3, the subject of the current report, focused on the design development of the selected wall concept and explored variations on the use of exterior foam insulation. The scope also included material selection, manufacturing and cost analysis, and prototyping and testing.

Theoretical study on phase coexistence in ferroelectric solid solutions near the tricritical point

Energy Technology Data Exchange (ETDEWEB)

Lu, Xiaoyan, E-mail: luxy@hit.edu.cn, E-mail: dzk@psu.edu; Li, Hui [Key Lab of Structures Dynamic Behavior and Control of the Ministry of Education, School of Civil Engineering, Harbin Institute of Technology, Harbin 150001 (China); Zheng, Limei [Condensed Matter Science and Technology Institute, Harbin Institute of Technology, Harbin 150001 (China); Cao, Wenwu [Condensed Matter Science and Technology Institute, Harbin Institute of Technology, Harbin 150001 (China); Department of Mathematics and Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

2015-04-07

Phase coexistence in ferroelectric solid solutions near the tricritical point has been theoretically analyzed by using the Landau-Devonshire theory. Results revealed that different phases having similar potential wells could coexist in a narrow composition range near the tricritical point in the classical Pb(Zr{sub 1−x}Ti{sub x})O{sub 3} system. The potential barrier between potential wells increases with the decrease of temperature. Coexisting phases or different domains of the same phase can produce adaptive strains to maintain atomic coherency at the interfaces or domain walls. Such compatibility strains have influence on the energy potential as well as the stability of relative phases, leading to the appearance of energetically unfavorable monoclinic phases. Those competing and coexisting phases also construct an easy phase transition path with small energy barrier in between, so that very small stimuli can produce large response in compositions near the morphotropic phase boundary, especially near the tricritical point.

Theoretical study on phase coexistence in ferroelectric solid solutions near the tricritical point

International Nuclear Information System (INIS)

Lu, Xiaoyan; Li, Hui; Zheng, Limei; Cao, Wenwu

2015-01-01

Phase coexistence in ferroelectric solid solutions near the tricritical point has been theoretically analyzed by using the Landau-Devonshire theory. Results revealed that different phases having similar potential wells could coexist in a narrow composition range near the tricritical point in the classical Pb(Zr 1−x Ti x )O 3 system. The potential barrier between potential wells increases with the decrease of temperature. Coexisting phases or different domains of the same phase can produce adaptive strains to maintain atomic coherency at the interfaces or domain walls. Such compatibility strains have influence on the energy potential as well as the stability of relative phases, leading to the appearance of energetically unfavorable monoclinic phases. Those competing and coexisting phases also construct an easy phase transition path with small energy barrier in between, so that very small stimuli can produce large response in compositions near the morphotropic phase boundary, especially near the tricritical point

A stationary phase solution for mountain waves with application to mesospheric mountain waves generated by Auckland Island

Science.gov (United States)

Broutman, Dave; Eckermann, Stephen D.; Knight, Harold; Ma, Jun

2017-01-01

A relatively general stationary phase solution is derived for mountain waves from localized topography. It applies to hydrostatic, nonhydrostatic, or anelastic dispersion relations, to arbitrary localized topography, and to arbitrary smooth vertically varying background temperature and vector wind profiles. A simple method is introduced to compute the ray Jacobian that quantifies the effects of horizontal geometrical spreading in the stationary phase solution. The stationary phase solution is applied to mesospheric mountain waves generated by Auckland Island during the Deep Propagating Gravity Wave Experiment. The results are compared to a Fourier solution. The emphasis is on interpretations involving horizontal geometrical spreading. The results show larger horizontal geometrical spreading for nonhydrostatic waves than for hydrostatic waves in the region directly above the island; the dominant effect of horizontal geometrical spreading in the lower ˜30 km of the atmosphere, compared to the effects of refraction and background density variation; and the enhanced geometrical spreading due to directional wind in the approach to a critical layer in the mesosphere.

Phase separation in solution of worm-like micelles: a dilute ? spin-vector model

Science.gov (United States)

Panizza, Pascal; Cristobal, Galder; Curély, Jacques

1998-12-01

We show how the dilute 0953-8984/10/50/006/img2 spin vector model introduced originally by Wheeler and co-workers for describing the polymerization phenomenon in solutions of liquid sulphur and of living polymers may be conveniently adapted for studying phase separation in systems containing long flexible micelles. We draw an isomorphism between the coupling constant appearing in the exchange Hamiltonian and the surfactant energies in the micellar problem. We solve this problem within the mean-field approximation and compare the main results we have obtained with respect to polymer theory and previous theories of phase separation in micellar solutions. We show that the attractive interaction term 0953-8984/10/50/006/img3 between monomers renormalizes the aggregation energy and subsequently the corresponding size distribution. Under these conditions, we observe that the general aspect of the phase diagram in the 0953-8984/10/50/006/img4 plane (where 0953-8984/10/50/006/img5 is the surfactant concentration) is different from previous results. The spinodal line shows a re-entrant behaviour and, at low concentrations, we point out the possibility of specific nucleation phenomena related to the existence of a metastable transition line between a region composed of spherical micelles and another one corresponding to a dilute solution of long flexible micelles.

Supercooling of aqueous dimethylsulfoxide solution at normal and high pressures: Evidence for the coexistence of phase-separated aqueous dimethylsulfoxide solutions of different water structures

Science.gov (United States)

Kanno, H.; Kajiwara, K.; Miyata, K.

2010-05-01

Supercooling behavior of aqueous dimethylsulfoxide (DMSO) solution was investigated as a function of DMSO concentration and at high pressures. A linear relationship was observed for TH (homogeneous ice nucleation temperature) and Tm (melting temperature) for the supercooling of aqueous DMSO solution at normal pressure. Analysis of the DTA (differential thermal analysis) traces for homogeneous ice crystallization in the bottom region of the TH curve for a DMSO solution of R =20 (R: moles of water/moles of DMSO) at high pressures supported the contention that the second critical point (SCP) of liquid water should exist at Pc2=˜200 MPa and at Tc2pressure of SCP, Tc2: temperature of SCP). The presence of two TH peaks for DMSO solutions (R =15, 12, and 10) suggests that phase separation occurs in aqueous DMSO solution (R ≤15) at high pressures and low temperatures (pressure dependence of the two TH curves for DMSO solutions of R =10 and 12 indicates that the two phase-separated components in the DMSO solution of R =10 have different liquid water structures [LDL-like and HDL-like structures (LDL: low-density liquid water, HDL: high-density liquid water)] in the pressure range of 120-230 MPa.

Solid-Phase and Oscillating Solution Crystallization Behavior of (+)- and (-)-N-Methylephedrine.

Science.gov (United States)

Tulashie, Samuel Kofi; Polenske, Daniel; Seidel-Morgenstern, Andreas; Lorenz, Heike

2016-11-01

This work involves the study of the solid-phase and solution crystallization behavior of the N-methylephedrine enantiomers. A systematic investigation of the melt phase diagram of the enantiomeric N-methylephedrine system was performed considering polymorphism. Two monotropically related modifications of the enantiomer were found. Solubilities and the ternary solubility phase diagrams of N-methylephedrine enantiomers in 2 solvents [isopropanol:water, 1:3 (Vol) and (2R, 3R)-diethyl tartrate] were determined in the temperature ranges between 15°C and 25°C, and 25°C and 40°C, respectively. Preferential nucleation and crystallization experiments at higher supersaturation leading to an unusual oscillatory crystallization behavior as well as a successful preferential crystallization experiment at lower supersaturation are presented and discussed. Copyright © 2016. Published by Elsevier Inc.

Retention prediction of highly polar ionizable solutes under gradient conditions on a mixed-mode reversed-phase and weak anion-exchange stationary phase.

Science.gov (United States)

Balkatzopoulou, P; Fasoula, S; Gika, H; Nikitas, P; Pappa-Louisi, A

2015-05-29

In the present work the retention of three highly polar and ionizable solutes - uric acid, nicotinic acid and ascorbic acid - was investigated on a mixed-mode reversed-phase and weak anion-exchange (RP/WAX) stationary phase in buffered aqueous acetonitrile (ACN) mobile phases. A U-shaped retention behavior was observed for all solutes with respect to the eluent organic modifier content studied in a range of 5-95% (v/v). This retention behavior clearly demonstrates the presence of a HILIC-type retention mechanism at ACN-rich hydro-organic eluents and an RP-like retention at aqueous-rich hydro-organic eluents. Hence, this column should be promising for application under both RP and HILIC gradient elution modes. For this reason, a series of programmed elution runs were carried out with increasing (RP) and decreasing (HILIC) organic solvent concentration in the mobile phase. This dual gradient process was successfully modeled by two retention models exhibiting a quadratic or a cubic dependence of the logarithm of the solute retention factor (lnk) upon the organic modifier volume fraction (φ). It was found that both models produced by gradient retention data allow the prediction of solute retention times for both types of programmed elution on the mixed-mode column. Four, in the case of the quadratic model, or five, in the case of the cubic model, initial HILIC- and RP-type gradient runs gave satisfactory retention predictions of any similar kind elution program, even with different flow rate, with an overall error of only 2.5 or 1.7%, respectively. Copyright © 2015 Elsevier B.V. All rights reserved.

Molecular theory of chromatography for blocklike solutes in anisotropic stationary phases and its application

International Nuclear Information System (INIS)

Yan, Chao; Martire, D.E.

1992-01-01

DiMarzio's lattice model is successfully applied to describe the equilibrium partitioning of blocklike molecules between an isotropic mobile phase and an anisotropic stationary phase in various types of fluid chromatography to obtain a retention equation. A linear relationship between the logarithm of the solute distribution coefficient and minimum area is predicted. 44 refs., 8 figs., 2 tabs

Mechanistic analysis of solute transport in an in vitro physiological two-phase dissolution apparatus.

Science.gov (United States)

Mudie, Deanna M; Shi, Yi; Ping, Haili; Gao, Ping; Amidon, Gordon L; Amidon, Gregory E

2012-10-01

In vitro dissolution methodologies that adequately capture the oral bioperformance of solid dosage forms are critical tools needed to aid formulation development. Such methodologies must encompass important physiological parameters and be designed with drug properties in mind. Two-phase dissolution apparatuses, which contain an aqueous phase in which the drug dissolves (representing the dissolution/solubility component) and an organic phase into which the drug partitions (representing the absorption component), have the potential to provide meaningful predictions of in vivo oral bioperformance for some BCS II, and possibly some BCS IV drug products. Before such an apparatus can be evaluated properly, it is important to understand the kinetics of drug substance partitioning from the aqueous to the organic medium. A mass transport analysis was performed of the kinetics of partitioning of drug substance solutions from the aqueous to the organic phase of a two-phase dissolution apparatus. Major assumptions include pseudo-steady-state conditions, a dilute aqueous solution and diffusion-controlled transport. Input parameters can be measured or estimated a priori. This paper presents the theory and derivation of our analysis, compares it with a recent kinetic approach, and demonstrates its effectiveness in predicting in vitro partitioning profiles of three BCS II weak acids in four different in vitro two-phase dissolution apparatuses. Very importantly, the paper discusses how a two-phase apparatus can be scaled to reflect in vivo absorption kinetics and for which drug substances the two-phase dissolution systems may be appropriate tools for measuring oral bioperformance. Copyright © 2012 John Wiley & Sons, Ltd.

An initial research on solute migration model coupled with adsorption of surface complexation in groundwater

International Nuclear Information System (INIS)

Qian Tianwei; Chen Fanrong

2003-01-01

The influence of solution chemical action in groundwater on solute migration has attracted increasing public attention, especially adsorption action occurring on surface of solid phase and liquid phase, which has play a great role in solute migration. There are various interpretations on adsorption mechanism, in which surface complexion is one of successful hypothesis. This paper first establishes a geochemical model based on surface complexion and then coupled it with traditional advection-dispersion model to constitute a solute migration model, which can deal with surface complexion action. The simulated results fit very well with those obtained by the precursors, as compared with a published famous example, which indicates that the model set up by this paper is successful. (authors)

Using three-phase theory-based formative research to explore healthy eating in Australian truck drivers.

Science.gov (United States)

Vayro, Caitlin; Hamilton, Kyra

2016-03-01

In Australia, fruit and vegetable consumption is lower than recommended while discretionary foods (i.e., foods high in fat, sugar, and salt) are eaten in excess. Long-haul truck drivers are a group at risk of unhealthy eating but have received limited attention in the health literature. We aimed to examine long-haul truck drivers eating decisions in order to develop theory-based and empirically-driven health messages to improve their healthy food choices. Drawing on the Theory of Planned Behavior, three-phased formative research was conducted using self-report surveys. Phase 1 (N = 30, Mage = 39.53, SDage = 10.72) identified modal salient beliefs about fruit and vegetable (FV) intake and limiting discretionary choices (DC). There were nine behavioral and seven normative beliefs elicited for both FV and DC; while nine and five control beliefs were elicited for FV and DC, respectively. Phase 2 (N = 148, Mage = 44.23, SDage = 12.08) adopted a prospective design with one week follow-up to examine the predictors of FV and DC intention and behavior. A variety of behavioral and control beliefs were predictive of FV and DC intention and behavior. Normative beliefs were predictive of FV intention and behavior and DC intention only. Phase 3 (N = 20, Mage = 46.9, SDage = 12.85) elicited the reasons why each belief is held/solutions to negative beliefs, that could be used as health messages. In total, 40 reasons/solutions were identified: 26 for FV and 14 for DC. In summary, we found that specific behavioral, normative and control beliefs influenced FV and DC eating decisions. These results have implications for truck driver's health and provide formative research to inform future interventions to improve the food choices of a unique group who are at risk of unhealthy eating behaviors. Copyright © 2015 Elsevier Ltd. All rights reserved.

Metastable Phase Separation and Concomitant Solute Redistribution of Liquid Fe-Cu-Sn Ternary Alloy

International Nuclear Information System (INIS)

Xiao-Mei, Zhang; Wei-Li, Wang; Ying, Ruan; Bing-Bo, Wei

2010-01-01

Liquid Fe-Cu-Sn ternary alloys with lower Sn contents are usually assumed to display a peritectic-type solidification process under equilibrium condition. Here we show that liquid Fe 47.5 Cu 47.5 Sn 5 ternary alloy exhibits a metastable immiscibility gap in the undercooling range of 51–329 K (0.19T L ). Macroscopic phase separation occurs once undercooling exceeds 196 K and causes the formation of a floating Fe-rich zone and a descending Cu-rich zone. Solute redistribution induces the depletion of Sn concentration in the Fe-rich zone and its enrichment in the Cu-rich zone. The primary Fe phase grows dendritically and its growth velocity increases with undercooling until the appearance of notable macrosegregation, but will decrease if undercooling further increases beyond 236 K. The microsegregation degrees of both solutes in Fe and Cu phases vary only slightly with undercooling. (condensed matter: structure, mechanical and thermal properties)

Pointwise asymptotic convergence of solutions for a phase separation model

Czech Academy of Sciences Publication Activity Database

Krejčí, Pavel; Zheng, S.

2006-01-01

Roč. 16, č. 1 (2006), s. 1-18 ISSN 1078-0947 Institutional research plan: CEZ:AV0Z10190503 Keywords : phase-field system * asymptotic phase separation * energy Subject RIV: BA - General Mathematics Impact factor: 1.087, year: 2006 http://aimsciences.org/journals/pdfs.jsp?paperID=1875&mode=full

Barriers and Solutions to Conducting Large International, Interdisciplinary Research Projects

Science.gov (United States)

Pischke, Erin C.; Knowlton, Jessie L.; Phifer, Colin C.; Gutierrez Lopez, Jose; Propato, Tamara S.; Eastmond, Amarella; de Souza, Tatiana Martins; Kuhlberg, Mark; Picasso Risso, Valentin; Veron, Santiago R.; Garcia, Carlos; Chiappe, Marta; Halvorsen, Kathleen E.

2017-12-01

Global environmental problems such as climate change are not bounded by national borders or scientific disciplines, and therefore require international, interdisciplinary teamwork to develop understandings of their causes and solutions. Interdisciplinary scientific work is difficult enough, but these challenges are often magnified when teams also work across national boundaries. The literature on the challenges of interdisciplinary research is extensive. However, research on international, interdisciplinary teams is nearly non-existent. Our objective is to fill this gap by reporting on results from a study of a large interdisciplinary, international National Science Foundation Partnerships for International Research and Education (NSF-PIRE) research project across the Americas. We administered a structured questionnaire to team members about challenges they faced while working together across disciplines and outside of their home countries in Argentina, Brazil, and Mexico. Analysis of the responses indicated five major types of barriers to conducting interdisciplinary, international research: integration, language, fieldwork logistics, personnel and relationships, and time commitment. We discuss the causes and recommended solutions to the most common barriers. Our findings can help other interdisciplinary, international research teams anticipate challenges, and develop effective solutions to minimize the negative impacts of these barriers to their research.

Barriers and Solutions to Conducting Large International, Interdisciplinary Research Projects.

Science.gov (United States)

Pischke, Erin C; Knowlton, Jessie L; Phifer, Colin C; Gutierrez Lopez, Jose; Propato, Tamara S; Eastmond, Amarella; de Souza, Tatiana Martins; Kuhlberg, Mark; Picasso Risso, Valentin; Veron, Santiago R; Garcia, Carlos; Chiappe, Marta; Halvorsen, Kathleen E

2017-12-01

Global environmental problems such as climate change are not bounded by national borders or scientific disciplines, and therefore require international, interdisciplinary teamwork to develop understandings of their causes and solutions. Interdisciplinary scientific work is difficult enough, but these challenges are often magnified when teams also work across national boundaries. The literature on the challenges of interdisciplinary research is extensive. However, research on international, interdisciplinary teams is nearly non-existent. Our objective is to fill this gap by reporting on results from a study of a large interdisciplinary, international National Science Foundation Partnerships for International Research and Education (NSF-PIRE) research project across the Americas. We administered a structured questionnaire to team members about challenges they faced while working together across disciplines and outside of their home countries in Argentina, Brazil, and Mexico. Analysis of the responses indicated five major types of barriers to conducting interdisciplinary, international research: integration, language, fieldwork logistics, personnel and relationships, and time commitment. We discuss the causes and recommended solutions to the most common barriers. Our findings can help other interdisciplinary, international research teams anticipate challenges, and develop effective solutions to minimize the negative impacts of these barriers to their research.

NMR study of temperature-induced phase separation and polymer-solvent interactions in poly(vinyl methyl ether)/D.sub.2./sub.O/ethanol solutions

Czech Academy of Sciences Publication Activity Database

Hanyková, L.; Labuta, J.; Spěváček, Jiří

2006-01-01

Roč. 47, č. 17 (2006), s. 6107-6116 ISSN 0032-3861 Grant - others:GA UK 294/2004/B Institutional research plan: CEZ:AV0Z40500505 Keywords : poly(vinyl methyl ether)/D2O/ ethanol solutions * temperature-induced phase separation * 1H and 13C NMR spectroscopy Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.773, year: 2006

Discrimination of Closely-Spaced Geosynchronous Satellites - Phase Curve Analysis & New Small Business Innovative Research (SBIR) Efforts

Science.gov (United States)

Levan, P.

2010-09-01

Geosynchronous objects appear as unresolved blurs even when observed with the largest ground-based telescopes. Due to the lack of any spatial detail, two or more objects appearing at similar brightness levels within the spectral bandpass they are observed are difficult to distinguish. Observing a changing pattern of such objects from one time epoch to another showcases the deficiencies in associating individual objects before and after the configuration change. This paper explores solutions to this deficiency in the form of spectral (under small business innovative research) and phase curve analyses. The extension of the technique to phase curves proves to be a powerful new capability.

The numerical solution of thawing process in phase change slab using variable space grid technique

Directory of Open Access Journals (Sweden)

Serttikul, C.

2007-09-01

Full Text Available This paper focuses on the numerical analysis of melting process in phase change material which considers the moving boundary as the main parameter. In this study, pure ice slab and saturated porous packed bed are considered as the phase change material. The formulation of partial differential equations is performed consisting heat conduction equations in each phase and moving boundary equation (Stefan equation. The variable space grid method is then applied to these equations. The transient heat conduction equations and the Stefan condition are solved by using the finite difference method. A one-dimensional melting model is then validated against the available analytical solution. The effect of constant temperature heat source on melting rate and location of melting front at various times is studied in detail.It is found that the nonlinearity of melting rate occurs for a short time. The successful comparison with numerical solution and analytical solution should give confidence in the proposed mathematical treatment, and encourage the acceptance of this method as useful tool for exploring practical problems such as forming materials process, ice melting process, food preservation process and tissue preservation process.

Early-Time Solution of the Horizontal Unconfined Aquifer in the Buildup Phase

Science.gov (United States)

Gravanis, Elias; Akylas, Evangelos

2017-10-01

We derive the early-time solution of the Boussinesq equation for the horizontal unconfined aquifer in the buildup phase under constant recharge and zero inflow. The solution is expressed as a power series of a suitable similarity variable, which is constructed so that to satisfy the boundary conditions at both ends of the aquifer, that is, it is a polynomial approximation of the exact solution. The series turns out to be asymptotic and it is regularized by resummation techniques that are used to define divergent series. The outflow rate in this regime is linear in time, and the (dimensionless) coefficient is calculated to eight significant figures. The local error of the series is quantified by its deviation from satisfying the self-similar Boussinesq equation at every point. The local error turns out to be everywhere positive, hence, so is the integrated error, which in turn quantifies the degree of convergence of the series to the exact solution.

Solution and solid-phase halogen and C-H hydrogen bonding to perrhenate.

Science.gov (United States)

Massena, Casey J; Riel, Asia Marie S; Neuhaus, George F; Decato, Daniel A; Berryman, Orion B

2015-01-28

(1)H NMR spectroscopic and X-ray crystallographic investigations of a 1,3-bis(4-ethynyl-3-iodopyridinium)benzene scaffold with perrhenate reveal strong halogen bonding in solution, and bidentate association in the solid state. A nearly isostructural host molecule demonstrates significant C-H hydrogen bonding to perrhenate in the same phases.

Transient phases during crystallization of solution-processed organic thin films

Science.gov (United States)

Wan, Jing; Li, Yang; Ulbrandt, Jeffery; Smilgies, Detlef-M.; Hollin, Jonathan; Whalley, Adam; Headrick, Randall

We report an in-situ study of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) organic semiconductor thin film deposition from solution via hollow pen writing, which exhibits multiple transient phases during crystallization. Under high writing speed (25 mm/s) the films have an isotropic morphology, although the mobilities range up to 3.0 cm2/V.s. To understand the crystallization in this highly non-equilibrium regime, we employ in-situ microbeam grazing incidence wide-angle X-ray scattering combined with optical video microscopy at different deposition temperatures. A sequence of crystallization was observed in which a layered liquid-crystalline (LC) phase of C8-BTBT precedes inter-layer ordering. For films deposited above 80ºC, a transition from LC phase to a transient crystalline state that we denote as Cr1 occurs after a temperature-dependent incubation time, which is consistent with classical nucleation theory. After an additional ~ 0.5s, Cr1 transforms to the final stable structure Cr2. Based on these results, we demonstrate a method to produce large crystalline grain size and high carrier mobility during high-speed processing by controlling the nucleation rate during the transformation from the LC phase. Nsf DMR-1307017, NSF DMR-1332208.

The immiscible aqueous solutions of alkyl phosphates. Study for the purpose of uranium extraction from phosphoric acid solutions

International Nuclear Information System (INIS)

Mauborgne, Bernard

1979-01-01

Systems of immiscible aqueous solutions composed by a phase rich in mineral salt and by another phase almost totally containing an organic salt, have been studied for years, with quaternary ammonium salts with an organic cation. The objective of this research is to study systems symmetric to the previous ones, i.e. with organic anions such as alkyl phosphates, and then to try to understand mechanisms of extraction of metals in these environments. Based on properties of immiscible aqueous solutions, an original three-phase process of liquid-liquid extraction has been developed, and is used to separate uranium in phosphoric acids with better performance than the existing industrial processes [fr

Thermogravimetric analysis of phase transitions in cement compositions mixed by sodium silicate solution

Directory of Open Access Journals (Sweden)

Fedosov Sergey Viktorovich

2014-01-01

Full Text Available This paper presents a study of the capability to modify cement by mechanical activation of sodium silicate water solution. Admixtures or blends of binding agents were employed for modifying concrete properties. The liquid glass is applied to protect from chemically or physically unfavorable environmental impacts, such as acidic medium and high temperature. The sodium silicate is a high-capacity setting accelerator. The increasing of the liquid glass proportion in the mix leads to the degradation of the cement paste plasticity and for this reason it is necessary to reduce the amount of liquid glass in the cement paste. The activation of dilute water solution of sodium silicate into rotary pulsating apparatus directly before tempering of the cement paste is an effective way to decrease mass fraction of liquid glass in the cement paste. The results of the combined influence of liquid glass and mechanical activation on physicochemical processes taking place in cement stone are represented in this research. Thermogravimetric analysis was used in order to study cement blends. Thermogravimetric analysis of modified cement stone assays was performed by thermo analyzer SETARAM TGA 92-24. The results of the analysis of phase transition taking place under high-temperature heating of cement stone modified by the mechanical activation of the water solution of the sodium silicate were introduced. Thermograms of cement stone assays were obtained at different hardening age. The comparison of these thermograms allows us to come to a conclusion on the formation and the retention during long time of a more dense structure of the composite matrix mixed by the mechanical activation of sodium silicate water solution. The relation between the concrete composition and its strength properties was stated. Perhaps, the capability of modified concrete to keep calcium ions in sparingly soluble hydrosilicates leads to the increase in its durability and corrosion resistance.

[Preparation and evaluation of stationary phase of high performance liquid chromatography for the separation of basic solutes].

Science.gov (United States)

Wang, P; Wang, J; Cong, R; Dong, B

1997-05-01

A bonded phase for high performance liquid chromatography (HPLC) has been prepared by the new reaction between silica and silicon ether. The ether was synthesized from alkylchlorosilane and pentane-2,4-dione in the presence of imidazole under inert conditions by using anhydrous tetrahydrofuran as solvent. The bonded phase thus obtained was characterized by elemental analysis, diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and HPLC evaluation. The carbon content was 9.4% and the surface coverage almost attained 3.0micromol/m2 without end-capping. The silanol absorption peaks of the product cannot be observed from the DRIFT spectrum, which revealed that the silanization reaction proceeded thoroughly. The basic solutes, such as aniline, o-toluidine, p-toluidine, N,N-dimethylaniline and pyridine were used as the probe solutes to examine their interaction with the residual silanols on the surface of the products. No buffer or salt was used in the mobile phase for these experiments. In comparison with an acidic solute, such as, phenol, basic aniline eluted in front of phenol, and the ratio of asymmetry of aniline peak to that of the phenol peak was 1.1. Furthermore the relative k' value of p-toluidine to that of o-toluidine was also 1.1. All the results showed that the stationary phase has better quality and reproducibility and can be used for the separation of basic solutes efficiently.

Boost-phase discrimination research activities

Science.gov (United States)

Cooper, David M.; Deiwert, George S.

1989-01-01

Theoretical research in two areas was performed. The aerothermodynamics research focused on the hard-body and rocket plume flows. Analytical real gas models to describe finite rate chemistry were developed and incorporated into the three-dimensional flow codes. New numerical algorithms capable of treating multi-species reacting gas equations and treating flows with large gradients were also developed. The computational chemistry research focused on the determination of spectral radiative intensity factors, transport properties and reaction rates. Ab initio solutions to the Schrodinger equation provided potential energy curves transition moments (radiative probabilities and strengths) and potential energy surfaces. These surfaces were then coupled with classical particle reactive trajectories to compute reaction cross-sections and rates.

The phase equilibria of multicomponent gas hydrate in methanol/ethylene glycol solution based formation water

International Nuclear Information System (INIS)

Xu, Shurui; Fan, Shuanshi; Yao, Haiyuan; Wang, Yanhong; Lang, Xuemei; Lv, Pingping; Fang, Songtian

2017-01-01

Highlights: • The equilibrium data in THI solution based formation water is first investigated. • The 0.55 mass fraction concentration of EG 0.55 mass fraction fills the vacancy of this area. • The testing pressure range from 4.22 MPa to 34.72 MPa was rare in published data. - Abstract: In this paper, the three-phase coexistence points are generated for multicomponent gas hydrate in methanol (MeOH) solution for (0.05, 0.10, 0.15, and 0.35) mass fraction and ethylene glycol (EG) solution for (0.05, 0.10, 0.15, 0.35, 0.40 and 0.55) mass fraction. The phase equilibrium curves of different system were obtained by an isochoric pressure-search method on high pressure apparatus. The phase equilibrium regions of multicomponent gas hydrate were measured using the same composition of natural gas distributed in the South China Sea. And the different concentration solutions were prepared based formation water. The experimental data were measured in a wide range temperature from 267.74 to 298.53 K and a wide range pressure from 4.22 MPa to 34.72 MPa. The results showed that the hydrate phase equilibrium curves shifted to the inhibition region in accordance with the increased inhibitor concentration. In addition, the equilibrium temperature would decrease about 2.7 K when the concentration of MeOH increased 0.05 mass fraction. Besides, the suppression temperature was 1.25 K with the 0.05 mass fraction increase of EG concentration in the range of 0.05 mass fraction to 0.15 mass fraction. While in high EG concentration region, the suppression temperature was 3.3 K with the same increase of EG concentration (0.05 mass fraction).

A parallel solution-adaptive scheme for predicting multi-phase core flows in solid propellant rocket motors

International Nuclear Information System (INIS)

Sachdev, J.S.; Groth, C.P.T.; Gottlieb, J.J.

2003-01-01

The development of a parallel adaptive mesh refinement (AMR) scheme is described for solving the governing equations for multi-phase (gas-particle) core flows in solid propellant rocket motors (SRM). An Eulerian formulation is used to described the coupled motion between the gas and particle phases. A cell-centred upwind finite-volume discretization and the use of limited solution reconstruction, Riemann solver based flux functions for the gas and particle phases, and explicit multi-stage time-stepping allows for high solution accuracy and computational robustness. A Riemann problem is formulated for prescribing boundary data at the burning surface. Efficient and scalable parallel implementations are achieved with domain decomposition on distributed memory multiprocessor architectures. Numerical results are described to demonstrate the capabilities of the approach for predicting SRM core flows. (author)

Fundamental aspects of nucleation and growth in the solution-phase synthesis of germanium nanocrystals

KAUST Repository

Codoluto, Stephen C.; Baumgardner, William J.; Hanrath, Tobias

2010-01-01

Colloidal Ge nanocrystals (NCs) were synthesized via the solution phase reduction of germanium(ii) iodide. We report a systematic investigation of the nanocrystal nucleation and growth as a function of synthesis conditions including the nature

Exact solution to the Coulomb wave using the linearized phase-amplitude method

Directory of Open Access Journals (Sweden)

Shuji Kiyokawa

2015-08-01

Full Text Available The author shows that the amplitude equation from the phase-amplitude method of calculating continuum wave functions can be linearized into a 3rd-order differential equation. Using this linearized equation, in the case of the Coulomb potential, the author also shows that the amplitude function has an analytically exact solution represented by means of an irregular confluent hypergeometric function. Furthermore, it is shown that the exact solution for the Coulomb potential reproduces the wave function for free space expressed by the spherical Bessel function. The amplitude equation for the large component of the Dirac spinor is also shown to be the linearized 3rd-order differential equation.

Operations research problems statements and solutions

CERN Document Server

Poler, Raúl; Díaz-Madroñero, Manuel

2014-01-01

The objective of this book is to provide a valuable compendium of problems as a reference for undergraduate and graduate students, faculty, researchers and practitioners of operations research and management science. These problems can serve as a basis for the development or study of assignments and exams. Also, they can be useful as a guide for the first stage of the model formulation, i.e. the definition of a problem. The book is divided into 11 chapters that address the following topics: Linear programming, integer programming, non linear programming, network modeling, inventory theory, queue theory, tree decision, game theory, dynamic programming and markov processes. Readers are going to find a considerable number of statements of operations research applications for management decision-making. The solutions of these problems are provided in a concise way although all topics start with a more developed resolution. The proposed problems are based on the research experience of the authors in real-world com...

Research for the energy turnaround. Phase transitions actively shape. Contributions

International Nuclear Information System (INIS)

Szczepanski, Petra; Wunschick, Franziska; Martin, Niklas

2015-01-01

The Annual Conference 2014 of the Renewable Energy Research Association was held in Berlin on 6 and 7 November 2014. This book documents the contributions of the conference on research for the energy turnaround, phase transitions actively shape. After an introduction and two contributions to the political framework, the contributions to the economic phases of the energy transition, the phase of the current turn, the phases of social energy revolution, the stages of heat turnaround (Waermewende), and the stages of the mobility turn deal with the stages of development of the energy system. Finally, the Research Association Renewable Energy is briefly presented. [de

Research of calcium oxide hydration in calcium nitrate solutions

Directory of Open Access Journals (Sweden)

M.A. Oliynyk

2016-09-01

Full Text Available Mineral fertilizers are one of the important factors of agriculture intensification and increasing of food products quantity. The volume of fertilizers production and its domestic consumption in Ukraine indicate that nitrogen fertilizer using only comes nearer to the required number of science-based. One of the most widespread artificial fertilizers is the calcium nitrate. Aim: The aim is to study and theoretically substantiate the processes occurring in the preparation of suspensions of calcium hydroxide Са(ОН2 in solution of calcium nitrate Ca(NО32. Materials and Methods: The technical calcium oxide (quicklime DSTU BV.2.7-90-99, solutions of calcium nitrate of 15, 20, 25, 30, 35 and 40% Ca(NО32 concentrations were used in the work. The content of lime in the preparation of a suspension in the solution changed (in terms of calcium oxide CaO from 150 g/dm3 to the maximum possible. Each of these solutions saturated at 40°С in lime to maximum concentration. Suitable for use in these experiments and in the technology of calcium nitrate obtaining are considered the solutions (suspensions that within 12 hours did not lose their mobility (transportability. Results: The experimental results show that increasing of the concentration of calcium nitrate in solution within the range 15...40%, the amount of lime that you can put into the solution without loss of transportability decreases. Further increasing of lime quantity in solutions concentrations causes to its solidifying, loss of mobility (transportability. Calculations showed that in the presence of calcium nitrate the solubility of Са(ОН2 is reduced nearly by order that can lead to the formation of calcium oxide CaO the solid phase Са(ОН2 on the surface, which also can form hydrogen bonds with the components of the solution. As the probability of formation of hydrogen bonds in solutions is high, there is a possibility of formation of clusters.

Solution-mediated phase transformation of haloperidol mesylate in the presence of sodium lauryl sulfate.

Science.gov (United States)

Greco, Kristyn; Bogner, Robin

2011-09-01

Forming a salt is a common way to increase the solubility of a poorly soluble compound. However, the solubility enhancement gained by salt formation may be lost due to solution-mediated phase transformation (SMPT) during dissolution. The SMPT of a salt can occur due to a supersaturated solution near the dissolving surface caused by pH or other solution conditions. In addition to changes in pH, surfactants are also known to affect SMPT. In this study, SMPT of a highly soluble salt, haloperidol mesylate, at pH 7 in the presence of a commonly used surfactant, sodium lauryl sulfate (SLS), was investigated. Dissolution experiments were performed using a flow-through dissolution apparatus with solutions containing various concentrations of SLS. Compacts of haloperidol mesylate were observed during dissolution in the flow-through apparatus using a stereomicroscope. Raman microscopy was used to characterize solids. The dissolution of haloperidol mesylate was significantly influenced by the addition of sodium lauryl sulfate. In conditions where SMPT was expected, the addition of SLS at low concentrations (0.1-0.2 mM) reduced the dissolution of haloperidol mesylate. In solutions containing concentrations of SLS above the critical micelle concentration (CMC) (10-15 mM), the dissolution of haloperidol mesylate increased compared to below the CMC. The solids recovered from solubility experiments of haloperidol mesylate indicated that haloperidol free base precipitated at all concentrations of SLS. Above 5 mM of SLS, Raman microscopy suggested a new form, perhaps the estolate salt. The addition of surfactant in solids that undergo solution-mediated phase transformation can add complexity to the dissolution profiles and conversion.

Solution-phase parallel synthesis of a library of delta(2)-pyrazolines.

Science.gov (United States)

Manyem, Shankar; Sibi, Mukund P; Lushington, Gerald H; Neuenswander, Benjamin; Schoenen, Frank; Aubé, Jeffrey

2007-01-01

A parallel synthesis of a library (80 members) of 2-pyrazolines in solution phase is described. The 2-pyrazoline core was accessed through the [3 + 2] cycloaddition of nitrilimines with enoyl oxazolidinones. The cycloaddition provided two regioisomers, the major product being the C regioisomer. The oxazolidinone moiety was further reduced to the primary alcohol, producing another library of 5-hydroxymethyl-2-pyrazolines. The Lipinski profiles and calculated ADME properties of the compounds are also reported.

Localization of the solution of a one-dimensional one-phase Stefan problem

OpenAIRE

Cortazar, C.; Elgueta, M.; Primicerio, M.

1996-01-01

Studiamo la localizzazione, l'insieme dei punti di blow up ed alcuni aspetti della velocità di propagazione della frontiera libera di soluzioni di un problema di Stefan unidimensionale ad una fase. We study localization, the set of blow up points and some aspects of the speed of the free boundary of solutions of a one-dimensional, one-phase Stefan problem.

Logistics of the research reactor fuel cycle: AREVA solutions

International Nuclear Information System (INIS)

Ohayon, David; Halle, Laurent; Naigeon, Philippe; Falgoux, Jean-Louis; Franck Obadia, Franck; Auziere, Philippe

2005-01-01

The AREVA Group Companies offer comprehensive solutions for the entire fuel cycle of Research Reactors comply with IAEA standards. CERCA and Cogema Logistics have developed a full partnership in the front end cycle. In the field of uranium CERCA and Cogema Logistics have the long term experience of the shipment from Russia, USA to the CERCA plant.. Since 1960, CERCA has manufactured over 300,000 fuel plates and 15,000 fuel elements of more than 70 designs. These fuel elements have been delivered to 40 research reactors in 20 countries. For the Back-End stage, Cogema and Cogema Logistics propose customised solutions and services for international shipments. Cogema Logistics has developed a new generation of packaging to meet the various needs and requirements of the Laboratories and Research Reactors all over the world, and complex regulatory framework. Comprehensive assistance dedicated, services, technical studies, packaging and transport systems are provided by AREVA for every step of research reactor fuel cycle. (author)

Phase transitions of single polymer chains and of polymer solutions: insights from Monte Carlo simulations

International Nuclear Information System (INIS)

Binder, K; Paul, W; Strauch, T; Rampf, F; Ivanov, V; Luettmer-Strathmann, J

2008-01-01

The statistical mechanics of flexible and semiflexible macromolecules is distinct from that of small molecule systems, since the thermodynamic limit can also be approached when the number of (effective) monomers of a single chain (realizable by a polymer solution in the dilute limit) is approaching infinity. One can introduce effective attractive interactions into a simulation model for a single chain such that a swollen coil contracts when the temperature is reduced, until excluded volume interactions are effectively canceled by attractive forces, and the chain conformation becomes almost Gaussian at the theta point. This state corresponds to a tricritical point, as the renormalization group theory shows. Below the theta temperature a fluid globule is predicted (at nonzero concentration then phase separation between dilute and semidilute solutions occurs), while at still lower temperature a transition to a solid phase (crystal or glass) occurs. Monte Carlo simulations have shown, however, that the fluid globule phase may become suppressed, when the range of the effective attractive forces becomes too short, with the result that a direct (ultimately first-order) transition from the swollen coil to the solid occurs. This behavior is analogous to the behavior of colloidal particles with a very short range of attractive forces, where liquid-vapor-type phase separation may be suppressed. Analogous first-order transitions from swollen coils to dense rodlike or toroidal structures occur for semiflexible polymers. Finally, the modifications of the behavior discussed when the polymers are adsorbed at surfaces are also mentioned, and possible relations to wetting behavior of polymer solutions are addressed.

Multiple Multidentate Halogen Bonding in Solution, in the Solid State, and in the (Calculated) Gas Phase.

Science.gov (United States)

Jungbauer, Stefan H; Schindler, Severin; Herdtweck, Eberhardt; Keller, Sandro; Huber, Stefan M

2015-09-21

The binding properties of neutral halogen-bond donors (XB donors) bearing two multidentate Lewis acidic motifs toward halides were investigated. Employing polyfluorinated and polyiodinated terphenyl and quaterphenyl derivatives as anion receptors, we obtained X-ray crystallographic data of the adducts of three structurally related XB donors with tetraalkylammonium chloride, bromide, and iodide. The stability of these XB complexes in solution was determined by isothermal titration calorimetry (ITC), and the results were compared to X-ray analyses as well as to calculated binding patterns in the gas phase. Density functional theory (DFT) calculations on the gas-phase complexes indicated that the experimentally observed distortion of the XB donors during multiple multidentate binding can be reproduced in 1:1 complexes with halides, whereas adducts with two halides show a symmetric binding pattern in the gas phase that is markedly different from the solid state structures. Overall, this study demonstrates the limitations in the transferability of binding data between solid state, solution, and gas phase in the study of complex multidentate XB donors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Magnetic liquid metal two-phase flow research. Phase 1. Final report

International Nuclear Information System (INIS)

Graves, R.D.

1983-04-01

The Phase I research demonstrates the feasibility of the magnetic liquid metal (MLM) two-phase flow concept. A dispersion analysis is presented based on a complete set of two-phase-flow equations augmented to include stresses due to magnetic polarization of the fluid. The analysis shows that the stability of the MLM two-phase flow is determined by the magnetic Mach number, the slip ratio, geometry of the flow relative to the applied magnetic field, and by the voidage dependence of the interfacial forces. Results of a set of experiments concerned with magnetic effects on the dynamics of single bubble motion in an aqueous-based, viscous, conducting magnetic fluid are presented. Predictions in the theoretical literature are qualitatively verified using a bench-top experimental apparatus. In particular, applied magnetic fields are seen to lead to reduced bubble size at fixed generating orifice pressure

Visualizing phase transition behavior of dilute stimuli responsive polymer solutions via Mueller matrix polarimetry.

Science.gov (United States)

Narayanan, Amal; Chandel, Shubham; Ghosh, Nirmalya; De, Priyadarsi

2015-09-15

Probing volume phase transition behavior of superdiluted polymer solutions both micro- and macroscopically still persists as an outstanding challenge. In this regard, we have explored 4 × 4 spectral Mueller matrix measurement and its inverse analysis for excavating the microarchitectural facts about stimuli responsiveness of "smart" polymers. Phase separation behavior of thermoresponsive poly(N-isopropylacrylamide) (PNIPAM) and pH responsive poly(N,N-(dimethylamino)ethyl methacrylate) (PDMAEMA) and their copolymers were analyzed in terms of Mueller matrix derived polarization parameters, namely, depolarization (Δ), diattenuation (d), and linear retardance (δ). The Δ, d, and δ parameters provided useful information on both macro- and microstructural alterations during the phase separation. Additionally, the two step action ((i) breakage of polymer-water hydrogen bonding and (ii) polymer-polymer aggregation) at the molecular microenvironment during the cloud point generation was successfully probed via these parameters. It is demonstrated that, in comparison to the present techniques available for assessing the hydrophobic-hydrophilic switch over of simple stimuli-responsive polymers, Mueller matrix polarimetry offers an important advantage requiring a few hundred times dilute polymer solution (0.01 mg/mL, 1.1-1.4 μM) at a low-volume format.

Phase Behaviour and Miscibility Studies of Collagen/Silk Fibroin Macromolecular System in Dilute Solutions and Solid State.

Science.gov (United States)

Ghaeli, Ima; de Moraes, Mariana A; Beppu, Marisa M; Lewandowska, Katarzyna; Sionkowska, Alina; Ferreira-da-Silva, Frederico; Ferraz, Maria P; Monteiro, Fernando J

2017-08-18

Miscibility is an important issue in biopolymer blends for analysis of the behavior of polymer pairs through the detection of phase separation and improvement of the mechanical and physical properties of the blend. This study presents the formulation of a stable and one-phase mixture of collagen and regenerated silk fibroin (RSF), with the highest miscibility ratio between these two macromolecules, through inducing electrostatic interactions, using salt ions. For this aim, a ternary phase diagram was experimentally built for the mixtures, based on observations of phase behavior of blend solutions with various ratios. The miscibility behavior of the blend solutions in the miscible zones of the phase diagram was confirmed quantitatively by viscosimetric measurements. Assessing the effects of biopolymer mixing ratio and salt ions, before and after dialysis of blend solutions, revealed the importance of ion-specific interactions in the formation of coacervate-based materials containing collagen and RSF blends that can be used in pharmaceutical, drug delivery, and biomedical applications. Moreover, the conformational change of silk fibroin from random coil to beta sheet, in solution and in the final solid films, was detected by circular dichroism (CD) and Fourier transform infrared spectroscopy (FTIR), respectively. Scanning electron microscopy (SEM) exhibited alterations of surface morphology for the biocomposite films with different ratios. Surface contact angle measurement illustrated different hydrophobic properties for the blended film surfaces. Differential scanning calorimetry (DSC) showed that the formation of the beta sheet structure of silk fibroin enhances the thermal stability of the final blend films. Therefore, the novel method presented in this study resulted in the formation of biocomposite films whose physico-chemical properties can be tuned by silk fibroin conformational changes by applying different component mixing ratios.

Solution mining process

International Nuclear Information System (INIS)

Showalter, W.E.

1984-01-01

A solution mining process which may be used for uranium, thorium, vanadium, copper, nickel, molybdenum, rhenium, and selenium is claimed. During a first injection-and-production phase of between 6 months and 5 years, a leaching solution is injected through at least one well into the formation to solubilize the mineral values and form a pregnant liquor. This liquor is recovered through another well. The leaching solution contains sulfuric acid, nitric acid, hydrochloric acid, carbonic acid, an alkali metal carbonate, an alkali metal bicarbonate, ammonium carbonate or ammonium bicarbonate. Subsequently during a first production-only phase of between about 2 weeks and one year, injection of the leaching solution is suspended but pregnant liquor is still recovered. This stage is followed by a second injection-and-production phase of between 6 months and 5 years and a second production-only phase. The mineral values are separated from the pregnant liquor to form a barren liquor. The leaching agent is introduced into this liquor, and the solution is recycled. In a second claim for the solution mining of uranium, dilute carbonic acid is used as the leaching solution. The solution has a pH less than 7 and a bicarbonate ion concentration between about 380 ppm and 1000 ppm. The injection-and-production phase lasts between one and two years and the production only phase takes between one and four months. Carbon dioxide is introduced into the barren liquor to form a dilute carbonic acid solution and the solution is recycled

Application of phase-trafficking methods to natural products research.

Science.gov (United States)

Araya, Juan J; Montenegro, Gloria; Mitscher, Lester A; Timmermann, Barbara N

2010-09-24

A novel simultaneous phase-trafficking approach using spatially separated solid-supported reagents for rapid separation of neutral, basic, and acidic compounds from organic plant extracts with minimum labor is reported. Acidic and basic ion-exchange resins were physically separated into individual sacks ("tea bags") for trapping basic and acidic compounds, respectively, leaving behind in solution neutral components of the natural mixtures. Trapped compounds were then recovered from solid phase by appropriate suspension in acidic or basic solutions. The feasibility of the proposed separation protocol was demonstrated and optimized with an "artificial mixture" of model compounds. In addition, the utility of this methodology was illustrated with the successful separation of the alkaloid skytanthine from Skytanthus acutus Meyen and the main catechins and caffeine from Camellia sinensis L. (Kuntze). This novel approach offers multiple advantages over traditional extraction methods, as it is not labor intensive, makes use of only small quantities of solvents, produces fractions in adequate quantities for biological assays, and can be easily adapted to field conditions for bioprospecting activities.

Study of complex formation of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel

International Nuclear Information System (INIS)

Ismailova, M.M.; Egorova, L.A.; Khamidov, B.O.

1993-01-01

Present article is devoted to study of complex formation of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel. The condition of cobalt in various rate of oxidation in acrylamide aqueous solutions was studied. The concentration conditions of stability of system Co(II)-Co(III) were defined. The composition of coordination compounds of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel was determined.

Modelling of the effect of solute structure and mobile phase pH and composition on the retention of phenoxy acid herbicides in reversed-phase high-performance liquid chromatography

International Nuclear Information System (INIS)

Aschi, Massimiliano; D'Archivio, Angelo Antonio; Mazzeo, Pietro; Pierabella, Mirko; Ruggieri, Fabrizio

2008-01-01

A feed-forward artificial neural network (ANN) learned by error back-propagation is used to generate a retention predictive model for phenoxy acid herbicides in isocratic reversed-phase high-performance liquid chromatography. The investigated solutes (18 compounds), apart from the most common herbicides of this class, include some derivatives of benzoic acid and phenylacetic acid structurally related to phenoxy acids, as a whole covering a pK a range between 2.3 and 4.3. A mixed model in terms of both solute descriptors and eluent attributes is built with the aim of predicting retention in water-acetonitrile mobile phases within a large range of composition (acetonitrile from 30% to 70%, v/v) and acidity (pH of water before mixing with acetonitrile ranging between 2 and 5). The set of input variables consists of solute pK a and quantum chemical molecular descriptors of both the neutral and dissociated form, %v/v of acetonitrile in the mobile phase and pH of aqueous phase before mixing with acetonitrile. After elimination of redundant variables, a nine-dimensional model is identified and its prediction ability is evaluated by external validation based on three solutes not involved in model generation and by cross-validation. A multilinear counterpart in terms of the same descriptors is seen to provide a noticeably poorer retention prediction

Modelling of the effect of solute structure and mobile phase pH and composition on the retention of phenoxy acid herbicides in reversed-phase high-performance liquid chromatography

Energy Technology Data Exchange (ETDEWEB)

Aschi, Massimiliano [Dipartimento di Chimica, Ingegneria Chimica e Materiali, Universita degli Studi di L' Aquila, Via Vetoio, 67010 Coppito, L' Aquila (Italy); D' Archivio, Angelo Antonio [Dipartimento di Chimica, Ingegneria Chimica e Materiali, Universita degli Studi di L' Aquila, Via Vetoio, 67010 Coppito, L' Aquila (Italy)], E-mail: darchivi@univaq.it; Mazzeo, Pietro; Pierabella, Mirko; Ruggieri, Fabrizio [Dipartimento di Chimica, Ingegneria Chimica e Materiali, Universita degli Studi di L' Aquila, Via Vetoio, 67010 Coppito, L' Aquila (Italy)

2008-06-02

A feed-forward artificial neural network (ANN) learned by error back-propagation is used to generate a retention predictive model for phenoxy acid herbicides in isocratic reversed-phase high-performance liquid chromatography. The investigated solutes (18 compounds), apart from the most common herbicides of this class, include some derivatives of benzoic acid and phenylacetic acid structurally related to phenoxy acids, as a whole covering a pK{sub a} range between 2.3 and 4.3. A mixed model in terms of both solute descriptors and eluent attributes is built with the aim of predicting retention in water-acetonitrile mobile phases within a large range of composition (acetonitrile from 30% to 70%, v/v) and acidity (pH of water before mixing with acetonitrile ranging between 2 and 5). The set of input variables consists of solute pK{sub a} and quantum chemical molecular descriptors of both the neutral and dissociated form, %v/v of acetonitrile in the mobile phase and pH of aqueous phase before mixing with acetonitrile. After elimination of redundant variables, a nine-dimensional model is identified and its prediction ability is evaluated by external validation based on three solutes not involved in model generation and by cross-validation. A multilinear counterpart in terms of the same descriptors is seen to provide a noticeably poorer retention prediction.

African Transitional Justice Research Network - Phase II | CRDI ...

International Development Research Centre (IDRC) Digital Library (Canada)

The African Transitional Justice Research Network (ATJRN) aims to strengthen the capacity of African researchers and civil society institutions to conduct effective human rights advocacy through the production of high-quality, locally based and targeted empirical research. Phase I of the project (102862) focused on creating ...

African Transitional Justice Research Network - Phase II | IDRC ...

International Development Research Centre (IDRC) Digital Library (Canada)

The African Transitional Justice Research Network (ATJRN) aims to strengthen the capacity of African researchers and civil society institutions to conduct effective human rights advocacy through the production of high-quality, locally based and targeted empirical research. Phase I of the project (102862) focused on creating ...

Approximate solution of space and time fractional higher order phase field equation

Science.gov (United States)

Shamseldeen, S.

2018-03-01

This paper is concerned with a class of space and time fractional partial differential equation (STFDE) with Riesz derivative in space and Caputo in time. The proposed STFDE is considered as a generalization of a sixth-order partial phase field equation. We describe the application of the optimal homotopy analysis method (OHAM) to obtain an approximate solution for the suggested fractional initial value problem. An averaged-squared residual error function is defined and used to determine the optimal convergence control parameter. Two numerical examples are studied, considering periodic and non-periodic initial conditions, to justify the efficiency and the accuracy of the adopted iterative approach. The dependence of the solution on the order of the fractional derivative in space and time and model parameters is investigated.

Horonobe Underground Research Laboratory project. Synthesis of phase I investigation 2001-2005. Volume 'geoscientific research'

International Nuclear Information System (INIS)

Ota, Kunio; Abe, Hironobu; Kunimaru, Takanori

2011-03-01

The Horonobe Underground Research Laboratory (URL) Project is being pursued by the Japan Atomic Energy Agency (JAEA) to enhance the reliability of relevant disposal technologies through investigations of the deep geological environment within the host sedimentary formations at Horonobe in Hokkaido, northern Japan. The project consists of two major research areas, 'Geoscientific Research' and 'R and D on Geological Disposal', and proceeds in three overlapping phases, 'Phase I: Surface-based investigation', 'Phase II: Construction' and 'Phase III: Operation', over a period of 20 years. The present report summarises the results of the Phase I geoscientific research carried out from March 2001 to March 2005. Integration of the results from different disciplines ensures that the Phase I goals have been successfully achieved and identifies key issues that need to be addressed in Phases II and III. More importantly, efforts are made to summarise as many lessons learnt from the Phase I investigations and other technical achievements as possible to form a 'knowledge base' that will reinforce the technical basis for both implementation and the formulation of safety regulations. Based on experiences of selecting the URL area and site in Horonobe Town, important factors that should be taken into consideration in such selection processes and their rationale are demonstrated. In the course of stepwise surface-based investigations, a number of achievements have been made, which can eventually provide examples of integrated methodologies for characterising the sedimentary formations. The relevant surface-based investigation techniques have thus been further developed. The Horonobe URL has been designed based on geoscientific information accumulated during the surface-based investigations and the plans for safe construction and operation of the URL have been defined in a feasible manner. In addition, a variety of environmental measures taken during Phase I have proved to be

Holifield Heavy Ion Research Facility. Phase II

International Nuclear Information System (INIS)

Ball, J.B.; Hudson, E.D.; Lord, R.S.; Johnson, J.W.; Martin, J.A.; McNeilly, G.S.; Milner, W.T.; Mosko, S.W.; Sayer, R.O.; Robinson, R.L.

1979-01-01

The Holifield Heavy Ion Research Facility, with the completion of Phase I in late 1979, will include the Oak Ridge Isochronous Cyclotron (ORIC) and associated research areas, the new 25 MV tandem accelerator with new research areas for tandem beams, and modifications to utilize the ORIC as a booster accelerator. The combination of the tandem and ORIC will provide beam energies of 25 MeV/A for light heavy ions and 6 MeV/A up to A = 160. This paper discusses plans for a Phase II expansion of the facility to include an isochronous cyclotron with superconducting magnet and reconfiguration of the existing research areas and the ORIC vault to handle the higher energy beams from the new cyclotron. The new booster cyclotron is a low-flutter high-spiral design patterned after the MSU K = 800 design, with a central magnetic field of about 5 tesla and an extraction radius of 1 meter. The new beam transport system will incorporate an rf beam-splitter system that will be able to deliver successive beam pulses to two or three experiment areas

All-Inorganic Colloidal Quantum Dot Photovoltaics Employing Solution-Phase Halide Passivation

KAUST Repository

Ning, Zhijun

2012-09-12

A new solution-phase halide passivation strategy to improve the electronic properties of colloidal quantum dot films is reported. We prove experimentally that the approach leads to an order-of-magnitude increase in mobility and a notable reduction in trap state density. We build solar cells having the highest efficiency (6.6%) reported using all-inorganic colloidal quantum dots. The improved photocurrent results from increased efficiency of collection of infrared-generated photocarriers. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

All-Inorganic Colloidal Quantum Dot Photovoltaics Employing Solution-Phase Halide Passivation

KAUST Repository

Ning, Zhijun; Ren, Yuan; Hoogland, Sjoerd; Voznyy, Oleksandr; Levina, Larissa; Stadler, Philipp; Lan, Xinzheng; Zhitomirsky, David; Sargent, Edward H.

2012-01-01

A new solution-phase halide passivation strategy to improve the electronic properties of colloidal quantum dot films is reported. We prove experimentally that the approach leads to an order-of-magnitude increase in mobility and a notable reduction in trap state density. We build solar cells having the highest efficiency (6.6%) reported using all-inorganic colloidal quantum dots. The improved photocurrent results from increased efficiency of collection of infrared-generated photocarriers. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantitative phase analysis in industrial research

International Nuclear Information System (INIS)

Ahmad Monshi

1996-01-01

X-Ray Diffraction (XRD) is the only technique able to identify phase and all the other analytical techniques give information about the elements. Quantitative phase analysis of minerals and industrial products is logically the next step after a qualitative examination and is of great importance in industrial research. Since the application of XRD in industry, early in this century, workers were trying to develop quantitative XRD methods. In this paper some of the important methods are briefly discussed and partly compared. These methods are Internal Standard, Known Additions, Double Dilution, External Standard, Direct Comparison, Diffraction Absorption and Ratio of Slopes

Approximate Analytic Solutions for the Two-Phase Stefan Problem Using the Adomian Decomposition Method

Directory of Open Access Journals (Sweden)

Xiao-Ying Qin

2014-01-01

Full Text Available An Adomian decomposition method (ADM is applied to solve a two-phase Stefan problem that describes the pure metal solidification process. In contrast to traditional analytical methods, ADM avoids complex mathematical derivations and does not require coordinate transformation for elimination of the unknown moving boundary. Based on polynomial approximations for some known and unknown boundary functions, approximate analytic solutions for the model with undetermined coefficients are obtained using ADM. Substitution of these expressions into other equations and boundary conditions of the model generates some function identities with the undetermined coefficients. By determining these coefficients, approximate analytic solutions for the model are obtained. A concrete example of the solution shows that this method can easily be implemented in MATLAB and has a fast convergence rate. This is an efficient method for finding approximate analytic solutions for the Stefan and the inverse Stefan problems.

Maritime Cyber Security University Research: Phase 1

Science.gov (United States)

2016-05-01

i Classification | CG-926 RDC | author | audience | month year Maritime Cyber Security University Research Phase I - Final Report...Appendices Distribution Statement A: Approved for public release; distribution is unlimited. May 2016 Report No. CG-D-07-16 Maritime ...Macesker Executive Director United States Coast Guard Research & Development Center 1 Chelsea Street New London, CT 06320 Maritime Cyber Security

Contribution to the study of the thermodynamic properties of solutions using their phase diagrams (1961); Contribution au calcul des proprietes thermodynamiques des solutions a partir des diagrammes de phases (1961)

Energy Technology Data Exchange (ETDEWEB)

Hagege, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1961-10-15

The thermodynamic study of the behaviour of solutions is of great interest in applied metallurgical problems, since the use of physical phenomena (solubility or volatility, for example) makes it possible to effect chemical reactions which, would not take place if the products formed did not mix. It is interesting to be able to predict this behaviour, at least for binary systems, using a knowledge of the phase diagrams. After showing the theoretical impossibility of resolving this problem without further data, an attempt is made to show what can be calculated from a knowledge of the phase diagrams: on the one hand it is possible to study the coherence between different types of data (calorimetric or equilibrium); on the other hand can be calculated the 'model' parameters, whether they be empirical, or statistically derived, and their validity can be checked. (author) [French] L'etude thermodynamique du comportement des solutions presente un grand interet dans les problemes de metallurgie appliquee puisque l'emploi de phenomenes physiques (solubilite ou volatilisation par exemple) permet de realiser des reactions chimiques qui seraient irrealisables si les produits formes ne se melangeaient pas. Il semble tres interessant de pouvoir prevoir ce comportement, tout au moins dans le cas de systemes binaires, a partir de la connaissance des diagrammes de phases. Apres avoir montre l'impossibilite theorique de resoudre ce probleme sans autres donnees, on essaie de voir ce que permet de calculer la connaissance des diagrammes de phases: d'une part, on peut etudier la coherenc entre divers types de donnees (calorimetrique ou d'equilibre); d'autre-part, on peut calculer les parametres de 'modeles', qu'ils soient empiriques ou a base statistique, et verifier leur validite. (auteur)

Horonobe Underground Research Laboratory project. Synthesis of phase II (construction phase) investigations to a depth of 350 m

International Nuclear Information System (INIS)

Sato, Toshinori; Sasamoto, Hiroshi; Ishii, Eiichi; Matsuoka, Toshiyuki; Hayano, Akira; Miyakawa, Kazuya; Fujita, Tomoo; Tanai, Kenji; Nakayama, Masashi; Takeda, Masaki; Yokota, Hideharu; Aoyagi, Kazuhei; Ohno, Hirokazu; Shigeta, Naotaka; Hanamuro, Takahiro; Ito, Hiroaki

2017-03-01

The Horonobe Underground Research Laboratory (URL) Project is being pursued by the Japan Atomic Energy Agency (JAEA) to enhance the reliability of relevant disposal technologies through investigations of the deep geological environment within the host sedimentary formations at Horonobe, northern Hokkaido. The project consists of two major research areas, 'Geoscientific Research' and 'R and D on Geological Disposal', and proceeds in three overlapping phases, 'Phase I: Surface-based investigation', 'Phase II: Construction' and 'Phase III: Operation', over a period of 20 years. This report summarizes the results of the Phase II investigations carried out from April 2005 to June 2014 to a depth of 350 m. Integration of work from different disciplines into a 'geosynthesis' ensures that the Phase II goals have been successfully achieved and identifies key issues that need to be addressed in the Phase II investigations. Efforts are made to summarize as many lessons learnt from the Phase II investigations and other technical achievements as possible to form a 'knowledge base' that will reinforce the technical basis for both implementation and the formulation of safety regulations. (author)

Formation of metastable and equilibrium phases in the decomposition of the β solid solution in Zr alloys

International Nuclear Information System (INIS)

Zakharova, M.I.; Kirov, S.A.; Khundzhua, A.G.

1978-01-01

The decomposition of the β solid solution is studied in Zr-Nb alloys with adding Mo, Al, V, Fe by the methods of electron microscopy and X-ray diffraction on single crystals. The intermetallic compounds forming during crystallization of the alloys do not influence the precipitation of the ω- and α-phases during ageing. In the local regions of foils prepared by electropolishing after ageing the formation of the metastable f.c.c. phase and in some cases the inverse transformation of two phase state to the parent phase is observed. (author)

Spectral analysis and quantum chemical studies of chair and twist-boat conformers of cycloheximide in gas and solution phases

Science.gov (United States)

Tokatli, A.; Ucun, F.; Sütçü, K.; Osmanoğlu, Y. E.; Osmanoğlu, Ş.

2018-02-01

In this study the conformational behavior of cycloheximide in the gas and solution (CHCl3) phases has theoretically been investigated by spectroscopic and quantum chemical properties using density functional theory (wB97X-D) method with 6-31++G(d,p) basis set, for the first time. The calculated IR results reveal that in the ground state the molecule exits as a mixture of the chair and twist-boat conformers in the gas phase, while the calculated NMR results reveal that it only exits as the chair conformer in the solution phase. In order to obtain the contributions coming from intramolecular interactions to the stability of the conformers in the gas and solution phases, the quantum theory of atoms in molecules (QTAIM), noncovalent interactions (NCI) method, and natural bond orbital analysis (NBO) have been employed. The QTAIM and NCI methods indicated that by intramolecular interactions with bond critical point (BCP) the twist-boat conformer is more stabilized than the chair conformer, while by steric interactions it is more destabilized. Considering that these interactions balance each other, the stabilities of the conformers are understood to be dictated by the van der Waals interactions. The NBO analyses show that the hyperconjugative and steric effects play an important role in the stabilization in the gas and solution phases. Furthermore, to get a better understanding of the chemical behavior of this important antibiotic drug we have evaluated and, commented the global and local reactivity descriptors of the both conformers. Finally, the EPR analysis of γ-irradiated cycloheximide has been done. The comparison of the experimental and calculated data have showed the inducement of a radical structure of (CH2)2ĊCH2 in the molecule. The experimental EPR spectrum has also confirmed that the molecule simultaneously exists in the chair and twist-boat conformers in the solid phase.

Electrochemical processing of nitrate waste solutions. Phase 2, Final report

Energy Technology Data Exchange (ETDEWEB)

Genders, D.; Weinberg, N.; Hartsough, D. [Electrosynthesis Co., Inc., Cheektowaga, NY (US)

1992-10-07

The second phase of research performed at The Electrosynthesis Co., Inc. has demonstrated the successful removal of nitrite and nitrate from a synthetic effluent stream via a direct electrochemical reduction at a cathode. It was shown that direct reduction occurs at good current efficiencies in 1,000 hour studies. The membrane separation process is not readily achievable for the removal of nitrites and nitrates due to poor current efficiencies and membrane stability problems. A direct reduction process was studied at various cathode materials in a flow cell using the complete synthetic mix. Lead was found to be the cathode material of choice, displaying good current efficiencies and stability in short and long term tests under conditions of high temperature and high current density. Several anode materials were studied in both undivided and divided cell configurations. A divided cell configuration was preferable because it would prevent re-oxidation of nitrite by the anode. The technical objective of eliminating electrode fouling and solids formation was achieved although anode materials which had demonstrated good stability in short term divided cell tests corroded in 1,000 hour experiments. The cause for corrosion is thought to be F{sup {minus}} ions from the synthetic mix migrating across the cation exchange membrane and forming HF in the acid anolyte. Other possibilities for anode materials were explored. A membrane separation process was investigated which employs an anion and cation exchange membrane to remove nitrite and nitrate, recovering caustic and nitric acid. Present research has shown poor current efficiencies for nitrite and nitrate transport across the anion exchange membrane due to co-migration of hydroxide anions. Precipitates form within the anion exchange membranes which would eventually result in the failure of the membranes. Electrochemical processing offers a highly promising and viable method for the treatment of nitrate waste solutions.

Phase equilibria in chemical reactive fluid mixtures

International Nuclear Information System (INIS)

Maurer, Gerd

2011-01-01

Downstream processing is a major part of nearly all processes in the chemical industries. Most separation processes in the chemical (and related) industries for fluid mixtures are based on phase equilibrium phenomena. The majority of separation processes can be modelled assuming that chemical reactions are of no (or very minor) importance, i.e., assuming that the overall speciation remains unchanged during a separation process. However, there are also a large number of industrially important processes where the thermodynamic properties are influenced by chemical reactions. The phase equilibrium of chemical reactive mixtures has been a major research area of the author's group over nearly 40 years. In this contribution, three examples from that research are discussed. The first example deals with the vapour phase dimerisation of carboxylic acids and its consequences on phase equilibrium phenomena and phase equilibrium predictions. The second example deals with the solubility of sour gases (e.g., carbon dioxide and sulfur dioxide) in aqueous solutions of ammonia. That topic has been of interest for many years, e.g., in relation with the gasification and liquefaction of coal and, more recently, with the removal of carbon dioxide from flue gas in the 'chilled ammonia process'. The third example deals with phase equilibrium phenomena in aqueous solutions of polyelectrolytes. It deals with the phenomenon of 'counter ion condensation' and methods to model the Gibbs free energy of such solutions.

Solution-phase synthesis of chromium-functionalized single-walled carbon nanotubes

KAUST Repository

Kalinina, Irina V.; Al-Hadeethi, Yas Fadel; Bekyarova, Elena; Zhao, Chao; Wang, Qingxiao; Zhang, Xixiang; Al-Zahrani, Ali; Al-Agel, Faisal Abdulaziz M; Al-Marzouki, Fahad M.; Haddon, Robert C.

2015-01-01

The solution phase reactions of single-walled carbon nanotubes (SWNTs) with Cr(CO)6 and benzene-Cr(CO)3 can lead to the formation of small chromium clusters. The cluster size can be varied from less than 1 nm to about 4 nm by increasing the reaction time. TEM images suggest that the clusters are deposited predominantly on the exterior walls of the nanotubes. TGA analysis was used to obtain the Cr content and carbon to chromium ratio in the Cr-complexed SWNTs. It is suggested that the carbon nanotube benzenoid structure templates the condensation of chromium atoms and facilitates the loss of carbon monoxide leading to well defined metal clusters.

Solution-phase synthesis of chromium-functionalized single-walled carbon nanotubes

KAUST Repository

Kalinina, Irina V.

2015-03-01

The solution phase reactions of single-walled carbon nanotubes (SWNTs) with Cr(CO)6 and benzene-Cr(CO)3 can lead to the formation of small chromium clusters. The cluster size can be varied from less than 1 nm to about 4 nm by increasing the reaction time. TEM images suggest that the clusters are deposited predominantly on the exterior walls of the nanotubes. TGA analysis was used to obtain the Cr content and carbon to chromium ratio in the Cr-complexed SWNTs. It is suggested that the carbon nanotube benzenoid structure templates the condensation of chromium atoms and facilitates the loss of carbon monoxide leading to well defined metal clusters.

Precipitation kinetics and mechanical behavior in a solution treated and aged dual phase stainless steel

Energy Technology Data Exchange (ETDEWEB)

Badji, R., E-mail: riadbadji1@yahoo.fr [Welding and NDT Research Centre (CSC), B.P. 64, Cheraga (Algeria); Kherrouba, N.; Mehdi, B.; Cheniti, B. [Welding and NDT Research Centre (CSC), B.P. 64, Cheraga (Algeria); Bouabdallah, M. [LGSDS – ENP, 10, Avenue Hassan Badi, 16200 El Harrah, Alger (Algeria); Kahloun, C.; Bacroix, B. [LSPM – CNRS, Université Paris 13, 93430 Villetaneuse (France)

2014-12-15

The precipitation kinetics and the mechanical behavior in a solution treated and aged dual phase stainless steel (DSS) are investigated. X-ray diffraction, transmission and scanning electron microscopy techniques are used to characterize the microstructure and to identify its constituents. The precipitation kinetics analysis shows that the ferrite to σ phase transformation follows the modified Johnson Mehl Avrami (JMA) model containing an impingement parameter c that is adjusted to 0.3. Activation energies calculation leads to conclude that interface reaction is the main mechanism that controls the σ phase formation. Detailed analysis of the extent of the different tensile deformation domains reveals the significant contribution of both σ phase particles and dislocation accumulation to the strain hardening of the material. - Highlights: • The precipitation kinetics of the σ phase is affected by both soft and hard impingement phenomena. • Interface reaction is found to be the main mechanism that controls the ferrite to σ phase transformation. • Both σ phase particles and dislocation accumulation contribute to the strain hardening of the dual phase steel studied.

First-principles thermodynamics study of phase stability in inorganic halide perovskite solid solutions

Science.gov (United States)

Bechtel, Jonathon S.; Van der Ven, Anton

2018-04-01

Halide substitution gives rise to a tunable band gap as a function of composition in halide perovskite materials. However, photoinduced phase segregation, observed at room temperature in mixed halide A Pb (IxBr1-x) 3 systems, limits open circuit voltages and decreases photovoltaic device efficiencies. We investigate equilibrium phase stability of orthorhombic P n m a γ -phase CsM (XxY1-x) 3 perovskites where M is Pb or Sn, and X and Y are Br, Cl, or I. Finite-temperature phase diagrams are constructed using a cluster expansion effective Hamiltonian parameterized from first-principles density-functional-theory calculations. Solid solution phases for CsM (IxBr1-x) 3 and CsM (BrxCl1-x) 3 are predicted to be stable well below room temperature while CsM (IxCl1-x) 3 systems have miscibility gaps that extend above 400 K. The height of the miscibility gap correlates with the difference in volume between end members. Also layered ground states are found on the convex hull at x =2 /3 for CsSnBr2Cl ,CsPbI2Br , and CsPbBrCl2. The impact of these ground states on the finite temperature phase diagram is discussed in the context of the experimentally observed photoinduced phase segregation.

Research of Classical and Intelligent Information System Solutions for Criminal Intelligence Analysis

OpenAIRE

Šimović, Vladimir

2001-01-01

The objective of this study is to present research on classical and intelligent information system solutions used in criminal intelligence analysis in Croatian security system theory. The study analyses objective and classical methods of information science, including artificial intelligence and other scientific methods. The intelligence and classical software solutions researched, proposed, and presented in this study were used in developing the integrated information system for the Croatian...

Investigation of electrochemical corrosion behavior in a 3.5 wt.% NaCl solution of boronized dual-phase steel

International Nuclear Information System (INIS)

Kayali, Yusuf; Anaturk, Bilal

2013-01-01

Highlights: ► Corrosion behaviors in a 3.5% NaCl solution of boronized Dual-Phase (DP) steels were examined. ► The martensite ratio increased with an increase in the intercritical annealing temperature. ► The corrosion resistance decreased with increase of the martensite ratio. ► The boride layer increased the corrosion resistance of DP steel 2–3-fold. ► The superior properties of DP steel as well as poor corrosion properties were improved by the boriding process. - Abstract: In this study, corrosion behaviors of boronized and non-boronized dual-phase steel were investigated with Tafel extrapolation and linear polarization methods in a 3.5 wt.% NaCl solution. Microstructure analyses show that the boride layer on the dual-phase steel surface had a flat and saw smooth morphology. It was detected by X-ray diffraction (XRD) analysis that the boride layer contained FeB and Fe 2 B phases. The amount of martensite increases with an increase in the intercritical annealing temperature. Both the amount of martensite and the morphology of the phase constituents have an influence on the corrosion behavior of dual-phase steel. A higher corrosion tendency was observed with an increased amount of martensite. The corrosion resistance of boronized dual-phase steel is higher compared with that of dual-phase steel

Phase-Transition-Induced Pattern Formation Applied to Basic Research on Homeopathy: A Systematic Review.

Science.gov (United States)

Kokornaczyk, Maria Olga; Scherr, Claudia; Bodrova, Natalia Borisovna; Baumgartner, Stephan

2018-05-16

 Methods based on phase-transition-induced pattern formation (PTPF) are increasingly used in medical research. Frequent application fields are medical diagnosis and basic research in homeopathy. Here, we present a systematic review of experimental studies concerning PTPF-based methods applied to homeopathy research. We also aimed at categorizing the PTPF methods included in this review.  Experimental studies were collected from scientific databases (PubMed, Web of Science, Russian eLibrary) and from experts in the research field in question, following the PRISMA guidelines. The studies were rated according to pre-defined scientific criteria.  The review included 15 experimental studies. We identified seven different PTPF methods applied in 12 experimental models. Among these methods, phase-transition was triggered through evaporation, freezing, or solution, and in most cases led to the formation of crystals. First experimental studies concerning the application of PTPF methods in homeopathic research were performed in the first half of the 20th century; however, they were not continued in the following years. Only in the last decade, different research groups re-launched the idea, introducing new experimental approaches and computerized pattern evaluation techniques. The here-identified PTPF methods are for the first time proposed to be classified as one group of methods based on the same basic physical phenomenon.  Although the number of experimental studies in the area is still rather limited, the long tradition in the application of PTPF methods and the dynamics of the present developments point out the high potential of these methods and indicate that they might meet the demand for scientific methods to study potentized preparations. The Faculty of Homeopathy.

Analytic solution to verify code predictions of two-phase flow in a boiling water reactor core channel

International Nuclear Information System (INIS)

Chen, K.F.; Olson, C.A.

1983-01-01

One reliable method that can be used to verify the solution scheme of a computer code is to compare the code prediction to a simplified problem for which an analytic solution can be derived. An analytic solution for the axial pressure drop as a function of the flow was obtained for the simplified problem of homogeneous equilibrium two-phase flow in a vertical, heated channel with a cosine axial heat flux shape. This analytic solution was then used to verify the predictions of the CONDOR computer code, which is used to evaluate the thermal-hydraulic performance of boiling water reactors. The results show excellent agreement between the analytic solution and CONDOR prediction

The Effect of Al and V on Microstructure and Transformation of β Phase during Solution Treatments of Cast Ti-6Al-4V Alloy

Energy Technology Data Exchange (ETDEWEB)

Oh, Seong-Tak; Woo, Kee-Do; Kwak, Seung-Mi [Chonbuk National University, Jeonju (Korea, Republic of); Kim, Jae-Hwang [Korea Institute of Industrial Technology, Jeonju (Korea, Republic of)

2017-03-15

In this study, the effect of α and β those stabilizers on the microstructure and phase transformation of cast Ti-6wt%Al-4wt%V alloy at various solution treatment temperatures was investigated. The dependence of the transformation behavior of the β phase during the solution treatment and its dependence was determined by the partitioning of α and β stabilizing elements. Solution treatments were conducted at 850 ~ 1050 ℃ for 0.5 h and, followed by water quenching. Aging treatments at 550 ℃ for 24 h were then performed. The α' martensite was transformed from the β phase when the concentration of vanadium in the β phase was less than 4.27 at %, while the metastable β phase did not transform to α' martensite when the concentration of vanadium in the β phase was over 5.14 at.

Phase equilibria in a system of aqueous arginine with an octane solution of sulfonic acid

Science.gov (United States)

Kuvaeva, Z. I.; Koval'chuk, I. V.; Vodop'yanova, L. A.; Soldatov, V. S.

2013-05-01

The extraction of arginine (Arg) from aqueous salt (0.1 M NaCl) solutions with a sulfo extractant in a wide range of pH values and amino acid concentrations was studied. The 0.1 M solution of dinonylnaphthalenesulfonic acid (HD) in octane was used as an extractant. The degree of extraction was found to be high at pH 0.8-9.0. This can be explained by the effect of additional intermolecular interactions in the extractant phase involving the guanidine group of Arg.

Solution-phase synthesis of nanomaterials at low temperature

Science.gov (United States)

Zhu, Yongchun; Qian, Yitai

2009-01-01

This paper reviews the solution-phase synthesis of nanoparticles via some routes at low temperatures, such as room temperature route, wave-assisted synthesis (γ-irradiation route and sonochemical route), directly heating at low temperatures, and hydrothermal/solvothermal methods. A number of strategies were developed to control the shape, the size, as well as the dispersion of nanostructures. Using diethylamine or n-butylamine as solvent, semiconductor nanorods were yielded. By the hydrothermal treatment of amorphous colloids, Bi2S3 nanorods and Se nanowires were obtained. CdS nanowires were prepared in the presence of polyacrylamide. ZnS nanowires were obtained using liquid crystal. The polymer poly (vinyl acetate) tubule acted as both nanoreactor and template for the CdSe nanowire growth. Assisted by the surfactant of sodium dodecyl benzenesulfonate (SDBS), nickel nanobelts were synthesized. In addition, Ag nanowires, Te nanotubes and ZnO nanorod arrays could be prepared without adding any additives or templates.

Pupil size stability of the cubic phase mask solution for presbyopia

Science.gov (United States)

Almaguer, Citlalli; Acosta, Eva; Arines, Justo

2018-01-01

Presbyopia correction involves different types of studies such as lens design, clinical study, and the development of objective metrics, such as the visual Strehl ratio. Different contact lens designs have been proposed for presbyopia correction, but performance depends on pupil diameter. We will analyze the potential use of a nonsymmetrical element, a cubic phase mask (CPM) solution, to develop a contact or intraocular lens whose performance is nearly insensitive to changes in pupil diameter. We will show the through focus optical transfer function of the proposed element for different pupil diameters ranging from 3 to 7 mm. Additionally, we will show the images obtained through computation and experiment for a group of eye charts with different visual acuities. Our results show that a CPM shaped as 7.07 μm*(Z33-Z3-3)-0.9 μm Z20 is a good solution for a range of clear vision with a visual acuity of at least 0.1 logMar from 0.4 to 6 m for pupil diameters in the 3- to 7-mm range. Our results appear to be a good starting point for further development and study of this kind of CPM solution for presbyopia.

CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES: Molecular Dynamics Study of Stability of Solid Solutions and Amorphous Phase in the Cu-Al System

Science.gov (United States)

Yang, Bin; Lai, Wen-Sheng

2009-06-01

The relative stability of fcc and bcc solid solutions and amorphous phase with different compositions in the Cu-Al system is studied by molecular dynamics simulations with n-body potentials. For Cu1-xAlx alloys, the calculations show that the fcc solid solution has the lowest energies in the composition region with x 0.72, while the bee solid solution has the lowest energies in the central composition range, in agreement with the ball-milling experiments that a single bcc solid solution with 0.30 < x < 0.70 is obtained. The evolution of structures in solid solutions and amorphous phase is studied by the coordination number (CN) and bond-length analysis so as to unveil the underlying physics. It is found that the energy sequence among three phases is determined by the competition in energy change originating from the bond length and CNs (or the number of bonds).

Robustness of third family solutions for hybrid stars against mixed phase effects

Science.gov (United States)

Ayriyan, A.; Bastian, N.-U.; Blaschke, D.; Grigorian, H.; Maslov, K.; Voskresensky, D. N.

2018-04-01

We investigate the robustness of third family solutions for hybrid compact stars with a quark matter core that correspond to the occurrence of high-mass twin stars against a softening of the phase transition by means of a construction that mimics the effects of pasta structures in the mixed phase. We consider a class of hybrid equations of state that exploits a relativistic mean-field model for the hadronic as well as for the quark matter phase. We present parametrizations that correspond to branches of high-mass twin star pairs with maximum masses between 2.05 M⊙ and 1.48 M⊙ having radius differences between 3.2 and 1.5 km, respectively. When compared to a Maxwell construction with a fixed value of critical pressure Pc, the effect of the mixed phase construction consists in the occurrence of a region of pressures around Pc belonging to the coexistence of hadronic and quark matter phases between the onset pressure at PH and the end of the transition at PQ. The maximum broadening which would still allow mass-twin compact stars is found to be (PQ-PH)max≈Pc for all parametrizations within the present class of models. At least the heavier of the neutron stars of the binary merger GW170817 could have been a member of the third family of hybrid stars. We present the example of another class of hybrid star equations of state for which the appearance of the third family branch is not as robust against mixed phase effects as that of the present work.

Phase transition in Smsub(1-x)Gdsub(x)S and Smsub(1-x)Tmsub(x)S solid solutions under pressure

International Nuclear Information System (INIS)

Kaminskij, V.V.; Stepanov, N.N.; Romanova, M.V.

1985-01-01

Experiments are conducted on studying the effect of the n quantity on Psub(pt) (phase transition pressure) for SmS and systems of solid solutions Smsub(1-x)Gdsub(x)S and Smsub(1-x)Tmsub(x)S with conductivity electron concentrations approximately 10 19 -10 21 cm -3 corresponding to the semiconducting phase of these solutions. The investigated monocrystal samples have been prepared by the method of planar crystallization from the melt, have been chipped off over the cleavage planes [100], their characteristic sizes not exceeding 2 mm. Samples of the Smsub(1-x)Tmsub(x)S system were polycrystalline and they had characteristic dimensions of approximately 3mm. Concentration of conductivity electrons has been determined from measurements of the Hall constant. Hydrostatic compression of the samples has been exercised in a piston high-pressure chamber at T=300 K. The observed electric conductivity jump determined by the standard d.c. compensation technique was a criterion of the presence of the phase transition to the metal state. Dependences of Psub(pt) in SmS base solid solutions with approximately 10 19 -10 21 cm -3 concentration of conductivity electrons have similar tendency in behaviour: a certain increase in the phase transition pressure with n growth and then its drop at n approaching concentrations corresponding to compositions close to critical ones for the semiconductor-metal phase transition in any system of solid solutions. If the first mechanism prevails at small as then further on the second mechanism swelling by a power law with a high index plays the main role

Fourier phasing with phase-uncertain mask

International Nuclear Information System (INIS)

Fannjiang, Albert; Liao, Wenjing

2013-01-01

Fourier phasing is the problem of retrieving Fourier phase information from Fourier intensity data. The standard Fourier phase retrieval (without a mask) is known to have many solutions which cause the standard phasing algorithms to stagnate and produce wrong or inaccurate solutions. In this paper Fourier phase retrieval is carried out with the introduction of a randomly fabricated mask in measurement and reconstruction. Highly probable uniqueness of solution, up to a global phase, was previously proved with exact knowledge of the mask. Here the uniqueness result is extended to the case where only rough information about the mask’s phases is assumed. The exponential probability bound for uniqueness is given in terms of the uncertainty-to-diversity ratio of the unknown mask. New phasing algorithms alternating between the object update and the mask update are systematically tested and demonstrated to have the capability of recovering both the object and the mask (within the object support) simultaneously, consistent with the uniqueness result. Phasing with a phase-uncertain mask is shown to be robust with respect to the correlation in the mask as well as the Gaussian and Poisson noises. (paper)

Kinetics of a new phase formation in supersaturated solid solutions. 1. Dilute one-component systems

International Nuclear Information System (INIS)

Dubinko, V.I.

1991-07-01

A complete set of kinetic equations describing the diffusion decay of supersaturated solutions, as well as the formation of new-phase fluctuations in equilibrium systems, is derived. A novel method of determining forward and backward reaction rates entering the master equation is proposed which does not require the use of any reference cluster size distribution, either the constrained or the true equilibrium one, employed in all modifications of the classical nucleation theory. Instead, this reference distribution can be obtained as an equilibrium solution of the present master equation. The main advantage of this method is the possibility to take into account various factors affecting the diffusion decay, such as the reaction kinetics at the precipitate surfaces and the diffusion kinetics in the mother phase with account of elastic interaction between nucleating species and their clusters. The latter is of a key importance in the irradiation environment considered in the forthcoming second part of the article. (author). 3 refs

Solution of the equations for one-dimensional, two-phase, immiscible flow by geometric methods

Science.gov (United States)

Boronin, Ivan; Shevlyakov, Andrey

2018-03-01

Buckley-Leverett equations describe non viscous, immiscible, two-phase filtration, which is often of interest in modelling of oil production. For many parameters and initial conditions, the solutions of these equations exhibit non-smooth behaviour, namely discontinuities in form of shock waves. In this paper we obtain a novel method for the solution of Buckley-Leverett equations, which is based on geometry of differential equations. This method is fast, accurate, stable, and describes non-smooth phenomena. The main idea of the method is that classic discontinuous solutions correspond to the continuous surfaces in the space of jets - the so-called multi-valued solutions (Bocharov et al., Symmetries and conservation laws for differential equations of mathematical physics. American Mathematical Society, Providence, 1998). A mapping of multi-valued solutions from the jet space onto the plane of the independent variables is constructed. This mapping is not one-to-one, and its singular points form a curve on the plane of the independent variables, which is called the caustic. The real shock occurs at the points close to the caustic and is determined by the Rankine-Hugoniot conditions.

Attractive interactions between reverse aggregates and phase separation in concentrated malonamide extractant solutions

International Nuclear Information System (INIS)

Erlinger, C.; Belloni, L.; Zemb, T.; Madic, C.

1999-01-01

Using small angle X-ray scattering, conductivity, and phase behavior determination, the authors show that concentrated solutions of malonamide extractants, dimethyldibutyltetradecylmalonamide (DMDBTDMA), are organized in reverse oligomeric aggregates which have many features in common with reverse micelles. The aggregation numbers of these reverse globular aggregates as well as their interaction potential are determined from absolute scattering curves. An attractive interaction is responsible for the demixing of the oil phase when in equilibrium with excess oil. Prediction of conductivity as well as the formation conditions for the third phase is possible using standard liquid theory applied to the extractant aggregates. The interactions, modeled with the sticky sphere model proposed by Baster, are shown to be due to steric interactions resulting from the hydrophobic tails of the extractant molecule and van der Waals forces between the highly polarizable water core of the reverse micelles. The attractive interaction in the oil phase, equilibrated with water, is determined as a function of temperature, extractant molecule concentration, and proton and neodynium(III) cation concentration. It is shown that van der Waals interactions, with an effective Hamaker constant of 3kT, quantitatively explain the behavior of DMDBTDMA in n-dodecane in terms of scattering as well as phase stability limits

Solution-Phase Synthesis of SnSe Nanocrystals for Use in Solar Cells

KAUST Repository

Franzman, Matthew A.

2010-03-31

Nanocrystals of phase-pure tin(II) selenide (SnSe) were synthesized via a solution-phase route employing stoichiometric amounts of di-tert-butyl dlselenlde as a novel and facile selenium source. The direct band gap of the resulting nanocrystals (E8 = 1.71 eV) is significantly blue-shifted relative to the bulk value (E8 = 1.30 eV), a likely consequence of quantum confinement resulting from the relatively small average diameter of the nanocrystals (μD < 20 nm). Preliminary solar cell devices incorporating SnSe nanocrystals into a poly[2-methoxy5-(3\\',7\\'-d1methyloctyloxy)-1,4- phenylenev1nylene] matrix demonstrate a significant enhancement In quantum efficiency and short-circuit current density, suggesting that this earth-abundant material could be a valuable component In future photovoltaic devices. Copyright © 2010 American Chemical Society.

TTI Phase 2 Institutional Support: Economic Policy Research Centre ...

International Development Research Centre (IDRC) Digital Library (Canada)

TTI Phase 2 Institutional Support: Economic Policy Research Centre ... the Economic Policy Research Centre's (EPRC) role as a credible public policy institution in ... IWRA/IDRC webinar on climate change and adaptive water management.

Phase Evolution of YBa2Cu3O7-x films by all-chemical solution deposition route for coated conductors

DEFF Research Database (Denmark)

Yue, Zhao; Tang, Xiao; Wu, Wei

2014-01-01

In order to understand the all-chemical-solution-deposition (CSD) processes for manufacturing coated conductors, we investigated the phase evolution of YBa2Cu3O7 (YBCO) films deposited by a low-fluorine metal-organic solution deposition (LF-MOD) method on CSD derived Ce0.9La0.1O2/Gd2Zr2O7/Ni......W. It is shown that the phase transition from the pyrolyzed film to fully converted YBCO film in the LF-MOD process is similar to that in typical trifluoroacetates-metal organic deposition (TFA-MOD) processes even though the amount of TFA in the solution is reduced by almost one half compared with typical TFA...

An ordered metallic glass solid solution phase that grows from the melt like a crystal

International Nuclear Information System (INIS)

Chapman, Karena W.; Chupas, Peter J.; Long, Gabrielle G.; Bendersky, Leonid A.; Levine, Lyle E.; Mompiou, Frédéric; Stalick, Judith K.; Cahn, John W.

2014-01-01

We report structural studies of an Al–Fe–Si glassy solid that is a solid solution phase in the classical thermodynamic sense. We demonstrate that it is neither a frozen melt nor nanocrystalline. The glass has a well-defined solubility limit and rejects Al during formation from the melt. The pair distribution function of the glass reveals chemical ordering out to at least 12 Å that resembles the ordering within a stable crystalline intermetallic phase of neighboring composition. Under isothermal annealing at 305 °C the glass first rejects Al, then persists for approximately 1 h with no detectable change in structure, and finally is transformed by a first-order phase transition to a crystalline phase with a structure that is different from that within the glass. It is possible that this remarkable glass phase has a fully ordered atomic structure that nevertheless possesses no long-range translational symmetry and is isotropic

Convergent solid-phase and solution approaches in the synthesis of the cysteine-rich Mdm2 RING finger domain.

Science.gov (United States)

Vasileiou, Zoe; Barlos, Kostas; Gatos, Dimitrios

2009-12-01

The RING finger domain of the Mdm2, located at the C-terminus of the protein, is necessary for regulation of p53, a tumor suppressor protein. The 48-residues long Mdm2 peptide is an important target for studying its interaction with small anticancer drug candidates. For the chemical synthesis of the Mdm2 RING finger domain, the fragment condensation on solid-phase and the fragment condensation in solution were studied. The latter method was performed using either protected or free peptides at the C-terminus as the amino component. Best results were achieved using solution condensation where the N-component was applied with the C-terminal carboxyl group left unprotected. The developed method is well suited for large-scale synthesis of Mdm2 RING finger domain, combining the advantages of both solid-phase and solution synthesis. (c) 2009 European Peptide Society and John Wiley & Sons, Ltd.

The use of wavelet transforms in the solution of two-phase flow problems

International Nuclear Information System (INIS)

Moridis, G.J.; Nikolaou, M.; You, Yong

1994-10-01

In this paper we present the use of wavelets to solve the nonlinear Partial Differential.Equation (PDE) of two-phase flow in one dimension. The wavelet transforms allow a drastically different approach in the discretization of space. In contrast to the traditional trigonometric basis functions, wavelets approximate a function not by cancellation but by placement of wavelets at appropriate locations. When an abrupt chance, such as a shock wave or a spike, occurs in a function, only local coefficients in a wavelet approximation will be affected. The unique feature of wavelets is their Multi-Resolution Analysis (MRA) property, which allows seamless investigational any spatial resolution. The use of wavelets is tested in the solution of the one-dimensional Buckley-Leverett problem against analytical solutions and solutions obtained from standard numerical models. Two classes of wavelet bases (Daubechies and Chui-Wang) and two methods (Galerkin and collocation) are investigated. We determine that the Chui-Wang, wavelets and a collocation method provide the optimum wavelet solution for this type of problem. Increasing the resolution level improves the accuracy of the solution, but the order of the basis function seems to be far less important. Our results indicate that wavelet transforms are an effective and accurate method which does not suffer from oscillations or numerical smearing in the presence of steep fronts

Oriented growth of Sr n+1Ti n O3n+1 Ruddlesden-Popper phases in chemical solution deposited thin films

International Nuclear Information System (INIS)

Gutmann, Emanuel; Levin, Alexandr A.; Reibold, Marianne; Mueller, Jan; Paufler, Peter; Meyer, Dirk C.

2006-01-01

Oriented thin films of perovskite-related Sr n +1 Ti n O 3 n +1 Ruddlesden-Popper phases (n=1, 2, 3) were grown on (001) single-crystalline SrTiO 3 substrates. Preparation of the films was carried out by wet chemical deposition from metalorganic Sr-Ti solutions (rich in Sr) and subsequent conversion into the crystalline state by thermal treatment in air atmosphere at a maximum temperature of 700 deg. C. Solutions were prepared by a modified Pechini method. The films were investigated by wide-angle X-ray scattering and high-resolution transmission electron microscopy. The phase content of powders prepared from the dried solutions and annealed under similar conditions differed from that present in the films, i.e. only polycrystalline SrTiO 3 was detected together with oxides of Ti and Sr. - Graphical abstract: Cross-sectional image of an oriented chemical solution deposited thin film obtained by high-resolution transmission electron microscopy. Periodical spacings corresponding to SrTiO 3 substrate (right) and Sr 2 TiO 4 Ruddlesden-Popper phase (n=1) film region (left) are marked

Exact Solution of the Six-Vertex Model with Domain Wall Boundary Conditions. Disordered Phase

CERN Document Server

Bleher, P M

2005-01-01

The six-vertex model, or the square ice model, with domain wall boundary conditions (DWBC) has been introduced and solved for finite $N$ by Korepin and Izergin. The solution is based on the Yang-Baxter equations and it represents the free energy in terms of an $N\\times N$ Hankel determinant. Paul Zinn-Justin observed that the Izergin-Korepin formula can be re-expressed in terms of the partition function of a random matrix model with a nonpolynomial interaction. We use this observation to obtain the large $N$ asymptotics of the six-vertex model with DWBC in the disordered phase. The solution is based on the Riemann-Hilbert approach and the Deift-Zhou nonlinear steepest descent method. As was noticed by Kuperberg, the problem of enumeration of alternating sign matrices (the ASM problem) is a special case of the the six-vertex model. We compare the obtained exact solution of the six-vertex model with known exact results for the 1, 2, and 3 enumerations of ASMs, and also with the exact solution on the so-called f...

A generalized volumetric dispersion model for a class of two-phase separation/reaction: finite difference solutions

Science.gov (United States)

Siripatana, Chairat; Thongpan, Hathaikarn; Promraksa, Arwut

2017-03-01

This article explores a volumetric approach in formulating differential equations for a class of engineering flow problems involving component transfer within or between two phases. In contrast to conventional formulation which is based on linear velocities, this work proposed a slightly different approach based on volumetric flow-rate which is essentially constant in many industrial processes. In effect, many multi-dimensional flow problems found industrially can be simplified into multi-component or multi-phase but one-dimensional flow problems. The formulation is largely generic, covering counter-current, concurrent or batch, fixed and fluidized bed arrangement. It was also intended to use for start-up, shut-down, control and steady state simulation. Since many realistic and industrial operation are dynamic with variable velocity and porosity in relation to position, analytical solutions are rare and limited to only very simple cases. Thus we also provide a numerical solution using Crank-Nicolson finite difference scheme. This solution is inherently stable as tested against a few cases published in the literature. However, it is anticipated that, for unconfined flow or non-constant flow-rate, traditional formulation should be applied.

Determination of the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system and a comparison between two theoretical methods for synthetic phase diagrams.

Science.gov (United States)

Han, Xu; Liu, Yang; Critser, John K

2010-08-01

Characterization of the thermodynamic properties of multi-solute aqueous solutions is of critical importance for biological and biochemical research. For example, the phase diagrams of aqueous systems, containing salts, saccharides, and plasma membrane permeating solutes, are indispensible in the field of cryobiology and pharmacology. However, only a few ternary phase diagrams are currently available for these systems. In this study, an auto-sampler differential scanning calorimeter (DSC) was used to determine the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system. To improve the accuracy of melting point measurement, a "mass-redemption" method was also applied for the DSC technique. Base on the analyses of these experimental data, a comparison was made between the two practical approaches to generate phase diagrams of multi-solute solutions from those of single-solute solutions: the summation of cubic polynomial melting point equations versus the use of osmotic virial equations with cross coefficients. The calculated values of the model standard deviations suggested that both methods are satisfactory for characterizing this quaternary system. (c) 2010 Elsevier Inc. All rights reserved.

EXAFS Phase Retrieval Solution Tracking for Complex Multi-Component System: Synthesized Topological Inverse Computation

International Nuclear Information System (INIS)

Lee, Jay Min; Yang, Dong-Seok; Bunker, Grant B

2013-01-01

Using the FEFF kernel A(k,r), we describe the inverse computation from χ(k)-data to g(r)-solution in terms of a singularity regularization method based on complete Bayesian statistics process. In this work, we topologically decompose the system-matched invariant projection operators into two distinct types, (A + AA + A) and (AA + AA + ), and achieved Synthesized Topological Inversion Computation (STIC), by employing a 12-operator-closed-loop emulator of the symplectic transformation. This leads to a numerically self-consistent solution as the optimal near-singular regularization parameters are sought, dramatically suppressing instability problems connected with finite precision arithmetic in ill-posed systems. By statistically correlating a pair of measured data, it was feasible to compute an optimal EXAFS phase retrieval solution expressed in terms of the complex-valued χ(k), and this approach was successfully used to determine the optimal g(r) for a complex multi-component system.

Construction of solutions in certain differential games with phase constraints

International Nuclear Information System (INIS)

Grigor'eva, S V; Uspenskii, A A; Ushakov, V N; Pakhotinskikh, V Yu

2005-01-01

A differential approach-evasion game with fixed termination time is studied. It is assumed that the phase vector of the conflict-control system is subjected to constraints that form a closed set in the position space. The ideology of stable bridges is used for solving the problem. A method of convolution is proposed, which is used in several problems for constructing explicitly the stable absorption operator defining the stable bridges. A method of approximate construction of the maximal stable bridge in this game is suggested. The relations are written down that define a system of sets approximating the maximal stable bridge, and a control procedure with a guide is described, which can be used for obtaining an approximate solution of the approach problem.

Molecular theory of chromatography for blocklike solutes in isotropic stationary phases and its application to supercritical fluid chromatographic retention of PAHs

International Nuclear Information System (INIS)

Chao Yan; Martire, D.E.

1992-01-01

This report discusses a molecular theory of chromatography for blocklike solutes in isotropic stationary phases as an extension to the anisotopic phase approach. Its it applied to gas, liquid, and supercritical fluid chromatography

Small Business Innovation Research. Abstracts of Phase II awards, 2000

Energy Technology Data Exchange (ETDEWEB)

None

2000-12-01

The SBIR program enables DOE to obtain effective, innovative solutions to important problems through the private sector, which has a commercial incentive to pursue the resulting technology and bring it to the marketplace. The growing number of awardees, many of them started in business in response to SBIR solicitations, is becoming a significant resource for the solution of high risk, high technology problems for the Department. As detailed below, this publication describes the technical efforts and commercialization possibilities for SBIR Phase II awards in Fiscal Year (FY) 2000. It is intended for the educated layman, and maybe of particular interest to potential investors who wish to get in on the ground floor of exciting opportunities.

Specific features of concentrated phase under decomposition of weak solid /sup 3/He-/sup 4/He solution

Energy Technology Data Exchange (ETDEWEB)

Mikheev, V A; Majdamov, V A; Kal' noj, S E; Omelaenko, N I

1988-06-01

The decomposition of solid /sup 3/He-/sup 4/He solutuions is studied on the samples 0.54% /sup 3/He(V=20.55 cm/sup 3//mole) and 0.60% /sup 4/He (V=24.04-24.93 cm/sup 3//mole) using pulse NMR method. At T=100 mK the decomposition of a weak solution proceeds more than for 30 h, the decomposition rate and temperature being dependent on the sample prehistory. In the concentrated phase of the decomposed weak solution the spin diffraction of /sup 3/He is of the quasi-one-dimensional character with the diffusion coefficient D /similar to/ 10/sup -5/ cm/sup 2//sec typical of liquid /sup 3/He and exceeding that bulk solid /sup 3/He by two orders of magnitude. The longitudinal relaxation time in the quasi-one-dimensional phase (/similar to/ 1 sec) is characteristic of the solid state and coinsides with data for bulk /sup 3/He. The temperature behaviour of magnetization in the quasi-one-dimensional phase is well described by the Curie law.

Initiating a New Research Phase in the Field of International Entrepreneurship

DEFF Research Database (Denmark)

Coviello, Nicole; Tanev, Stoyan

2017-01-01

In a recent publication, Nicole Coviello (2015) emphasized the need to re-think existing research on international entrepreneurship and, more specifically, research on born-global firms. She pointed out that the main value of a critical review lies in initiating a new research phase focusing on t...... be of relevance for new technology firms aiming at an international or global engagement from their very inception.......In a recent publication, Nicole Coviello (2015) emphasized the need to re-think existing research on international entrepreneurship and, more specifically, research on born-global firms. She pointed out that the main value of a critical review lies in initiating a new research phase focusing...

Convergence of solutions of a non-local phase-field system

Czech Academy of Sciences Publication Activity Database

Londen, S.-O.; Petzeltová, Hana

2011-01-01

Roč. 4, č. 3 (2011), s. 653-670 ISSN 1937-1632 R&D Projects: GA AV ČR(CZ) IAA100190606 Institutional research plan: CEZ:AV0Z10190503 Keywords : non-local phase-field systems * separation property * convergence to equilibria Subject RIV: BA - General Mathematics http://www.aimsciences.org/journals/displayArticles.jsp?paperID=5698

Practical Solutions for Pesticide Safety: A Farm and Research Team Participatory Model.

Science.gov (United States)

Galvin, Kit; Krenz, Jen; Harrington, Marcy; Palmández, Pablo; Fenske, Richard A

2016-01-01

Development of the Practical Solutions for Pesticide Safety guide used participatory research strategies to identify and evaluate solutions that reduce pesticide exposures for workers and their families and to disseminate these solutions. Project principles were (1) workplace chemicals belong in the workplace, and (2) pesticide handlers and farm managers are experts, with direct knowledge of production practices. The project's participatory methods were grounded in self-determination theory. Practical solutions were identified and evaluated based on five criteria: practicality, adaptability, health and safety, novelty, and regulatory compliance. Research activities that had more personal contact provided better outcomes. The Expert Working Group, composed of farm managers and pesticide handlers, was key to the identification of solutions, as were farm site visits. Audience participation, hands-on testing, and orchard field trials were particularly effective in the evaluation of potential solutions. Small work groups in a Regional Advisory Committee provided the best direction and guidance for a "user-friendly" translational document that provided evidence-based practical solutions. The "farmer to farmer" format of the guide was endorsed by both the Expert Working Group and the Regional Advisory Committee. Managers and pesticide handlers wanted to share their solutions in order to "help others stay safe," and they appreciated attribution in the guide. The guide is now being used in educational programs across the region. The fundamental concept that farmers and farmworkers are innovators and experts in agricultural production was affirmed by this study. The success of this process demonstrates the value of participatory industrial hygiene in agriculture.

Theory of the thermodynamic influence of solution-phase additives in shape-controlled nanocrystal synthesis.

Science.gov (United States)

Qi, Xin; Fichthorn, Kristen A

2017-10-19

Though many experimental studies have documented that certain solution-phase additives can play a key role in the shape-selective synthesis of metal nanocrystals, the origins and mechanisms of this shape selectivity are still unclear. One possible role of such molecules is to thermodynamically induce the equilibrium shape of a nanocrystal by altering the interfacial free energies of the facets. Using a multi-scheme thermodynamic integration method that we recently developed [J. Chem. Phys., 2016, 145, 194108], we calculate the solid-liquid interfacial free energies γ sl and investigate the propensity to achieve equilibrium shapes in such syntheses. We first apply this method to Ag(100) and Ag(111) facets in ethylene glycol solution containing polyvinylpyrrolidone (PVP), to mimic the environment in polyol synthesis of Ag nanocrystals. We find that although PVP has a preferred binding to Ag(100), its selectivity is not sufficient to induce a thermodynamic preference for {100}-faceted nanocubes, as has been observed experimentally. This indicates that PVP promotes Ag nanocube formation kinetically rather than thermodynamically. We further quantify the thermodynamic influence of adsorbed solution-phase additives for generic molecules, by building a γ sl ratio/nanocrystal shape map as a function of zero-temperature binding energies. This map can be used to gauge the efficacy of candidate additive molecules for producing targeted thermodynamic nanocrystal shapes. The results indicate that only additives with a strong facet selectivity can impart significant thermodynamic-shape change. Therefore, many of the nanocrystals observed in experiments are likely kinetic products.

Phased Array Antenna Testbed Development at the NASA Glenn Research Center

Science.gov (United States)

Lambert, Kevin M.; Kubat, Gregory; Johnson, Sandra K.; Anzic, Godfrey

2003-01-01

Ideal phased array antennas offer advantages for communication systems, such as wide-angle scanning and multibeam operation, which can be utilized in certain NASA applications. However, physically realizable, electronically steered, phased array antennas introduce additional system performance parameters, which must be included in the evaluation of the system. The NASA Glenn Research Center (GRC) is currently conducting research to identify these parameters and to develop the tools necessary to measure them. One of these tools is a testbed where phased array antennas may be operated in an environment that simulates their use. This paper describes the development of the testbed and its use in characterizing a particular K-Band, phased array antenna.

Exploring Poly(ethylene glycol-Polyzwitterion Diblock Copolymers as Biocompatible Smart Macrosurfactants Featuring UCST-Phase Behavior in Normal Saline Solution

Directory of Open Access Journals (Sweden)

Noverra M. Nizardo

2018-03-01

Full Text Available Nonionic-zwitterionic diblock copolymers are designed to feature a coil-to-globule collapse transition with an upper critical solution temperature (UCST in aqueous media, including physiological saline solution. The block copolymers that combine presumably highly biocompatible blocks are synthesized by chain extension of a poly(ethylene glycol (PEG macroinitiator via atom transfer radical polymerization (ATRP of sulfobetaine and sulfabetaine methacrylates. Their thermoresponsive behavior is studied by variable temperature turbidimetry and 1H NMR spectroscopy. While the polymers with polysulfobetaine blocks exhibit phase transitions in the physiologically interesting window of 30–50 °C only in pure aqueous solution, the polymers bearing polysulfabetaine blocks enabled phase transitions only in physiological saline solution. By copolymerizing a pair of structurally closely related sulfo- and sulfabetaine monomers, thermoresponsive behavior can be implemented in aqueous solutions of both low and high salinity. Surprisingly, the presence of the PEG blocks can affect the UCST-transitions of the polyzwitterions notably. In specific cases, this results in “schizophrenic” thermoresponsive behavior displaying simultaneously an UCST and an LCST (lower critical solution temperature transition. Exploratory experiments on the UCST-transition triggered the encapsulation and release of various solvatochromic fluorescent dyes as model “cargos” failed, apparently due to the poor affinity even of charged organic compounds to the collapsed state of the polyzwitterions.

The first preparative solution phase synthesis of melanotan II

Directory of Open Access Journals (Sweden)

2008-10-01

Full Text Available Melanotan II is a synthetic cyclic heptapeptide used to prevent a sunlight-induced skin cancer by stimulating the skin tanning process. In this paper we report the first solution phase synthesis of the title compound. The hexapeptide sequence has been assembled by [(2+2+1+1] scheme. After removing the orthogonal protection, a carbodiimide mediated lactamization, involving the ε-amino group of lysine and γ-carboxy group of aspartic acid, led to a cyclic intermediate. Appending N-acetylnorleucine concluded the assembly of melanotan II molecule. Protection of the lateral groups in arginine and tryptophan was omitted for atom and step economy reasons. The total synthesis of melanotan II was accomplished in 12 steps with 2.6% overall yield, affording >90% pure peptide without using preparative chromatography.

Linear analytical solution to the phase diversity problem for extended objects based on the Born approximation

NARCIS (Netherlands)

Andrei, R.M.; Smith, C.S.; Fraanje, P.R.; Verhaegen, M.; Korkiakoski, V.A.; Keller, C.U.; Doelman, N.J.

2012-01-01

In this paper we give a new wavefront estimation technique that overcomes the main disadvantages of the phase diversity (PD) algorithms, namely the large computational complexity and the fact that the solutions can get stuck in a local minima. Our approach gives a good starting point for an

Br2 production from the heterogeneous reaction of gas-phase OH with aqueous salt solutions: Impacts of acidity, halide concentration, and organic surfactants.

Science.gov (United States)

Frinak, Elizabeth K; Abbatt, Jonathan P D

2006-09-07

This study reports the first laboratory measurement of gas-phase Br2 production from the reaction between gas-phase hydroxyl radicals and aqueous salt solutions. Experiments were conducted at 269 K in a rotating wetted-wall flow tube coupled to a chemical-ionization mass spectrometer for analysis of gas-phase components. From both pure NaBr solutions and mixed NaCl/NaBr solutions, the amount of Br2 released was found to increase with increasing acidity, whereas it was found to vary little with increasing concentration of bromide ions in the sample. For mixed NaCl/NaBr solutions, Br2 was formed preferentially over Cl2 unless the Br- levels in the solution were significantly depleted by OH oxidation, at which point Cl2 formation was observed. Presence of a surfactant in solution, sodium dodecyl sulfate, significantly suppressed the formation of Br2; this is the first indication that an organic surfactant can affect the rate of interfacial mass transfer of OH to an aqueous surface. The OH-mediated oxidation of bromide may serve as a source of active bromine in the troposphere and contribute to the subsequent destruction of ozone that proceeds in marine-influenced regions of the troposphere.

Solution of the Cox-Thompson inverse scattering problem using finite set of phase shifts

CERN Document Server

Apagyi, B; Scheid, W

2003-01-01

A system of nonlinear equations is presented for the solution of the Cox-Thompson inverse scattering problem (1970 J. Math. Phys. 11 805) at fixed energy. From a given finite set of phase shifts for physical angular momenta, the nonlinear equations determine related sets of asymptotic normalization constants and nonphysical (shifted) angular momenta from which all quantities of interest, including the inversion potential itself, can be calculated. As a first application of the method we use input data consisting of a finite set of phase shifts calculated from Woods-Saxon and box potentials representing interactions with diffuse or sharp surfaces, respectively. The results for the inversion potentials, their first moments and asymptotic properties are compared with those provided by the Newton-Sabatier quantum inversion procedure. It is found that in order to achieve inversion potentials of similar quality, the Cox-Thompson method requires a smaller set of phase shifts than the Newton-Sabatier procedure.

Solution of the Cox-Thompson inverse scattering problem using finite set of phase shifts

International Nuclear Information System (INIS)

Apagyi, Barnabas; Harman, Zoltan; Scheid, Werner

2003-01-01

A system of nonlinear equations is presented for the solution of the Cox-Thompson inverse scattering problem (1970 J. Math. Phys. 11 805) at fixed energy. From a given finite set of phase shifts for physical angular momenta, the nonlinear equations determine related sets of asymptotic normalization constants and nonphysical (shifted) angular momenta from which all quantities of interest, including the inversion potential itself, can be calculated. As a first application of the method we use input data consisting of a finite set of phase shifts calculated from Woods-Saxon and box potentials representing interactions with diffuse or sharp surfaces, respectively. The results for the inversion potentials, their first moments and asymptotic properties are compared with those provided by the Newton-Sabatier quantum inversion procedure. It is found that in order to achieve inversion potentials of similar quality, the Cox-Thompson method requires a smaller set of phase shifts than the Newton-Sabatier procedure

Opalescence of an IgG2 monoclonal antibody solution as it relates to liquid-liquid phase separation.

Science.gov (United States)

Mason, Bruce D; Zhang, Le; Remmele, Richard L; Zhang, Jifeng

2011-11-01

Opalescence for a monoclonal antibody solution was systematically studied with respect to temperature, protein concentration, ionic strength (using KCl), and pH conditions. Multiple techniques, including measurement of light scattering at 90° and transmission, Tyndall test, and microscopy, were deployed to examine the opalescence behavior. Near the vicinity of the critical point on the liquid-liquid coexistence curve in the temperature-protein concentration phase diagram, the enhanced concentration fluctuations significantly contributed to the critical opalescence evidently by formation of small liquid droplets. Furthermore, our data confirm that away from the critical point, the opalescence behavior is related to the antibody self-association (agglomeration) caused by the attractive antibody-antibody interactions. As expected, at a pH near the pI of the antibody, the solution became less opalescent as the ionic strength increased. However, at a pH below the pI, the opalescence of the solution became stronger, reached a maximum, and then began to drop as the ionic strength further increased. The change in the opalescence correlated well with the trends of protein-protein interactions revealed by the critical temperature from the liquid-liquid phase separation. Copyright © 2011 Wiley-Liss, Inc.

Multiphase flow and phase change in microgravity: Fundamental research and strategic research for exploration of space

Science.gov (United States)

Singh, Bhim S.

2003-01-01

NASA is preparing to undertake science-driven exploration missions. The NASA Exploration Team's vision is a cascade of stepping stones. The stepping-stone will build the technical capabilities needed for each step with multi-use technologies and capabilities. An Agency-wide technology investment and development program is necessary to implement the vision. The NASA Exploration Team has identified a number of areas where significant advances are needed to overcome all engineering and medical barriers to the expansion of human space exploration beyond low-Earth orbit. Closed-loop life support systems and advanced propulsion and power technologies are among the areas requiring significant advances from the current state-of-the-art. Studies conducted by the National Academy of Science's National Research Council and Workshops organized by NASA have shown that multiphase flow and phase change play a crucial role in many of these advanced technology concepts. Lack of understanding of multiphase flow, phase change, and interfacial phenomena in the microgravity environment has been a major hurdle. An understanding of multiphase flow and phase change in microgravity is, therefore, critical to advancing many technologies needed. Recognizing this, the Office of Biological and Physical Research (OBPR) has initiated a strategic research thrust to augment the ongoing fundamental research in fluid physics and transport phenomena discipline with research especially aimed at understanding key multiphase flow related issues in propulsion, power, thermal control, and closed-loop advanced life support systems. A plan for integrated theoretical and experimental research that has the highest probability of providing data, predictive tools, and models needed by the systems developers to incorporate highly promising multiphase-based technologies is currently in preparation. This plan is being developed with inputs from scientific community, NASA mission planners and industry personnel

SOA enabled ELTA: approach in designing business intelligence solutions in Era of Big Data

Directory of Open Access Journals (Sweden)

Viktor Dmitriyev

2015-01-01

Full Text Available The current work presents a new approach for designing business intelligence solutions. In the Era of Big Data, former and robust analytical concepts and utilities need to adapt themselves to the changed market circumstances. The main focus of this work is to address the acceleration of building process of a “data-centric” Business Intelligence (BI solution besides preparing BI solutions for Big Data utilization. This research addresses the following goals: reducing the time spent during business intelligence solution’s design phase; achieving flexibility of BI solution by adding new data sources; and preparing BI solution for utilizing Big Data concepts. This research proposes an extension of the existing Extract, Load and Transform (ELT approach to the new one Extract, Load, Transform and Analyze (ELTA supported by service-orientation concept. Additionally, the proposed model incorporates Service-Oriented Architecture concept as a mediator for the transformation phase. On one side, such incorporation brings flexibility to the BI solution and on the other side; it reduces the complexity of the whole system by moving some responsibilities to external authorities.

Continued development of a semianalytical solution for two-phase fluid and heat flow in a porous medium

Energy Technology Data Exchange (ETDEWEB)

Doughty, C.; Pruess, K. [Lawrence Berkeley Lab., CA (United States)

1991-06-01

Over the past few years the authors have developed a semianalytical solution for transient two-phase water, air, and heat flow in a porous medium surrounding a constant-strength linear heat source, using a similarity variable {eta} = r/{radical}t. Although the similarity transformation approach requires a simplified geometry, all the complex physical mechanisms involved in coupled two-phase fluid and heat flow can be taken into account in a rigorous way, so that the solution may be applied to a variety of problems of current interest. The work was motivated by adverse to predict the thermohydrological response to the proposed geologic repository for heat-generating high-level nuclear wastes at Yucca Mountain, Nevada, in a partially saturated, highly fractured volcanic formation. The paper describes thermal and hydrologic conditions near the heat source; new features of the model; vapor pressure lowering; and the effective-continuum representation of a fractured/porous medium.

Modelling of retention of pesticides in reversed-phase high-performance liquid chromatography: Quantitative structure-retention relationships based on solute quantum-chemical descriptors and experimental (solvatochromic and spin-probe) mobile phase descriptors

International Nuclear Information System (INIS)

D'Archivio, Angelo Antonio; Ruggieri, Fabrizio; Mazzeo, Pietro; Tettamanti, Enzo

2007-01-01

A quantitative structure-retention relationship (QSRR) analysis based on multilinear regression (MLR) and artificial neural networks (ANNs) is carried out to model the combined effect of solute structure and eluent composition on the retention behaviour of pesticides in isocratic reversed-phase high-performance liquid chromatography (RP-HPLC). The octanol-water partition coefficient and four quantum chemical descriptors (the total dipole moment, the mean polarizability, the anisotropy of the polarizability and a descriptor of hydrogen-bonding based on the atomic charges on acidic and basic chemical functionalities) are considered as solute descriptors. In order to identify suitable mobile phase descriptors, encoding composition-dependent properties of both methanol- and acetonitrile-containing mobile phases, the Kamlet-Taft solvatochromic parameters (polarity-dipolarity, hydrogen-bond acidity and hydrogen-bond basicity, π * , α and β, respectively) and the 14 N hyperfine-splitting constant (a N ) of a spin-probe dissolved in the eluent are examined. A satisfactory description of mobile phase properties influencing the solute retention is provided by a N and β or alternatively π * and β. The two seven-parameter models resulting from combination of a N and β, or π * and β, with the solute descriptors were tested on a set of 26 pesticides representative of 10 different chemical classes in a wide range of mobile phase composition (30-60% (v/v) water-methanol and 30-70% (v/v) water-acetonitrile). Within the explored experimental range, the acidity of the eluent, as quantified by α, is almost constant, and this parameter is in fact irrelevant. The results reveal that a N and π * , that can be considered as interchangeable mobile phase descriptors, are the most influent variables in the respective models. The predictive ability of the proposed models, as tested on an external data set, is quite good (Q 2 close to 0.94) when a MLR approach is used, but the

Modelling of retention of pesticides in reversed-phase high-performance liquid chromatography: Quantitative structure-retention relationships based on solute quantum-chemical descriptors and experimental (solvatochromic and spin-probe) mobile phase descriptors

Energy Technology Data Exchange (ETDEWEB)

D' Archivio, Angelo Antonio [Dipartimento di Chimica, Ingegneria Chimica e Materiali, Universita degli Studi di L' Aquila, Via Vetoio, 67010 Coppito, L' Aquila (Italy)]. E-mail: darchivi@univaq.it; Ruggieri, Fabrizio [Dipartimento di Chimica, Ingegneria Chimica e Materiali, Universita degli Studi di L' Aquila, Via Vetoio, 67010 Coppito, L' Aquila (Italy); Mazzeo, Pietro [Dipartimento di Chimica, Ingegneria Chimica e Materiali, Universita degli Studi di L' Aquila, Via Vetoio, 67010 Coppito, L' Aquila (Italy); Tettamanti, Enzo [Dipartimento di Scienze Biomediche Comparate, Universita di Teramo, P.zzale A. Moro 45, 64100 Teramo (Italy)

2007-06-19

A quantitative structure-retention relationship (QSRR) analysis based on multilinear regression (MLR) and artificial neural networks (ANNs) is carried out to model the combined effect of solute structure and eluent composition on the retention behaviour of pesticides in isocratic reversed-phase high-performance liquid chromatography (RP-HPLC). The octanol-water partition coefficient and four quantum chemical descriptors (the total dipole moment, the mean polarizability, the anisotropy of the polarizability and a descriptor of hydrogen-bonding based on the atomic charges on acidic and basic chemical functionalities) are considered as solute descriptors. In order to identify suitable mobile phase descriptors, encoding composition-dependent properties of both methanol- and acetonitrile-containing mobile phases, the Kamlet-Taft solvatochromic parameters (polarity-dipolarity, hydrogen-bond acidity and hydrogen-bond basicity, {pi} {sup *}, {alpha} and {beta}, respectively) and the {sup 14}N hyperfine-splitting constant (a {sub N}) of a spin-probe dissolved in the eluent are examined. A satisfactory description of mobile phase properties influencing the solute retention is provided by a {sub N} and {beta} or alternatively {pi} {sup *} and {beta}. The two seven-parameter models resulting from combination of a {sub N} and {beta}, or {pi} {sup *} and {beta}, with the solute descriptors were tested on a set of 26 pesticides representative of 10 different chemical classes in a wide range of mobile phase composition (30-60% (v/v) water-methanol and 30-70% (v/v) water-acetonitrile). Within the explored experimental range, the acidity of the eluent, as quantified by {alpha}, is almost constant, and this parameter is in fact irrelevant. The results reveal that a {sub N} and {pi} {sup *}, that can be considered as interchangeable mobile phase descriptors, are the most influent variables in the respective models. The predictive ability of the proposed models, as tested on an

Synthesized research report in the second mid-term research phase. Mizunami Underground Research Laboratory project, Horonobe Underground Research Laboratory project and geo-stability project

International Nuclear Information System (INIS)

Hama, Katsuhiro; Sasao, Eiji; Iwatsuki, Teruki; Saegusa, Hiromitsu; Sato, Toshinori; Umeda, Koji; Yasue, Kenichi; Asamori, Koichi; Osawa, Hideaki; Koide, Kaoru; Nagae, Isako; Natsuyama, Ryoko; Mizuno, Takashi; Fujita, Tomoo; Sasamoto, Hiroshi; Matsuoka, Toshiyuki; Yokota, Hideharu; Ishii, Eiichi; Aoyagi, Kazuhei; Nakayama, Masashi; Ito, Hiroaki; Tsusaka, Kimikazu; Ohyama, Takuya; Senba, Takeshi; Amano, Kenji

2015-08-01

We have synthesised the research results from Mizunami/Horonobe URLs and geo-stability projects in the second mid-term research phase. It could be used as technical bases for NUMO/Regulator in each decision point from siting to beginning of disposal (Principal Investigation to Detailed Investigation Phase). High quality construction techniques and field investigation methods have been developed and implemented and these will be directly applicable to the National Disposal Program (along with general assessments of hazardous natural events and processes). It will be crucial to acquire technical knowledge on decisions of partial backfilling and final closure by actual field experiments in Mizunami/Horonobe URLs as main themes for the next phases. (author)

A Mass Conservative Numerical Solution for Two-Phase Flow in Porous Media With Application to Unsaturated Flow

DEFF Research Database (Denmark)

Celia, Michael A.; Binning, Philip John

1992-01-01

that the algorithm produces solutions that are essentially mass conservative and oscillation free, even in the presence of steep infiltrating fronts. When the algorithm is applied to the case of air and water flow in unsaturated soils, numerical results confirm the conditions under which Richards's equation is valid....... Numerical results also demonstrate the potential importance of air phase advection when considering contaminant transport in unsaturated soils. Comparison to several other numerical algorithms shows that the modified Picard approach offers robust, mass conservative solutions to the general equations...

Aqueous two-phase system patterning of detection antibody solutions for cross-reaction-free multiplex ELISA

Science.gov (United States)

Frampton, John P.; White, Joshua B.; Simon, Arlyne B.; Tsuei, Michael; Paczesny, Sophie; Takayama, Shuichi

2014-05-01

Accurate disease diagnosis, patient stratification and biomarker validation require the analysis of multiple biomarkers. This paper describes cross-reactivity-free multiplexing of enzyme-linked immunosorbent assays (ELISAs) using aqueous two-phase systems (ATPSs) to confine detection antibodies at specific locations in fully aqueous environments. Antibody cross-reactions are eliminated because the detection antibody solutions are co-localized only to corresponding surface-immobilized capture antibody spots. This multiplexing technique is validated using plasma samples from allogeneic bone marrow recipients. Patients with acute graft versus host disease (GVHD), a common and serious condition associated with allogeneic bone marrow transplantation, display higher mean concentrations for four multiplexed biomarkers (HGF, elafin, ST2 and TNFR1) relative to healthy donors and transplant patients without GVHD. The antibody co-localization capability of this technology is particularly useful when using inherently cross-reactive reagents such as polyclonal antibodies, although monoclonal antibody cross-reactivity can also be reduced. Because ATPS-ELISA adapts readily available antibody reagents, plate materials and detection instruments, it should be easily transferable into other research and clinical settings.

Conformational Study of DNA Sugars: from the Gas Phase to Solution

Science.gov (United States)

Uriarte, Iciar; Vallejo-López, Montserrat; Cocinero, Emilio J.; Corzana, Francisco; Davis, Benjamin G.

2017-06-01

Sugars are versatile molecules that play a variety of roles in the organism. For example, they are important in energy storage processes or as structural scaffolds. Here, we focus on the monosaccharide present in DNA by addressing the conformational and puckering properties in the gas phase of α- and β-methyl-2-deoxy-ribofuranoside and α- and β-methyl-2-deoxy-ribopiranoside. Other sugars have been previously studied in the gas phase The work presented here stems from a combination of chemical synthesis, ultrafast vaporization methods, supersonic expansions, microwave spectroscopy (both chirped-pulsed and Balle-Flygare cavity-based spectrometers) and NMR spectroscopy. Previous studies in the gas phase had been performed on 2-deoxyribose, but only piranose forms were detected. However, thanks to the combination of these techniques, we have isolated and characterized for the first time the conformational landscape of the sugar present in DNA in its biologically relevant furanose form. Our gas phase study serves as a probe of the conformational preferences of these biomolecules under isolation conditions. Thanks to the NMR experiments, we can characterize the favored conformations in solution and extract the role of the solvent in the structure and puckering of the monosaccharides. E. J. Cocinero, A. Lesarri, P. Écija, F. J. Basterretxea, J.-U. Grabow, J. A. Fernández, F. Castaño, Angew. Chem. Int. Edit. 2012, 51, 3119. P. Écija, I. Uriarte, L. Spada, B. G. Davis, W. Caminati, F. J. Basterretxea, A. Lesarri, E. J. Cocinero, Chem. Commun. 2016, 52, 6241. I. Peña, E. J. Cocinero, C. Cabezas, A. Lesarri, S. Mata, P. Écija, A. M. Daly, Á. Cimas, C. Bermúdez, F. J. Basterretxea, S. Blanco, J. A. Fernández, J. C. López, F. Castaño, J. L. Alonso, Angew. Chem. Int. Edit. 2013, 52, 11840.

Synthesized research report in the second mid-term research phase. Mizunami Underground Research Laboratory project, Horonobe Underground Research Laboratory project and geo-stability project (Translated document)

International Nuclear Information System (INIS)

Hama, Katsuhiro; Sasao, Eiji; Iwatsuki, Teruki; Onoe, Hironori; Sato, Toshinori; Yasue, Kenichi; Asamori, Koichi; Niwa, Masakazu; Osawa, Hideaki; Nagae, Isako; Natsuyama, Ryoko; Fujita, Tomoo; Sasamoto, Hiroshi; Matsuoka, Toshiyuki; Takeda, Masaki; Aoyagi, Kazuhei; Nakayama, Masashi; Miyakawa, Kazuya; Ito, Hiroaki; Ohyama, Takuya; Senba, Takeshi; Amano, Kenji

2016-08-01

We have synthesized the research results from the Mizunami/Horonobe Underground Research Laboratories (URLs) and geo-stability projects in the second mid-term research phase. This report can be used as a technical basis for the Nuclear Waste Management Organization of Japan/Regulator at each decision point from siting to beginning of disposal (Principal Investigation to Detailed Investigation Phase). High-quality construction techniques and field investigation methods have been developed and implemented, which will be directly applicable to the National Disposal Program (together with general assessments of hazardous natural events and processes). Acquisition of technical knowledge on decisions of partial backfilling and final closure from actual field experiments in the Mizunami/Horonobe URLs will be crucial as the main theme for the next phases. (author)

Liquid-Phase Packaging of a Glucose Oxidase Solution with Parylene Direct Encapsulation and an Ultraviolet Curing Adhesive Cover for Glucose Sensors

Directory of Open Access Journals (Sweden)

Seiichi Takamatsu

2010-06-01

Full Text Available We have developed a package for disposable glucose sensor chips using Parylene encapsulation of a glucose oxidase solution in the liquid phase and a cover structure made of an ultraviolet (UV curable adhesive. Parylene was directly deposited onto a small volume (1 μL of glucose oxidase solution through chemical vapor deposition. The cover and reaction chamber were constructed on Parylene film using a UV-curable adhesive and photolithography. The package was processed at room temperature to avoid denaturation of the glucose oxidase. The glucose oxidase solution was encapsulated and unsealed. Glucose sensing was demonstrated using standard amperometric detection at glucose concentrations between 0.1 and 100 mM, which covers the glucose concentration range of diabetic patients. Our proposed Parylene encapsulation and UV-adhesive cover form a liquid phase glucose-oxidase package that has the advantages of room temperature processing and direct liquid encapsulation of a small volume solution without use of conventional solidifying chemicals.

Final report on the surface-based investigation phase (phase 1) at the Mizunami Underground Research Laboratory project

International Nuclear Information System (INIS)

Saegusa, Hiromitsu; Matsuoka, Toshiyuki

2011-03-01

The Mizunami Underground Research Laboratory (MIU) Project is a comprehensive research project investigating the deep underground environment within crystalline rock being conducted by Japan Atomic Energy Agency at Mizunami City in Gifu Prefecture, central Japan and its role is defined in 'Framework for Nuclear Energy Policy' by Japan Atomic Energy Commission. The MIU Project has three overlapping phases: Surface-based Investigation phase (Phase I), Construction phase (Phase II), and Operation phase (Phase III), with a total duration of 20 years. The overall project goals of the MIU Project from Phase I through to Phase III are: 1) to establish techniques for investigation, analysis and assessment of the deep geological environment, and 2) to develop a range of engineering for deep underground application. During Phase I, the overall project goals were supported by Phase I goals. For the overall project goals 1), the Phase I goals were set to construct models of the geological environment from all surface-based investigation results that describe the geological environment prior to excavation and predict excavation response. For the overall project goals 2), the Phase I goals were set to formulate detailed design concepts and a construction plan for the underground facilities. This report summarizes the Phase I investigation which was completed in March 2005. The authors believe this report will make an important milestone, since this report clarifies how the Phase I goals are achieved and evaluate the future issues thereby direct the research which will be conducted during Phase II. With regard to the overall project goals 1), 'To establish techniques for investigation, analysis and assessment of the deep geological environment,' a step-wise investigation was conducted by iterating investigation, interpretation, and assessment, thereby understanding of geologic environment was progressively and effectively improved with progress of investigation. An optimal

The waste management at research laboratories - problems and solutions

International Nuclear Information System (INIS)

Dellamano, Jose Claudio; Vicente, Roberto

2011-01-01

The radioactive management in radioactive installations must be planned and controlled. However, in the case of research laboratories, that management is compromised due to the common use of materials and installations, the lack of trained personnel and the nonexistence of clear and objective orientations by the regulator organism. Such failures cause an increasing of generated radioactive wastes and the imprecision or nonexistence of record of radioactive substances, occasioning a financial wastage, and the cancelling of licences for use of radioactive substances. This paper discusses and proposes solutions for the problems found at radioactive waste management in research laboratories

Small Business Innovation Research. Abstracts of Phase II awards, 2000; TOPICAL

International Nuclear Information System (INIS)

2000-01-01

The SBIR program enables DOE to obtain effective, innovative solutions to important problems through the private sector, which has a commercial incentive to pursue the resulting technology and bring it to the marketplace. The growing number of awardees, many of them started in business in response to SBIR solicitations, is becoming a significant resource for the solution of high risk, high technology problems for the Department. As detailed below, this publication describes the technical efforts and commercialization possibilities for SBIR Phase II awards in Fiscal Year (FY) 2000. It is intended for the educated layman, and maybe of particular interest to potential investors who wish to get in on the ground floor of exciting opportunities

Small Business Innovation Research, Post-Phase II Opportunity Assessment

Science.gov (United States)

Nguyen, Hung D.; Steele, Gynelle C.

2015-01-01

This report outlines current Small Business Innovation Research (SBIR) Post-Phase II opportunity contract award results for the SBIR technology program from 2007 to 2011 for NASA's Aeronautics Research Mission Directorate (ARMD), Human Exploration and Operations Mission Directorate (HEOMD), Science Mission Directorate (SMD), and Space Technology Mission Directorate (STMD). The report provides guidelines for incorporating SBIR technology into NASA programs and projects and provides a quantitative overview of the post-Phase II award patterns that correspond with each mission directorate at NASA Glenn Research Center (GRC). In recent years, one of NASA's goals has been to not only transfer SBIR technologies to commercial industries, but to ensure that NASA mission directorates incorporate SBIR technologies into their program and project activities. Before incorporating technologies into MD programs, it is important to understand each mission directorate structure because each directorate has different objectives and needs. The directorate program structures follow.

In-Situ Synchrotron X-ray Study of the Phase and Texture Evolution of Ceria and Superconductor Films Deposited by Chemical Solution Method

DEFF Research Database (Denmark)

Yue, Zhao; Grivel, Jean-Claude; He, Dong

2012-01-01

In situ synchrotron x-ray diffraction is used to study the phase and texture formation of ceria based films and superconductor films deposited by the chemical solution method on technical substrates. Combined analysis using in situ synchrotron x-ray diffraction, thermogravimetry/differential ther......In situ synchrotron x-ray diffraction is used to study the phase and texture formation of ceria based films and superconductor films deposited by the chemical solution method on technical substrates. Combined analysis using in situ synchrotron x-ray diffraction, thermogravimetry...

The salting-out effect and phase separation in aqueous solutions of tri-sodium citrate and 1-butyl-3-methylimidazolium bromide

International Nuclear Information System (INIS)

Sadeghi, Rahmat; Golabiazar, Roonak; Shekaari, Hemayat

2010-01-01

The aim of this work is to obtain further evidence about the salting-out effect produced by the addition of tri-sodium citrate to aqueous solutions of water miscible ionic liquid 1-butyl-3-methylimidazolium bromide ([C 4 mim][Br]) by evaluating the effect of tri-sodium citrate on the thermodynamic properties of aqueous solutions of this ionic liquid. Experimental measurements of density and sound velocity at different temperatures ranging from (288.15 to 308.15) K, the refractive index at 308.15 K and the liquid-liquid phase diagram at different temperatures ranging from (288.15 to 338.15) K for aqueous solutions containing 1-butyl-3-methylimidazolium bromide ([C 4 mim][Br]) and tri-sodium citrate (Na 3 Cit) are taken. The apparent molar volume of transfer of [C 4 mim][Br] from water to aqueous solutions of Na 3 Cit have positive values and it increases by increasing salt molality. Although at high IL molality, the apparent molar isentropic compressibility shows similar behaviour with that of the apparent molar volume. However at low concentrations of IL, the apparent molar isentropic compressibility of transfer of [C 4 mim][Br] from water to aqueous solutions of Na 3 Cit have negative values. The effects of temperature and the addition of Na 3 Cit and [C 4 mim][Br] on the liquid-liquid phase diagram of the investigated system have been studied. It was found that an increase in temperature caused the expansion of the one-phase region. The presence of Na 3 Cit triggers a salting-out effect, leading to significant upward shifts of the liquid-liquid de-mixing temperatures of the system. The effect of temperature on the phase-forming ability in the system investigated has been studied based on a salting-out coefficient obtained from fitting the binodal values to a Setschenow-type equation for each temperature. Based on cloud point values, the energetics of the clouding process have been estimated and it was found that both of entropy and enthalpy are the driving forces

Phase and Texture of Solution-Processed Copper Phthalocyanine Thin Films Investigated by Two-Dimensional Grazing Incidence X-Ray Diffraction

Directory of Open Access Journals (Sweden)

Lulu Deng

2011-07-01

Full Text Available The phase and texture of a newly developed solution-processed copper phthalocyanine (CuPc thin film have been investigated by two-dimensional grazing incidence X-ray diffraction. The results show that it has β phase crystalline structure, with crystallinity greater than 80%. The average size of the crystallites is found to be about 24 nm. There are two different arrangements of crystallites, with one dominating the diffraction pattern. Both of them have preferred orientation along the thin film normal. Based on the similarities to the vacuum deposited CuPc thin films, the new solution processing method is verified to offer a good alternative to vacuum process, for the fabrication of low cost small molecule based organic photovoltaics.

Research in Korea on Gas Phase Synthesis and Control of Nanoparticles

International Nuclear Information System (INIS)

Choi, Mansoo

2001-01-01

Research activity into the gas phase synthesis of nanoparticles has witnessed rapid growth on a worldwide basis, which is also reflected by Korean research efforts. Nanoparticle research is inherently a multi-disciplinary activity involving both science and engineering. In this paper, the recent studies undertaken in Korea on the gas phase synthesis and control of nanoparticles are reviewed. Studies on the synthesis of various kinds of nanoparticles are first discussed with a focus on the different types of reactors used. Recent experimental and theoretical studies and newly developed methods of measuring and modeling nanoparticle growth are also reviewed

Solution phase and membrane immobilized iron-based free radical reactions: Fundamentals and applications for water treatment

Science.gov (United States)

Lewis, Scott Romak

Membrane-based separation processes have been used extensively for drinking water purification, wastewater treatment, and numerous other applications. Reactive membranes synthesized through functionalization of the membrane pores offer enhanced reactivity due to increased surface area at the polymer-solution interface and low diffusion limitations. Oxidative techniques utilizing free radicals have proven effective for both the destruction of toxic organics and non-environmental applications. Most previous work focuses on reactions in the homogeneous phase; however, the immobilization of reactants in membrane pores offers several advantages. The use of polyanions immobilized in a membrane or chelates in solution prevents ferric hydroxide precipitation at near-neutral pH, a common limitation of iron(Fe(II/III))-catalyzed hydrogen peroxide (H 2O2) decomposition. The objectives of this research are to develop a membrane-based platform for the generation of free radicals, degrade toxic organic compounds using this and similar solution-based reactions, degrade toxic organic compounds in droplet form, quantify hydroxyl radical production in these reactions, and develop kinetic models for both processes. In this study, a functionalized membrane containing poly(acrylic acid) (PAA) was used to immobilize iron ions and conduct free radical reactions by permeating H2O2 through the membrane. The membrane's responsive behavior to pH and divalent cations was investigated and modeled. The conversion of Fe(II) to Fe(III) in the membrane and its effect on the decomposition of hydrogen peroxide were monitored and used to develop kinetic models for predicting H2O2 decomposition in these systems. The rate of hydroxyl radical production, and hence contaminant degradation can be varied by changing the residence time, H2O2 concentration, and/or iron loading. Using these membrane-immobilized systems, successful removal of toxic organic compounds, such as pentachlorophenol (PCP), from water

Solid-state transformation of Fe-rich intermetallic phases in Al–5.0Cu–0.6Mn squeeze cast alloy with variable Fe contents during solution heat treatment

International Nuclear Information System (INIS)

Lin, Bo; Zhang, Weiwen; Zhao, Yuliang; Li, Yuanyuan

2015-01-01

The Al–5.0 wt.% Cu–0.6 wt.% Mn alloys with a variable Fe content were prepared by squeeze casting. Optical microscopy (OM), Deep etching technique, scanning electron microscopy(SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to examine the solid-state transformation of Fe-rich intermetallics during the solution heat treatment. The results showed that the Chinese script-like α-Fe, Al 6 (FeMn) and needle-like Al 3 (FeMn) phases transform to a new Cu-rich β-Fe (Al 7 Cu 2 (FeMn)) phase during solution heat treatment. The possible reaction and overall transformation kinetics of the solid-state phase transformation for the Fe-rich intermetallics were investigated. - Graphical abstract: Display Omitted - Highlights: • The α-Fe, Al 6 (FeMn) and Al 3 (FeMn) phases change to the β-Fe phases. • Possible reactions of Fe phases during solution heat treatment are discussed. • The overall fractional transformation rate follows an Avrami curve

Direct formation of new, phase-stable, and photoactive anatase-type Ti1-2XNbXScXO2 solid solution nanoparticles by hydrothermal method

International Nuclear Information System (INIS)

Hirano, Masanori; Ito, Takaharu

2008-01-01

A new anatase phase of photoactive Ti 1-2X Nb X Sc X O 2 (X = 0-0.2) solid solutions was directly formed as nanoparticles from precursor solutions of TiOSO 4 , NbCl 5 , and Sc(NO 3 ) 3 under mild hydrothermal conditions at 180 deg. C for 5 h using the hydrolysis of urea. With the increase of the content of niobium and scandium from X = 0 to 0.2, the lattice parameters a 0 and c 0 , the crystallite size, and the optical band gap of anatase gradually increased. Their photocatalytic activity and adsorptivity were evaluated separately by the measurement of the concentration of methylene blue (MB) remained in the solution in the dark or under UV-light irradiation. The anatase-type Ti 1-2X Nb X Sc X O 2 (X = 0.05) showed approximately two times and three times as high photocatalytic activity as those of the hydrothermal anatase-type pure TiO 2 and commercially available reference pure TiO 2 (ST-01), respectively. The anatase phase of Ti 1-2X Nb X Sc X O 2 (X = 0-0.2) existed stably up to 900 deg. C during heat treatment in air. New rutile-type Ti 1-2X Nb X Sc X O 2 solid solutions are formed through the phase transformation. The starting temperature of anatase-to-rutile phase transformation for Ti 1-2X Nb X Sc X O 2 (X = 0-0.2) solid solutions was delayed but its completing temperature was accelerated

Ocean Margins Programs, Phase I research summaries

Energy Technology Data Exchange (ETDEWEB)

Verity, P. [ed.

1994-08-01

During FY 1992, the DOE restructured its regional coastal-ocean programs into a new Ocean Margins Program (OMP), to: Quantify the ecological and biogeochemical processes and mechanisms that affect the cycling, flux, and storage of carbon and other biogenic elements at the land/ocean interface; Define ocean-margin sources and sinks in global biogeochemical cycles, and; Determine whether continental shelves are quantitatively significant in removing carbon dioxide from the atmosphere and isolating it via burial in sediments or export to the interior ocean. Currently, the DOE Ocean Margins Program supports more than 70 principal and co-principal investigators, spanning more than 30 academic institutions. Research funded by the OMP amounted to about $6.9M in FY 1994. This document is a collection of abstracts summarizing the component projects of Phase I of the OMP. This phase included both research and technology development, and comprised projects of both two and three years duration. The attached abstracts describe the goals, methods, measurement scales, strengths and limitations, and status of each project, and level of support. Keywords are provided to index the various projects. The names, addresses, affiliations, and major areas of expertise of the investigators are provided in appendices.

PERMITTIVITY RESEARCH OF BIOLOGICAL SOLUTIONS IN GIGAHERTZ FREQUENCY RANGE

Directory of Open Access Journals (Sweden)

Anton S. Demin

2017-07-01

Full Text Available Subject of Research. We present results of permittivity research in gigahertz frequency range for saline and glucose solutions used in medical practice. Experiment results are substantiated theoretically on the basis of Debye-Cole model. Method. Researches have been carried out on blood plasma of healthy donor, water, normal saline and glucose solutions with different concentration from 3 to 12 mmol/l. Experiments have been performed by an active nearfield method based on measuring the impedance of a plane air-liquid boundary with open end of coaxial waveguide in the frequency range from 1 to 12 GHz. Measurement results have been processed with the use of vector analyzer computer system from Rohde & Schwarz. Transmittance spectra have been determined by means of IR-spectrometer from TENZOR-Bruker. Main Results. Simulation results have shown good agreement between the experimental results and the model, as well as the choice of the main parameters of the Debye-Cole model in the studied frequency range for all media. It has been shown that the range of 3-6 GHz can be considered as the main one in the development of diagnostic sensors for the non-invasive analysis of the glucose concentration in the human blood. Practical Relevance. Electrodynamic models of test fluid replacing human blood give the possibility to simulate the sensor basic characteristics for qualitative and quantitative estimation of glucose concentration in human blood and can be used to create an experimental sample of a non- invasive glucometer.

A solution phase fabrication of magnetic nanoparticles encapsulated in carbon

International Nuclear Information System (INIS)

Wei Xianwen; Zhu Guoxing; Xia Chuanjun; Ye Yin

2006-01-01

To avoid high energy consumption, intensive use of hardware and high cost in the manufacture of nanoparticles encapsulated in carbon, a simple, efficient and economical solution-phase method for the fabrication of FeNi at C nanostructures has been explored. The reaction to the magnetic metal at C structures here is conducted at a relatively low temperature (160 deg. C) and this strategy can be transferred to prepare other transition metal at C core-shell nanostructures. The saturation magnetization of metal in metal at C nanostructures is similar to those of the corresponding buck metals. Magnetic metal at C nanostructures with magnetic metal nanoparticles inside and a functionalized carbon surface outside may not only provide the opportunity to tailor the magnetic properties for magnetic storage devices and therapeutics but also make possible the loading of other functional molecules (e.g. enzymes, antigens) for clinic diagnostics, molecular biology, bioengineering, and catalysis

Spontaneous vesicle phase formation by pseudogemini surfactants in aqueous solutions.

Science.gov (United States)

Sun, Nan; Shi, Lijuan; Lu, Fei; Xie, Shuting; Zheng, Liqiang

2014-08-14

The phase behavior of a kind of pseudogemini surfactant in aqueous solutions, formed by the mixture of sodium dodecyl benzene sulfonate (SDBS) and butane-1,4-bis (methylimidazolium bromide) ([mim-C4-mim]Br2) or butane-1,4-bis(methylpyrrolidinium bromide) ([mpy-C4-mpy]Br2) in a molar ratio of 2 : 1, is reported in the present work. When [mim-C4-mim]Br2 or [mpy-C4-mpy]Br2 is mixed with SDBS in aqueous solutions, one cationic [mim-C4-mim]Br2 or [mpy-C4-mpy]Br2 molecule "bridges" two SDBS molecules by noncovalent interactions (e.g. electrostatic, π-π stacking, and σ-π interactions), behaving like a pseudogemini surfactant. Vesicles can be formed by this kind of pseudogemini surfactant, determined by freeze-fracture transmission electron microscopy (FF-TEM) or cryogenic-transmission electron microscopy (cryo-TEM) and dynamic light scattering (DLS). The mixed system of sodium dodecyl sulfate (SDS) with [mim-C4-mim]Br2 or [mpy-C4-mpy]Br2 was also constructed, and only micelles were observed. We infer that a pseudogemini surfactant is formed under the synergic effect of electrostatic, π-π stacking, and σ-π interactions in the SDBS/[mim-C4-mim]Br2/H2O system, while electrostatic attraction and hydrophobic interactions may provide the directional force for vesicle formation in the SDBS/[mpy-C4-mpy]Br2/H2O system.

Collegiate Aviation Research and Education Solutions to Critical Safety Issues. UNO Aviation Monograph Series. UNOAI Report.

Science.gov (United States)

Bowen, Brent, Ed.

This document contains four papers concerning collegiate aviation research and education solutions to critical safety issues. "Panel Proposal Titled Collegiate Aviation Research and Education Solutions to Critical Safety Issues for the Tim Forte Collegiate Aviation Safety Symposium" (Brent Bowen) presents proposals for panels on the…

Crystal structure and magnetic properties of the solid-solution phase Ca3Co2-v Sc v O6

International Nuclear Information System (INIS)

Hervoches, Charles H.; Fredenborg, Vivian Miksch; Kjekshus, Arne; Fjellvag, Helmer; Hauback, Bjorn C.

2007-01-01

The two crystallographically non-equivalent Co atoms of the quasi-one-dimensional crystal structure of Ca 3 Co 2 O 6 form chains with alternating, face-sharing polyhedra of Co2O 6 trigonal prisms and Co1O 6 octahedra. This compound forms a substitutional solid-solution phase with Sc, in which the Sc atoms enter the Co2 sublattice exclusively. The homogeneity range of Ca 3 Co 2- v Sc v O 6 (more specifically Ca 3 Co1Co2 1- v Sc v O 6 ) extends up to v∼0.55. The crystal structure belongs to space group R3-barc with lattice parameters (in hexagonal setting): 9.0846(3)≤a≤9.1300(2) A and 10.3885(4)≤c≤10.4677(4) A. The magnetic moment decreases rapidly with increasing amount of the non-magnetic Sc solute in the lattice. - Graphical abstract: The quasi-one-dimensional Ca 3 Co 2 O 6 phase forms a substitutional solid-solution system with Sc, in which the Sc atoms enter the Co2 sublattice exclusively. The homogeneity range of Ca 3 Co 2- v Sc v O 6 extends up to v∼0.55. The magnetic moment decreases rapidly with increasing amount of the non-magnetic Sc solute in the lattice

1D and 2D NMR Spectroscopy of Bonding Interactions within Stable and Phase-Separating Organic Electrolyte-Cellulose Solutions.

Science.gov (United States)

Clough, Matthew T; Farès, Christophe; Rinaldi, Roberto

2017-09-11

Organic electrolyte solutions (i.e. mixtures containing an ionic liquid and a polar, molecular co-solvent) are highly versatile solvents for cellulose. However, the underlying solvent-solvent and solvent-solute interactions are not yet fully understood. Herein, mixtures of the ionic liquid 1-ethyl-3-methylimidazolium acetate, the co-solvent 1,3-dimethyl-2-imidazolidinone, and cellulose are investigated using 1D and 2D NMR spectroscopy. The use of a triply- 13 C-labelled ionic liquid enhances the signal-to-noise ratio for 13 C NMR spectroscopy, enabling changes in bonding interactions to be accurately pinpointed. Current observations reveal an additional degree of complexity regarding the distinct roles of cation, anion, and co-solvent toward maintaining cellulose solubility and phase stability. Unexpectedly, the interactions between the dialkylimidazolium ring C 2 -H substituent and cellulose become more pronounced at high temperatures, counteracted by a net weakening of acetate-cellulose interactions. Moreover, for mixtures that exhibit critical solution behavior, phase separation is accompanied by the apparent recombination of cation-anion pairs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Method of removing alkyl iodides or mixtures of iodine and alkyl iodides from a gas phase and an aqueous solution phase by utilizing ion exchange resins

International Nuclear Information System (INIS)

Shimizu, Hiroshi; Mizuuchi, Noboru; Yokoyama, Fumio.

1967-01-01

Alkyl iodides and mixtures of iodine and alkyl iodides are removed from a gas phase and an aquous solution phase by using solely an anion exchange resin containing a tertiary amine or together with an anion exchange resin containing quarternary ammonium compound. The resin containing the quarternary ammonium compound is employed mainly to remove iodine, and the resin containing the tertiary amine serves mainly to remove alkyl iodides. The method can be applied to collecting a majority of the methyl iodide as well as the radioactive iodine produced in the atmosphere of a reactor in case of a fuel accident. In embodiments, it is desirable to maintain the sufficient moisture content of the anion exchange resins at a sufficient moisture level so as not to reduce the migration speed of the iodine and alkyl iodides. The iodine and alkyl iodide can be produced with high efficiency and stability independently of the relative humidity of the gas phase. In examples, a solution which consists of 20.5 mg/l of iodine and 42.2mg/l of methyl iodide flew through a column of Amberite IRA-93 alone or blended with IRA-900 at a speed of 15 /hr. respectively. The resins were able to treat 400 times their equivalent in water. (Iwakiri, K.)

Comprehensive Peptide Ion Structure Studies Using Ion Mobility Techniques: Part 3. Relating Solution-Phase to Gas-Phase Structures.

Science.gov (United States)

Kondalaji, Samaneh Ghassabi; Khakinejad, Mahdiar; Valentine, Stephen J

2018-06-01

Molecular dynamics (MD) simulations have been utilized to study peptide ion conformer establishment during the electrospray process. An explicit water model is used for nanodroplets containing a model peptide and hydronium ions. Simulations are conducted at 300 K for two different peptide ion charge configurations and for droplets containing varying numbers of hydronium ions. For all conditions, modeling has been performed until production of the gas-phase ions and the resultant conformers have been compared to proposed gas-phase structures. The latter species were obtained from previous studies in which in silico candidate structures were filtered according to ion mobility and hydrogen-deuterium exchange (HDX) reactivity matches. Results from the present study present three key findings namely (1) the evidence from ion production modeling supports previous structure refinement studies based on mobility and HDX reactivity matching, (2) the modeling of the electrospray process is significantly improved by utilizing initial droplets existing below but close to the calculated Rayleigh limit, and (3) peptide ions in the nanodroplets sample significantly different conformers than those in the bulk solution due to altered physicochemical properties of the solvent. Graphical Abstract ᅟ.

Landmine research: technology solutions looking for problems

Science.gov (United States)

Trevelyan, James P.

2004-09-01

The global landmine problem came to the attention of researchers in the mid 1990's and by 1997 several advanced and expensive sensor research programs had started. Yet, by the end of 2003, there is little sign of a major advance in the technology available to humanitarian demining programs. Given the motivation and dedication of researchers, public goodwill to support such programs, and substantial research resources devoted to the problem, it is worth asking why these programs do not seem to have had an impact on demining costs or casualty rates. Perhaps there are factors that have been overlooked. This paper reviews several research programs to gain a deeper understanding of the problem. A possible explanation is that researchers have accepted mistaken ideas on the nature of the landmine problems that need to be solved. The paper provides several examples where the realities of minefield conditions are quite different to what researchers have been led to believe. Another explanation may lie in the political and economic realities that drive the worldwide effort to eliminate landmines. Most of the resources devoted to landmine clearance programs come from humanitarian aid budgets: landmine affected countries often contribute only a small proportion because they have different priorities based on realistic risk-based assessment of needs and political views of local people. Some aid projects have been driven by the need to find a market for demining technologies rather than by user needs. Finally, there is a common misperception that costs in less developed countries are intrinsically low, reflecting low rates paid for almost all classes of skilled labour. When actual productivity is taken into account, real costs can be higher than industrialized countries. The costs of implementing technological solutions (even using simple technologies) are often significantly under-estimated. Some political decisions may have discouraged thorough investigation of cost

Theoretical study of phase behaviour of DLVO model for lysozyme and γ-crystalline aqueous electrolyte solutions

Directory of Open Access Journals (Sweden)

R. Melnyk

2015-03-01

Full Text Available Mean spherical approximation (MSA, second-order Barker-Henderson (BH perturbation theory and thermodynamic perturbation theory (TPT for associating fluids in combination with BH perturbation theory are applied to the study of the structural properties and phase behaviour of the Derjaguin-Landau-Verwey-Overbeek (DLVO model of lysozyme and γ-cristalline aqueous electrolyte solutions. Predictions of the MSA for the structure factors are in good agreement with the corresponding computer simulation predictions. The agreement between theoretical results for the liquid-gas phase diagram and the corresponding results of the experiment and computer simulation is less satisfactory, with predictions of the combined BH-TPT approach being the most accurate.

Comparative study of solute trapping and Gibbs free energy changes at the phase interface during alloy solidification under local nonequilibrium conditions

Energy Technology Data Exchange (ETDEWEB)

Sobolev, S. L., E-mail: sobolev@icp.ac.ru [Russian Academy of Sciences, Institute of Problems of Chemical Physics (Russian Federation)

2017-03-15

An analytical model has been developed to describe the influence of solute trapping during rapid alloy solidification on the components of the Gibbs free energy change at the phase interface with emphasis on the solute drag energy. For relatively low interface velocity V < V{sub D}, where V{sub D} is the characteristic diffusion velocity, all the components, namely mixing part, local nonequilibrium part, and solute drag, significantly depend on solute diffusion and partitioning. When V ≥ V{sub D}, the local nonequilibrium effects lead to a sharp transition to diffusionless solidification. The transition is accompanied by complete solute trapping and vanishing solute drag energy, i.e. partitionless and “dragless” solidification.

Investigation into isomolar series of Al(NO3)3, Na3VO4 solution mixture and composition of solid phases

International Nuclear Information System (INIS)

Chernysh, L.F.; Nakhodnova, A.P.; Makarova, R.A.

1979-01-01

Conducted is investigation of properties of isomolar series of aluminium nitrate and sodiUm vanadate solutions at pH of the latter 12.5; 10.0; 7.0 and the temperature of 25 deg C using the methods of pH-metry, conductometry, ''seeming'' volume of precipitations, residual concentration of aluminium and vanadium. It is shown, that the composition property diagram of the system investigated does not reflect the true composition of solid-phase products of the reaction, which depends on the component ratio in solution. Bottom phases of isomolar series are mainly heterogeneous. At the excess of sodium vanadate solution and its high pH values conditions for the basic salt formation are created. At pH of the Na 3 VO 4 solution of 12.5 and 10.0 and Al(NO 3 ) 3 : Na 3 VO 4 ratios 4:6 and 3:7 respectively obtained are the basic aluminium vanadates of the (AlOH) 3 (VO 4 ) 2 x 7.5H 2 O and (AlOH) 2 V 2 O 7 x5H 2 O composition, some of their physicochemical properties being investigated

Structural and phase transition changes of sodium dodecyl sulfate micellar solution in alcohols probed by small-angle neutron scattering (SANS)

Energy Technology Data Exchange (ETDEWEB)

Putra, Edy Giri Rachman [Neutron Scattering Laboratory, National Nuclear Energy Agency of Indonesia (BATAN), Gedung 40 BATAN, Kawasan Puspiptek Serpong, Tangerang 15314 (Indonesia); Patriati, Arum [Neutron Scattering Laboratory, National Nuclear Energy Agency of Indonesia (BATAN), Gedung 40 BATAN, Kawasan Puspiptek Serpong, Tangerang 15314 (Indonesia); Department of Chemistry, Faculty of Mathematics and Natural Sciences, University of Gadjah Mada, Bulaksumur, Yogyakarta 55281, Indonesia giri@batan.go.id (Indonesia)

2015-04-16

Small-angle neutron scattering (SANS) measurements on 0.3M sodium dodecyl sulfate (SDS) micellar solutions have been performed in the presence of n-alcohols, from ethanol to decanol at different alcohol concentrations, 2–10 wt%. The ellipsoid micellar structure which occurred in the 0.3M SDS in aqueous solution with the size range of 30–50 Å has different behavior at various hydrocarbon chain length and concentration of alcohols. At low concentration and short chain-length of alcohols, such as ethanol, propanol, and butanol, the size of micelles reduced and had a spherical-like structure. The opposite effect occurred as medium to long chain alcohols, such as hexanol, octanol and decanol was added into the 0.3M SDS micellar solutions. The micelles structure changed to be more elongated in major axis and then crossed the critical phase transition from micellar solution into liquid crystal phase as lamellar structure emerged by further addition of alcohols. The inter-lamellar distances were also depending on the hydrocarbon chain length and concentration of alcohols. In the meantime, the persistent micellar structures occurred in addition of medium chain of n-alcohol, pentanol at all concentrations.

Structural and phase transition changes of sodium dodecyl sulfate micellar solution in alcohols probed by small-angle neutron scattering (SANS)

International Nuclear Information System (INIS)

Putra, Edy Giri Rachman; Patriati, Arum

2015-01-01

Small-angle neutron scattering (SANS) measurements on 0.3M sodium dodecyl sulfate (SDS) micellar solutions have been performed in the presence of n-alcohols, from ethanol to decanol at different alcohol concentrations, 2–10 wt%. The ellipsoid micellar structure which occurred in the 0.3M SDS in aqueous solution with the size range of 30–50 Å has different behavior at various hydrocarbon chain length and concentration of alcohols. At low concentration and short chain-length of alcohols, such as ethanol, propanol, and butanol, the size of micelles reduced and had a spherical-like structure. The opposite effect occurred as medium to long chain alcohols, such as hexanol, octanol and decanol was added into the 0.3M SDS micellar solutions. The micelles structure changed to be more elongated in major axis and then crossed the critical phase transition from micellar solution into liquid crystal phase as lamellar structure emerged by further addition of alcohols. The inter-lamellar distances were also depending on the hydrocarbon chain length and concentration of alcohols. In the meantime, the persistent micellar structures occurred in addition of medium chain of n-alcohol, pentanol at all concentrations

Polarographic behaviour and determination of uranium(VI) in alcoholic solutions from organic extraction phases

International Nuclear Information System (INIS)

Degueldre, C.; Taibi, K.

1996-01-01

The determination of U(VI) in organic extraction phases: hydrocarbon-diethyl-2-hexyl phosphoric acid-trioctylphosphine oxide and hydrocarbon-tri-n-octylamine, diluted by an alcohol has been studied by direct current polarography, as well as by differential pulse polarography (DPP). In order to optimise the analytical procedure, miscibility and conductivity studies of the mixtures hydrocarbon-alcohol (ethanol, n- and isopropanol and n- and isobutanol) were made after addition of sulphuric acid as a supporting electrolyte. In the solutions of sulphuric acid in the alcohol-extractant-hydrocarbon phases, U(VI) gives rise to well defined polarograms. Its electroreduction involves a single electron step in all cases. The DPP peak height is proportional to the U(VI) concentration between 2x10 -6 and 2x10 -3 M, and the 3σ detection limit is ca. 10 -6 M

Defense Small Business Innovation Research Program (SBIR). Abstracts of Phase 2 Awards, 1984.

Science.gov (United States)

165 proposals for funding in Phase II of the Small Business Innovation Research (SBIR) Program. These proposals were selected from those submitted by... small research and development firms awarded Phase I contracts from the FY 1984 solicitation. In order to make information available on the technical

Sample-averaged biexciton quantum yield measured by solution-phase photon correlation.

Science.gov (United States)

Beyler, Andrew P; Bischof, Thomas S; Cui, Jian; Coropceanu, Igor; Harris, Daniel K; Bawendi, Moungi G

2014-12-10

The brightness of nanoscale optical materials such as semiconductor nanocrystals is currently limited in high excitation flux applications by inefficient multiexciton fluorescence. We have devised a solution-phase photon correlation measurement that can conveniently and reliably measure the average biexciton-to-exciton quantum yield ratio of an entire sample without user selection bias. This technique can be used to investigate the multiexciton recombination dynamics of a broad scope of synthetically underdeveloped materials, including those with low exciton quantum yields and poor fluorescence stability. Here, we have applied this method to measure weak biexciton fluorescence in samples of visible-emitting InP/ZnS and InAs/ZnS core/shell nanocrystals, and to demonstrate that a rapid CdS shell growth procedure can markedly increase the biexciton fluorescence of CdSe nanocrystals.

Excited-state dynamics of a ruthenium(II) catalyst studied by transient photofragmentation in gas phase and transient absorption in solution

Energy Technology Data Exchange (ETDEWEB)

Imanbaew, D.; Nosenko, Y. [Fachbereich Chemie, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 52–54, 67663 Kaiserslautern (Germany); Forschungszentrum OPTIMAS, Erwin-Schrödinger-Str. 46, 67663 Kaiserslautern (Germany); Kerner, C. [Fachbereich Chemie, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 52–54, 67663 Kaiserslautern (Germany); Chevalier, K.; Rupp, F. [Fachbereich Physik, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 46, 67663 Kaiserslautern (Germany); Riehn, C., E-mail: riehn@chemie.uni-kl.de [Fachbereich Chemie, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 52–54, 67663 Kaiserslautern (Germany); Forschungszentrum OPTIMAS, Erwin-Schrödinger-Str. 46, 67663 Kaiserslautern (Germany); Thiel, W.R. [Fachbereich Chemie, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 52–54, 67663 Kaiserslautern (Germany); Diller, R. [Fachbereich Physik, Technische Universität Kaiserslautern, Erwin-Schrödinger-Str. 46, 67663 Kaiserslautern (Germany)

2014-10-17

Graphical abstract: - Highlights: • Ultrafast dynamics of new Ru(II) catalysts investigated in gas phase and solution. • Catalyst activation (HCl loss) achieved in ion trap by UV photoexcitation. • Electronic relaxation proceeds by IVR and IC followed by ground state dissociation. • No triplet formation in contrast to other Ru-polypyridine complexes. • Solvent prohibits catalyst activation in solution by fast vibrational cooling. - Abstract: We report studies on the excited state dynamics of new ruthenium(II) complexes [(η{sup 6}-cymene)RuCl(apypm)]PF{sub 6} (apypm=2-NR{sub 2}-4-(pyridine-2-yl)-pyrimidine, R=CH{sub 3} (1)/H (2)) which, in their active form [1{sup +}-HCl] and [2{sup +}-HCl], catalyze the transfer hydrogenation of arylalkyl ketones in the absence of a base. The investigations encompass femtosecond pump–probe transient mass spectrometry under isolated conditions and transient absorption spectroscopy in acetonitrile solution, both on the cations [(η{sup 6}-cymene)RuCl(apypm)]{sup +} (1{sup +}, 2{sup +}). Gas phase studies on mass selected ions were performed in an ESI ion trap mass spectrometer by transient photofragmentation, unambiguously proving the formation of the activated catalyst species [1{sup +}-HCl] or [2{sup +}-HCl] after photoexcitation being the only fragmentation channel. The primary excited state dynamics in the gas phase could be fitted to a biexponential decay, yielding time constants of <100 fs and 1–3 ps. Transient absorption spectroscopy performed in acetonitrile solution using femtosecond UV/Vis and IR probe laser pulses revealed additional deactivation processes on longer time scales (∼7–12 ps). However, the formation of the active catalyst species after photoexcitation could not be observed in solution. The results from both studies are compared to former CID investigations and DFT calculations concerning the activation mechanism.

Statistical solutions of the Navier endash Stokes equations on the phase space of vorticity and the inviscid limits

International Nuclear Information System (INIS)

Constantin, P.; Wu, J.

1997-01-01

Using the methods of Foias [Sem. Math. Univ. Padova 48, 219 endash 343 (1972); 49, 9 endash 123 (1973)] and Vishik endash Fursikov [Mathematical Problems of Statistical Hydromechanics (Kluwer, Dordrecht, 1988)], we prove the existence and uniqueness of both spatial and space endash time statistical solutions of the Navier endash Stokes equations on the phase space of vorticity. Here the initial vorticity is in Yudovich space and the initial measure has finite mean enstrophy. We show under further assumptions on the initial vorticity that the statistical solutions of the Navier endash Stokes equations converge weakly and the inviscid limits are the corresponding statistical solutions of the Euler equations. copyright 1997 American Institute of Physics

Theory and modeling of microstructural evolution in polycrystalline materials: Solute segregation, grain growth and phase transformations

Science.gov (United States)

Ma, Ning

2005-11-01

To accurately predict microstructure evolution and, hence, to synthesis metal and ceramic alloys with desirable properties involves many fundamental as well as practical issues. In the present study, novel theoretical and phase field approaches have been developed to address some of these issues including solute drag and segregation transition at grain boundaries and dislocations, grain growth in systems of anisotropic boundary properties, and precipitate microstructure development in polycrystalline materials. The segregation model has allowed for the prediction of a first-order segregation transition, which could be related to the sharp transition of solute concentration of grain boundary as a function of temperature. The incorporating of interfacial energy and mobility as functions of misorientation and inclination in the phase field model has allowed for the study of concurrent grain growth and texture evolution. The simulation results were analyzed using the concept of local grain boundary energy density, which simplified significantly the development of governing equations for texture controlled grain growth in Ti-6Al-4V. Quantitative phase field modeling techniques have been developed by incorporating thermodynamic and diffusivity databases. The models have been validated against DICTRA simulations in simple 1D problems and applied to simulate realistic microstructural evolutions in Ti-6Al-4V, including grain boundary a and globular a growth and sideplate development under both isothermal aging and continuous cooling conditions. The simulation predictions agree well with experimental observations.

Program of experiments for the operating phase of the Underground Research Laboratory

International Nuclear Information System (INIS)

Simmons, G.R.; Bilinsky, D.M.; Davison, C.C.; Gray, M.N.; Kjartanson, B.H.; Martin, C.D.; Peters, D.A.; Lang, P.A.

1992-09-01

The Underground Research Laboratory (URL) is one of the major research and development facilities that AECL Research has constructed in support of the Canadian Nuclear Fuel Waste Management Program. The URL is a unique geotechnical research facility constructed in previously undisturbed plutonic rock, which was well characterized before construction. The site evaluation and construction phases of the URL project have been completed and the operating phase is beginning. A program of operating phase experiments that address AECL's objectives for in situ testing has been selected. These experiments were subjected to an external peer review and a subsequent review by the URL Experiment Committee in 1989. The comments from the external peer review were incorporated into the experiment plans, and the revised experiments were accepted by the URL Experiment Committee. Summaries of both reviews are presented. The schedule for implementing the experiments and the quality assurance to be applied during implementation are also summarized. (Author) (9 refs., 11 figs.)

Solid-state transformation of Fe-rich intermetallic phases in Al–5.0Cu–0.6Mn squeeze cast alloy with variable Fe contents during solution heat treatment

Energy Technology Data Exchange (ETDEWEB)

Lin, Bo [School of Mechanical and Automotive Engineering, South China University of Technology, Guangzhou 510640 (China); School of Mechanical Engineering, Gui Zhou University, Guiyang 550000 (China); Zhang, Weiwen, E-mail: mewzhang@scut.edu.cn [School of Mechanical and Automotive Engineering, South China University of Technology, Guangzhou 510640 (China); Zhao, Yuliang; Li, Yuanyuan [School of Mechanical and Automotive Engineering, South China University of Technology, Guangzhou 510640 (China)

2015-06-15

The Al–5.0 wt.% Cu–0.6 wt.% Mn alloys with a variable Fe content were prepared by squeeze casting. Optical microscopy (OM), Deep etching technique, scanning electron microscopy(SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to examine the solid-state transformation of Fe-rich intermetallics during the solution heat treatment. The results showed that the Chinese script-like α-Fe, Al{sub 6}(FeMn) and needle-like Al{sub 3}(FeMn) phases transform to a new Cu-rich β-Fe (Al{sub 7}Cu{sub 2}(FeMn)) phase during solution heat treatment. The possible reaction and overall transformation kinetics of the solid-state phase transformation for the Fe-rich intermetallics were investigated. - Graphical abstract: Display Omitted - Highlights: • The α-Fe, Al{sub 6}(FeMn) and Al{sub 3}(FeMn) phases change to the β-Fe phases. • Possible reactions of Fe phases during solution heat treatment are discussed. • The overall fractional transformation rate follows an Avrami curve.

Liquid-phase epitaxy of InGaAsP solid solutions on profiled substrates of InP(100)

International Nuclear Information System (INIS)

Dvoryankin, V.F.; Kaevitser, L.R.; Komarov, A.A.; Telegin, A.A.; Khusid, L.B.; Chernushin, M.D.

1990-01-01

Peculiarities of selective growth of InGaAsP solid solutions under liquid-phase epitaxy in shallow grooves are considered. InGaAsP crystals grown in grooves oriented along crystallografic [110] and [011] directions are determined to trend to equilibrium form under two-phase epitaxy, while wedge-shaped form of In 0.77 Ga 0.23 As 0.53 P 0.45 and In 0.53 P o.45 and IN 0.59 Ga 0.41 As 0.83 P 0.12 epitaxial layers obtained in grooves is determined by their composition only and does not depend on groove configuration

Underlying chemistry research for the nuclear fuel waste management program

International Nuclear Information System (INIS)

Torgerson, D.F.; Sagert, N.H.; Shoesmith, D.W.; Taylor, P.

1984-04-01

This document reviews the underlying chemistry research part of the Canadian Nuclear Fuel Waste Management Program, carried out in the Research Chemistry Branch. This research is concerned with developing the basic chemical knowledge and under-standing required in other parts of the Program. There are four areas of underlying research: Waste Form Chemistry, Solute and Solution Chemistry, Rock-Water-Waste Interactions, and Abatement and Monitoring of Gas-Phase Radionuclides

The use of linear expressions of solute boiling point versus retention to indicate special interactions with the molecular rings of modified cyclodextrin phases in gas chromatography

Science.gov (United States)

Betts

2000-08-01

The boiling points (degrees C, 1 x 10) of diverse C10 polar solutes from volatile oils are set against their relative retention times versus n-undecane to calculate linear equations for 12 commercial modified cyclodextrin (CD) capillary phases. Ten data points are considered for each CD, then solutes are rejected until 5 or more remain that give an expression with a correlation coefficient of at least 0.990 and a standard deviation of less than 5.5. Three phases give almost perfect correlation, and 3 other CDs have difficulty complying. Solutes involved in the equations (most frequently cuminal, linalol, and carvone) are presumed to have a 'standard' polar transient interaction with the molecular rings of the CDs concerned. Several remaining solutes (mostly citral, fenchone, and menthol) exhibit extra retention over the calculated standard (up to 772%), which is believed to indicate a firm 'host' CD or 'guest' solute molecular fit in some cases. Other solutes show less retention than calculated (mostly citronellal, citronellol, estragole, and pulegone). This suggests rejection by the CD, which behaves merely as a conventional stationary phase to them. The intercept constant in the equation for each phase is suggested to be a numerical relative polarity indicator. These b values indicate that 3 hydroxypropyl CDs show the most polarity with values from 28 to 43; and CDs that are fully substituted with inert groups fall in the range of 15 to 20.

The salting-out effect and phase separation in aqueous solutions of tri-sodium citrate and 1-butyl-3-methylimidazolium bromide

Energy Technology Data Exchange (ETDEWEB)

Sadeghi, Rahmat, E-mail: rsadeghi@uok.ac.i [Department of Chemistry, University of Kurdistan, Sanandaj (Iran, Islamic Republic of); Golabiazar, Roonak [Department of Chemistry, University of Kurdistan, Sanandaj (Iran, Islamic Republic of); Shekaari, Hemayat [Department of Chemistry, Faculty of Science, University of Mohaghegh Ardabili, Ardabil (Iran, Islamic Republic of)

2010-04-15

The aim of this work is to obtain further evidence about the salting-out effect produced by the addition of tri-sodium citrate to aqueous solutions of water miscible ionic liquid 1-butyl-3-methylimidazolium bromide ([C{sub 4}mim][Br]) by evaluating the effect of tri-sodium citrate on the thermodynamic properties of aqueous solutions of this ionic liquid. Experimental measurements of density and sound velocity at different temperatures ranging from (288.15 to 308.15) K, the refractive index at 308.15 K and the liquid-liquid phase diagram at different temperatures ranging from (288.15 to 338.15) K for aqueous solutions containing 1-butyl-3-methylimidazolium bromide ([C{sub 4}mim][Br]) and tri-sodium citrate (Na{sub 3}Cit) are taken. The apparent molar volume of transfer of [C{sub 4}mim][Br] from water to aqueous solutions of Na{sub 3}Cit have positive values and it increases by increasing salt molality. Although at high IL molality, the apparent molar isentropic compressibility shows similar behaviour with that of the apparent molar volume. However at low concentrations of IL, the apparent molar isentropic compressibility of transfer of [C{sub 4}mim][Br] from water to aqueous solutions of Na{sub 3}Cit have negative values. The effects of temperature and the addition of Na{sub 3}Cit and [C{sub 4}mim][Br] on the liquid-liquid phase diagram of the investigated system have been studied. It was found that an increase in temperature caused the expansion of the one-phase region. The presence of Na{sub 3}Cit triggers a salting-out effect, leading to significant upward shifts of the liquid-liquid de-mixing temperatures of the system. The effect of temperature on the phase-forming ability in the system investigated has been studied based on a salting-out coefficient obtained from fitting the binodal values to a Setschenow-type equation for each temperature. Based on cloud point values, the energetics of the clouding process have been estimated and it was found that both of

Low temperature kinetics of In-Cd solid solution decomposition

Czech Academy of Sciences Publication Activity Database

Pal-Val, P.P.; Pal-Val, L.N.; Ostapovets, A.A.; Vaněk, Přemysl

2008-01-01

Roč. 137, - (2008), s. 35-42 ISSN 1012-0394 Institutional research plan: CEZ:AV0Z10100520 Keywords : low temperatures * In-based alloys * solid solutions * isothermal structure instability * Young's modulus * electrical resistivity * phase diagrams Subject RIV: BM - Solid Matter Physics ; Magnetism http://www.scientific.net/3-908451-53-1/35/

Conducting Biobehavioral Research in Patients With Advanced Cancer: Recruitment Challenges and Solutions.

Science.gov (United States)

Gilbertson-White, Stephanie; Bohr, Nicole; Wickersham, Karen E

2017-10-01

Despite significant advances in cancer treatment and symptom management interventions over the last decade, patients continue to struggle with cancer-related symptoms. Adequate baseline and longitudinal data are crucial for designing interventions to improve patient quality of life and reduce symptom burden; however, recruitment of patients with advanced cancer in longitudinal research is difficult. Our purpose is to describe challenges and solutions to recruitment of patients with advanced cancer in two biobehavioral research studies examining cancer-related symptoms. Study 1: Symptom data and peripheral blood for markers of inflammation were collected from newly diagnosed patients receiving chemotherapy on the first day of therapy and every 3-4 weeks for up to 6 months. Study 2: Symptom data, blood, and skin biopsies were collected from cancer patients taking epidermal growth factor receptor inhibitors at specific time points over 4 months. Screening and recruitment results for both studies are summarized. Timing informed consent with baseline data collection prior to treatment initiation was a significant recruitment challenge for both the studies. Possible solutions include tailoring recruitment to fit clinic needs, increasing research staff availability during clinic hours, and adding recruitment sites. Identifying solutions to these challenges will permit the conduct of studies that may lead to identification of factors contributing to variability in symptoms and development of tailored patient interventions for patients with advanced cancer.

Solution and gas phase evidence of anion binding through the secondary bonding interactions of a bidentate bis-antimony(iii) anion receptor.

Science.gov (United States)

Qiu, J; Song, B; Li, X; Cozzolino, A F

2017-12-20

The solution and gas phase halide binding to a bis-antimony(iii) anion receptor was studied. This new class of anion receptors utilizes the strong Sb-centered secondary bonding interactions (SBIs) that are formed opposite to the polar Sb-O primary bond. 1 H NMR titration data were fitted statistically to binding models and solution-phase binding energetics were extracted, while the formation of anion-to-receptor complexes was observed using ESI-MS. Density functional theory calculations suggest that their affinity towards binding halide anions is mitigated by the strong explicit solvation effect in DMSO, which gives insights into future designs that circumvent direct solvent binding and are anticipated to yield tighter and perhaps more selectivity in anion binding.

Hydro-dynamic Solute Transport under Two-Phase Flow Conditions.

Science.gov (United States)

Karadimitriou, Nikolaos K; Joekar-Niasar, Vahid; Brizuela, Omar Godinez

2017-07-26

There are abundant examples of natural, engineering and industrial applications, in which "solute transport" and "mixing" in porous media occur under multiphase flow conditions. Current state-of-the-art understanding and modelling of such processes are established based on flawed and non-representative models. Moreover, there is no direct experimental result to show the true hydrodynamics of transport and mixing under multiphase flow conditions while the saturation topology is being kept constant for a number of flow rates. With the use of a custom-made microscope, and under well-controlled flow boundary conditions, we visualized directly the transport of a tracer in a Reservoir-on-Chip (RoC) micromodel filled with two immiscible fluids. This study provides novel insights into the saturation-dependency of transport and mixing in porous media. To our knowledge, this is the first reported pore-scale experiment in which the saturation topology, relative permeability, and tortuosity were kept constant and transport was studied under different dynamic conditions in a wide range of saturation. The critical role of two-phase hydrodynamic properties on non-Fickian transport and saturation-dependency of dispersion are discussed, which highlight the major flaws in parametrization of existing models.

Facile room-temperature solution-phase synthesis of a spherical covalent organic framework for high-resolution chromatographic separation.

Science.gov (United States)

Yang, Cheng-Xiong; Liu, Chang; Cao, Yi-Meng; Yan, Xiu-Ping

2015-08-07

A simple and facile room-temperature solution-phase synthesis was developed to fabricate a spherical covalent organic framework with large surface area, good solvent stability and high thermostability for high-resolution chromatographic separation of diverse important industrial analytes including alkanes, cyclohexane and benzene, α-pinene and β-pinene, and alcohols with high column efficiency and good precision.

Research ICT Africa (RIA!) - phase III | CRDI - Centre de recherches ...

International Development Research Centre (IDRC) Digital Library (Canada)

Research ICT Africa (RIA!) - phase III. Depuis la création du réseau RIA! en 2003, ses responsables ont mené avec succès des études portant tant sur l'offre que sur la demande afin de permettre de mieux comprendre l'accès aux TIC et leur utilisation en Afrique. Au cours des deux premières phases du projet (nos 101584 ...

Opalescence in monoclonal antibody solutions and its correlation with intermolecular interactions in dilute and concentrated solutions.

Science.gov (United States)

Raut, Ashlesha S; Kalonia, Devendra S

2015-04-01

Opalescence indicates physical instability of a formulation because of the presence of aggregates or liquid-liquid phase separation in solution and has been reported for monoclonal antibody (mAb) formulations. Increased solution opalescence can be attributed to attractive protein-protein interactions (PPIs). Techniques including light scattering, AUC, or membrane osmometry are routinely employed to measure PPIs in dilute solutions, whereas opalescence is seen at relatively higher concentrations, where both long- and short-range forces contribute to overall PPIs. The mAb molecule studied here shows a unique property of high opalescence because of liquid-liquid phase separation. In this study, opalescence measurements are correlated to PPIs measured in diluted and concentrated solutions using light scattering (kD ) and high-frequency rheology (G'), respectively. Charges on the molecules were calculated using zeta potential measurements. Results indicate that high opalescence and phase separation are a result of the attractive interactions in solution; however, the presence of attractive interactions do not always imply phase separation. Temperature dependence of opalescence suggests that thermodynamic contribution to opalescence is significant and Tcloud can be utilized as a potential tool to assess attractive interactions in solution. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

High temperature aqueous potassium and sodium phosphate solutions: two-liquid-phase boundaries and critical phenomena, 275-4000C; potential applications for steam generators

International Nuclear Information System (INIS)

Marshall, W.L.

1981-12-01

Two-liquid-phase boundaries at temperatures between 275 and 400 0 C were determined for potassium phosphate and sodium phosphate aqueous solutions for compositions from 0 to 60 wt % dissolved salt. The stoichiometric mole ratios, K/PO 4 or Na/PO 4 , were varied from 1.00 to 2.12 and from 1.00 to 2.16 for the potassium and sodium systems, respectively. Liquid-vapor critical temperatures were also determined for most of the dilute liquid phases that formed. The minimum temperatures (below which a single solution existed) of two-liquid-phase formation were 360 0 C for the potassium system and 279 0 C for the sodium system at mole ratios of 2.00 and 2.16, respectively. For the sodium system at mole ratios greater than 2.16, solids crystallized at lower temperatures as expected from earlier studies. In contrast, potassium solutions that were explored at mole ratios from 2.12 to 3.16 and at temperatures below 360 0 C did not produce solid phases nor liquid-liquid immiscibilities. Aside from the generally unusual observations of two immiscible liquids in an aqueous inorganic salt system, the results could possibly be applied to the use of phosphate additives in steam power generators. 16 refs

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

Science.gov (United States)

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.

Technical project for a new water purification solution

Directory of Open Access Journals (Sweden)

Toma Adina

2018-01-01

Full Text Available This research is part of the RO-BG Cross-Border Cooperation Program, project “CLEANDANUBE”, MIS-ETC 653, which has finalised by providing a common strategy to prevent the Danube’s pollution technological risks with oil and oil products. This paper presents a new sustainable water purification solution. A short introduction will be offered and an overview regarding the research and new methods to greening the waste is provided. The theoretical aspects of the centrifugal separation phenomenon are studied and the preliminary project bases were established. The paper conveys the possible constructive variations and the technological implications of those. Ultimately, the technical project for a new water purification solution and conclusions with critical points encountered during the designing phase are presented.

Ultrafast excited-state relaxation of a binuclear Ag(i) phosphine complex in gas phase and solution.

Science.gov (United States)

Kruppa, S V; Bäppler, F; Klopper, W; Walg, S P; Thiel, W R; Diller, R; Riehn, C

2017-08-30

The binuclear complex [Ag 2 (dcpm) 2 ](PF 6 ) 2 (dcpm = bis(dicyclohexylphosphino)methane) exhibits a structure with a close silver-silver contact mediated by the bridging ligand and thus a weak argentophilic interaction. Upon electronic excitation this cooperative effect is strongly increased and determines the optical and luminescence properties of the compound. We have studied here the ultrafast electronic dynamics in parallel in gas phase by transient photodissociation and in solution by transient absorption. In particular, we report the diverse photofragmentation pathways of isolated [Ag 2 (dcpm) 2 ] 2+ in an ion trap and its gas phase UV photodissociation spectrum. By pump-probe fragmentation action spectroscopy (λ ex = 260 nm) in the gas phase, we have obtained fragment-specific transients which exhibit a common ultrafast multiexponential decay. This is fitted to four time constants (0.6/5.8/100/>1000 ps), highlighting complex intrinsic photophysical processes. Remarkably, multiexponential dynamics (0.9/8.5/73/604 ps) are as well found for the relaxation dynamics in acetonitrile solution. Ab initio calculations at the level of approximate coupled-cluster singles-doubles (CC2) theory of ground and electronically excited states of the reduced model system [Ag 2 (dmpm) 2 ] 2+ (dmpm = bis(dimethylphosphino)methane) indicate a shortening of the Ag-Ag distance upon excitation by 0.3-0.4 Å. In C 2 geometry two close-lying singlet states S 1 ( 1 MC(dσ*-pπ), 1 B, 4.13 eV) and S 2 ( 1 MC(dσ*-pσ), 1 A, 4.45 eV) are found. The nearly dark S 1 state has not been reported so far. The excitation of the S 2 state carries a large oscillator strength for the calculated vertical transition (266 nm). Two related triplets are calculated at T 1 (3.87 eV) and T 2 (3.90 eV). From these findings we suggest possible relaxation pathways with the two short time constants ascribed to ISC/IVR and propose from the obtained similar values in gas phase that the fast solution dynamics

Research on effects of phase error in phase-shifting interferometer

Science.gov (United States)

Wang, Hongjun; Wang, Zhao; Zhao, Hong; Tian, Ailing; Liu, Bingcai

2007-12-01

Referring to phase-shifting interferometry technology, the phase shifting error from the phase shifter is the main factor that directly affects the measurement accuracy of the phase shifting interferometer. In this paper, the resources and sorts of phase shifting error were introduction, and some methods to eliminate errors were mentioned. Based on the theory of phase shifting interferometry, the effects of phase shifting error were analyzed in detail. The Liquid Crystal Display (LCD) as a new shifter has advantage as that the phase shifting can be controlled digitally without any mechanical moving and rotating element. By changing coded image displayed on LCD, the phase shifting in measuring system was induced. LCD's phase modulation characteristic was analyzed in theory and tested. Based on Fourier transform, the effect model of phase error coming from LCD was established in four-step phase shifting interferometry. And the error range was obtained. In order to reduce error, a new error compensation algorithm was put forward. With this method, the error can be obtained by process interferogram. The interferogram can be compensated, and the measurement results can be obtained by four-step phase shifting interferogram. Theoretical analysis and simulation results demonstrate the feasibility of this approach to improve measurement accuracy.

Liquid-liquid phase separation in dilute solutions of poly(styrene sulfonate) with multivalent cations: Phase diagrams, chain morphology, and impact of temperature

Science.gov (United States)

Hansch, Markus; Hämisch, Benjamin; Schweins, Ralf; Prévost, Sylvain; Huber, Klaus

2018-01-01

The dilute solution behavior of sodium poly(styrene sulfonate) is studied in the presence of trivalent Al3+ and bivalent Ba2+ cations at various levels of excess NaCl. The study evaluates the phase behavior and the morphology of the polyelectrolyte chains with increasing extent of decoration with the Al3+ and Ba2+ cations and analyses the effect of temperature on these decorated chains. The phase behavior is presented in the form of the cation concentration versus the respective poly(styrene sulfonate) concentration, recorded at the onset of precipitation. Whereas poly(styrene sulfonate) with Al3+ exhibits a linear phase boundary, denoted as the "threshold line," which increases with increasing poly(styrene sulfonate) concentration, Ba2+ cations show a threshold line which is independent of the poly(styrene sulfonate) concentration. An additional re-entrant phase, at considerably higher cation content than those of the threshold lines, is observed with Al3+ cations but not with Ba2+ cations. The threshold line and the re-entrant phase boundary form parts of the liquid-liquid phase boundary observed at the limit of low polymer concentration. The dimensions of the polyelectrolyte chains shrink considerably while approaching the respective threshold lines on increase of the Al3+ and Ba2+ cation content. However, subtle differences occur between the morphological transformation induced by Al3+ and Ba2+. Most strikingly, coils decorated with Al3+ respond very differently to temperature variations than coils decorated with Ba2+ do. As the temperature increases, the poly(styrene sulfonate) chains decrease their size in the presence of Al3+ cations but increase in size in the presence of Ba2+ cations.

Relating hydrogen-bonding interactions with the phase behavior of naproxen/PVP K 25 solid dispersions: evaluation of solution-cast and quench-cooled films.

Science.gov (United States)

Paudel, Amrit; Nies, Erik; Van den Mooter, Guy

2012-11-05

In this work, we investigated the relationship between various intermolecular hydrogen-bonding (H-bonding) interactions and the miscibility of the model hydrophobic drug naproxen with the hydrophilic polymer polyvinylpyrrolidone (PVP) across an entire composition range of solid dispersions prepared by quasi-equilibrium film casting and nonequilibrium melt quench cooling. The binary phase behavior in solid dispersions exhibited substantial processing method dependence. The solid state solubility of crystalline naproxen in PVP to form amorphous solid dispersions was 35% and 70% w/w naproxen in solution-cast films and quench-cooled films, respectively. However, the presence of a single mixed phase glass transition indicated the amorphous miscibility to be 20% w/w naproxen for the films, beyond which amorphous-amorphous and/or crystalline phase separations were apparent. This was further supported by the solution state interactions data such as PVP globular size distribution and solution infrared spectral profiles. The borderline melt composition showed cooling rate dependence of amorphization. The glass transition and melting point depression profiles of the system were treated with the analytical expressions based on Flory-Huggins mixing theory to interpolate the equilibrium solid solubility. FTIR analysis and subsequent spectral deconvolution revealed composition and miscibility dependent variations in the strength of drug-polymer intermolecular H-bonding. Two types of H-bonded populations were evidenced from 25% w/w and 35% w/w naproxen in solution-cast films and quench-cooled films, respectively, with the higher fraction of strongly H-bonded population in the drug rich domains of phase separated amorphous film compositions and highly drug loaded amorphous quench-cooled dispersions.

XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Summary of reports

International Nuclear Information System (INIS)

2011-01-01

The collection contains materials of plenary, sectional and poster sessions, presented at the XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Theoretical questions and new experimental methods of chemistry of solutions, structure and dynamics of molecular and ion-molecular systems in solution and at the phase boundary; modern aspects of applied chemistry of solutions are discussed [ru

Phase Change Materials for Thermal Energy Storage

OpenAIRE

Stiebra, L; Cabulis, U; Knite, M

2014-01-01

Phase change materials (PCMs) for thermal energy storage (TES) have become an important subject of research in recent years. Using PCMs for thermal energy storage provides a solution to increase the efficiency of the storage and use of energy in many domestic and industrial sectors. Phase change TES systems offer a number of advantages over other systems (e.g. chemical storage systems): particularly small temperature distance between the storage and retrieval cycles, small unit sizes and lo...

Crystal phase evolution of TiO2 nanoparticles with reaction time in acidic solutions studied via freeze-drying method

International Nuclear Information System (INIS)

Shin, Hyunho; Jung, Hyun Suk; Hong, Kug Sun; Lee, Jung-Kun

2005-01-01

The crystal phase evolution of TiO 2 nanoparticles, during hydrolysis and condensation of titanium tetraisopropoxide, was quenched at various reaction times by a freeze-drying method, followed by various characterizations. Three types of solutions with different acid input times were studied: (1) addition in infinite time (no addition) (2) addition at 24h after the hydrolysis/condensation reaction started, and (3) addition from the beginning of the reaction. The acid-free solution yielded amorphous TiO 2 , which transformed to anatase very slowly. The acid input in 24h resulted in a fast transformation of amorphous to a metastable anatase having a highly distorted atomic arrangement: thereby its transformation to a more stable phase, rutile, was suitable. The acid addition from the beginning of the reaction yielded the formation of a relatively stable anatase from the hydrolysis seed, thereby the subsequent transformation to rutile was sluggish

Current state in adsorption from multicomponent solutions of nonelectrolytes on solids

International Nuclear Information System (INIS)

Borowko, M.; Jaroniec, M.

1983-01-01

This paper surveys the research carried out on the adsorption from multicomponent liquid mixtures of nonelectrolytes on solids with emphasis on the work performed by the authors. The consistent theoretical treatment of adsorption from concentrated and dilute multicomponent solutions and its application to the liquid adsorption chromatography with the mixed mobile phase are presented. This treatment involved nonideality of the bulk and surface phases, energetic heterogeneity of the adsorbent surface and it may be extended to multilayer adsorption from solutions. The multicomponent liquid/solid adsorption systems, studied experimentally, are reviewed. Many of them have been examined by means of the equations derived for liquid adsorption on heterogeneous surfaces. These studies are summarized in this paper. Moreover, the model studies illustrating the influence of solution nonideality and adsorbent heterogeneity on the excess adsorption isotherms and the distribution coefficient are discussed. (orig.)

Discovery of a thermally persistent h.c.p. solid-solution phase in the Ni-W system

International Nuclear Information System (INIS)

Kurz, S. J. B.; Leineweber, A.; Maisel, S. B.; Höfler, M.; Müller, S.; Mittemeijer, E. J.

2014-01-01

Although the accepted Ni-W phase diagram does not reveal the existence of h.c.p.-based phases, h.c.p.-like stacking sequences were observed in magnetron-co-sputtered Ni-W thin films at W contents of 20 to 25 at. %, by using transmission electron microscopy and X-ray diffraction. The occurrence of this h.c.p.-like solid-solution phase could be rationalized by first-principles calculations, showing that the vicinity of the system's ground-state line is populated with metastable h.c.p.-based superstructures in the intermediate concentration range from 20 to 50 at. % W. The h.c.p.-like stacking in Ni-W films was observed to be thermally persistent, up to temperatures as high as at least 850 K, as evidenced by extensive X-ray diffraction analyses on specimens before and after annealing treatments. The tendency of Ni-W for excessive planar faulting is discussed in the light of these new findings

Dilute solutions and phase behavior of polydisperse A-b-(A-co-B) diblock copolymers

Czech Academy of Sciences Publication Activity Database

Gromadzki, Daniel; Lokaj, Jan; Šlouf, Miroslav; Štěpánek, Petr

2009-01-01

Roč. 50, č. 11 (2009), s. 2451-2459 ISSN 0032-3861 Institutional research plan: CEZ:AV0Z40500505 Keywords : diblock copolymer * dilute solution properties * microphase separation Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.573, year: 2009

Research Note: Full-waveform inversion of the unwrapped phase of a model

KAUST Repository

Alkhalifah, Tariq Ali

2013-12-06

Reflections in seismic data induce serious non-linearity in the objective function of full- waveform inversion. Thus, without a good initial velocity model that can produce reflections within a half cycle of the frequency used in the inversion, convergence to a solution becomes difficult. As a result, we tend to invert for refracted events and damp reflections in data. Reflection induced non-linearity stems from cycle skipping between the imprint of the true model in observed data and the predicted model in synthesized data. Inverting for the phase of the model allows us to address this problem by avoiding the source of non-linearity, the phase wrapping phenomena. Most of the information related to the location (or depths) of interfaces is embedded in the phase component of a model, mainly influenced by the background model, while the velocity-contrast information (responsible for the reflection energy) is mainly embedded in the amplitude component. In combination with unwrapping the phase of data, which mitigates the non-linearity introduced by the source function, I develop a framework to invert for the unwrapped phase of a model, represented by the instantaneous depth, using the unwrapped phase of the data. The resulting gradient function provides a mechanism to non-linearly update the velocity model by applying mainly phase shifts to the model. In using the instantaneous depth as a model parameter, we keep track of the model properties unfazed by the wrapping phenomena. © 2013 European Association of Geoscientists & Engineers.

Closed-form solution for the Wigner phase-space distribution function for diffuse reflection and small-angle scattering in a random medium.

Science.gov (United States)

Yura, H T; Thrane, L; Andersen, P E

2000-12-01

Within the paraxial approximation, a closed-form solution for the Wigner phase-space distribution function is derived for diffuse reflection and small-angle scattering in a random medium. This solution is based on the extended Huygens-Fresnel principle for the optical field, which is widely used in studies of wave propagation through random media. The results are general in that they apply to both an arbitrary small-angle volume scattering function, and arbitrary (real) ABCD optical systems. Furthermore, they are valid in both the single- and multiple-scattering regimes. Some general features of the Wigner phase-space distribution function are discussed, and analytic results are obtained for various types of scattering functions in the asymptotic limit s > 1, where s is the optical depth. In particular, explicit results are presented for optical coherence tomography (OCT) systems. On this basis, a novel way of creating OCT images based on measurements of the momentum width of the Wigner phase-space distribution is suggested, and the advantage over conventional OCT images is discussed. Because all previous published studies regarding the Wigner function are carried out in the transmission geometry, it is important to note that the extended Huygens-Fresnel principle and the ABCD matrix formalism may be used successfully to describe this geometry (within the paraxial approximation). Therefore for completeness we present in an appendix the general closed-form solution for the Wigner phase-space distribution function in ABCD paraxial optical systems for direct propagation through random media, and in a second appendix absorption effects are included.

Classical solutions for a one phase osmosis model

NARCIS (Netherlands)

Lippoth, F.; Prokert, G.

2011-01-01

For a moving boundary problem modelling the motion of a semipermeable membrane by osmotic pressure and surface tension we prove the existence and uniqueness of classical solutions on small time intervals. Moreover, we construct solutions existing on arbitrary long time intervals, provided the

Application of Surfactant Micellar Solutions as Extractants and Mobile Phases for TLC-Determination of Purine Bases and Doping Agents in Biological Liquids

Directory of Open Access Journals (Sweden)

Daria Victorovna Yedamenko

2015-04-01

Full Text Available Separation of caffeine and its metabolites (theophylline and theobromine and doping agents (spironolactone, propranolol, and ephedrine and determination of caffeine in serum sample and propranolol and ephedrine in urine were studied on normal-phase thin layers (“Sorbfil-UV-254”. Aqueous organic solvents and aqueous micellar surfactant solutions were compared as the mobile phases for separation. The acceptable separation of purine bases and doping agents was achieved by micellar Thin Layer Chromatography and normal-phase Thin Layer Chromatography. Anionic surfactant solution with added 1-propanol was the best eluent as for caffeine, theophylline, and theobromine separation, as for doping agents. The best characteristics of caffeine extraction from serum, and propranolol and ephedrine from urine were achieved when micellar eluent based on non-ionic Tween-80 surfactant was used. DOI: http://dx.doi.org/10.17807/orbital.v7i1.632

Orbital Resonances in the Vinti Solution

Science.gov (United States)

Zurita, L. D.

As space becomes more congested, contested, and competitive, high-accuracy orbital predictions become critical for space operations. Current orbit propagators use the two-body solution with perturbations added, which have significant error growth when numerically integrated for long time periods. The Vinti Solution is a more accurate model than the two-body problem because it also accounts for the equatorial bulge of the Earth. Unfortunately, the Vinti solution contains small divisors near orbital resonances in the perturbative terms of the Hamiltonian, which lead to inaccurate orbital predictions. One approach to avoid the small divisors is to apply transformation theory, which is presented in this research. The methodology of this research is to identify the perturbative terms of the Vinti Solution, perform a coordinate transformation, and derive the new equations of motion for the Vinti system near orbital resonances. An analysis of these equations of motion offers insight into the dynamics found near orbital resonances. The analysis in this research focuses on the 2:1 resonance, which includes the Global Positioning System. The phase portrait of a nominal Global Positioning System satellite orbit is found to contain a libration region and a chaotic region. Further analysis shows that the dynamics of the 2:1 resonance affects orbits with semi-major axes ranging from -5.0 to +5.4 kilometers from an exactly 2:1 resonant orbit. Truth orbits of seven Global Positioning System satellites are produced for 10 years. Two of the satellites are found to be outside of the resonance region and three are found to be influenced by the libration dynamics of the resonance. The final satellite is found to be influenced by the chaotic dynamics of the resonance. This research provides a method of avoiding the small divisors found in the perturbative terms of the Vinti Solution near orbital resonances.

The challenges facing ethnographic design research: A proposed methodological solution

DEFF Research Database (Denmark)

Cash, Philip; Hicks, Ben; Culley, Steve

2009-01-01

Central to improving and maintaining high levels of performance in emerging ethnographic design research is a fundamental requirement to address some of the problems associated with the subject. In particular seven core issues are identified and include the complexity of test development......, variability of methods, resource intensiveness, subjectivity, comparability, common metrics and industrial acceptance. To address these problems this paper describes a structured methodological approach in which three main areas are proposed, the modularisation of the research process, the standardisation...... of the dataset and the stratification of the research context. The paper then examines the fundamental requirements of this scheme and how these relate to a Design Observatory approach. Following this, the proposed solution is related back to the initial problem set and potential issues are discussed. Finally...

Phase separation in a gravity field

Czech Academy of Sciences Publication Activity Database

Krejčí, Pavel; Rocca, E.; Sprekels, J.

2011-01-01

Roč. 4, č. 2 (2011), s. 391-407 ISSN 1937-1632 R&D Projects: GA ČR GAP201/10/2315 Institutional research plan: CEZ:AV0Z10190503 Keywords : phase separation * existence and uniqueness * long-time behavior of solutions Subject RIV: BA - General Mathematics http://www.aimsciences.org/journals/displayArticles.jsp?paperID=5633

The phase diagram and magnetic properties of Co and Ti co-doped (1−x)BiFeO_3–xLaFeO_3 solid solutions

International Nuclear Information System (INIS)

Wu, Jiangtao; Xu, Jun; Li, Nan; Jiang, Yaqi; Xie, Zhaoxiong

2015-01-01

Single phase Co and Ti co-doped Bi_1_−_xFeO_3−La_xFeO_3 (x = 0–1) solid solutions were prepared by the sol–gel method. Room temperature x-ray powder diffraction (XRD) patterns showed that the structures of as-prepared Bi_1_−_xLa_xFe_0_._9_0Co_0_._0_5Ti_0_._0_5O_3 solid solutions transformed from rhombohedral R3c to tetragonal P4mm and then to orthorhombic Pnma, with increasing La concentration from 0 to 1. In situ high-temperature XRD (HTXRD) analysis further revealed that rhombohedral structure R3c (x ≤ 0.16) and tetragonal structure P4mm (0.17 ≤ x ≤ 0.40) changed to orthorhombic Pnma along with increasing temperature, and the phase transition temperature decreased with the increase of La doping concentration. However, the orthorhombic structure Pnma (x ≥ 0.41) kept stable even when the temperature reached 850 °C. The phase diagram of as-prepared binary solid solutions of Bi_1_−_xLa_xFe_0_._9_0Co_0_._0_5Ti_0_._0_5O_3(x = 0–1) was drawn on the basis of XRD and HTXRD analysis. Magnetic measurement revealed that the magnetic properties are greatly enhanced with the increase of La content. - Highlights: • Single phase Co and Ti co-doped (1−x)BiFeO_3–xLaFeO_3 (x = 0–1) solid solutions were synthesized. • The phase transitions were investigated by tuning composition and temperature. • Phase diagram was constructed according to the results of XRD for the first time. • The magnetization of solid solution can be enhanced when increasing La content.

Directly relating gas-phase cluster measurements to solution-phase hydrolysis, the absolute standard hydrogen electrode potential, and the absolute proton solvation energy.

Science.gov (United States)

Donald, William A; Leib, Ryan D; O'Brien, Jeremy T; Williams, Evan R

2009-06-08

Solution-phase, half-cell potentials are measured relative to other half-cell potentials, resulting in a thermochemical ladder that is anchored to the standard hydrogen electrode (SHE), which is assigned an arbitrary value of 0 V. A new method for measuring the absolute SHE potential is demonstrated in which gaseous nanodrops containing divalent alkaline-earth or transition-metal ions are reduced by thermally generated electrons. Energies for the reactions 1) M(H(2)O)(24)(2+)(g) + e(-)(g)-->M(H(2)O)(24)(+)(g) and 2) M(H(2)O)(24)(2+)(g) + e(-)(g)-->MOH(H(2)O)(23)(+)(g) + H(g) and the hydrogen atom affinities of MOH(H(2)O)(23)(+)(g) are obtained from the number of water molecules lost through each pathway. From these measurements on clusters containing nine different metal ions and known thermochemical values that include solution hydrolysis energies, an average absolute SHE potential of +4.29 V vs. e(-)(g) (standard deviation of 0.02 V) and a real proton solvation free energy of -265 kcal mol(-1) are obtained. With this method, the absolute SHE potential can be obtained from a one-electron reduction of nanodrops containing divalent ions that are not observed to undergo one-electron reduction in aqueous solution.

Horonobe Underground Research Laboratory Project. Plans for surface-based investigations. Phase 1

International Nuclear Information System (INIS)

Goto, Junichi; Hama, Katsuhiro

2003-10-01

The Horonobe Underground Research Laboratory Project is an investigation project which is planned over 20 years. The investigations are conducted in the three phases: investigations from surface (Phase 1), investigations during construction of the underground facility (Phase 2) and investigations using the facility (Phase 3). Taking into account the results from 'H12: Project of Establish the Scientific and Technical Basis for HLW Disposal in Japan - Second Progress Report on Research and Development for the Geological Disposal of HLW in Japan-' (JNC, 2000), research and development goals for the Horonobe URL project were re-defined as follows; a) Development of investigation technologies for the geological environment, b) Development of monitoring technologies for the geological environment, c) Study on the long-term stability of the geological environment, d) Development of the basis for engineering technologies in deep underground, e) Verification of technologies for engineered barriers, f) Development of detailed designing technologies of the repositories, and g) Improvement of safety assessment methodologies. Investigations for the goals a) to d) and e) to g) are conducted in the 'Geoscientific Research' and 'Research and Development on Geological Disposal', respectively. In Phase 1, a 'laboratory construction area' of a few kilometers square is selected based on the results from early stage investigations. Subsequent investigations are concentrated in the selected area and its periphery. Acquisition of data by surface-based investigations, modeling of the geological environment and predictions of changes in the geological environment caused by the construction of the underground facility, are conducted in a) Development of investigation technologies for the geological environment. Development and installation of monitoring equipments and data acquisition prior to the construction of the underground facility fall under b) Development of monitoring technologies

Nanoscale phase transition behavior of shape memory alloys — closed form solution of 1D effective modelling

Science.gov (United States)

Li, M. P.; Sun, Q. P.

2018-01-01

We investigate the roles of grain size (lg) and grain boundary thickness (lb) on the stress-induced phase transition (PT) behaviors of nanocrystalline shape memory alloys (SMAs) by using a Core-shell type "crystallite-amorphous composite" model. A non-dimensionalized length scale lbarg(=lg /lb) is identified as the governing parameter which is indicative of the energy competition between the crystallite and the grain boundary. Closed form analytical solutions of a reduced effective 1D model with embedded microstructure length scales of lg and lb are presented in this paper. It is shown that, with lbarg reduction, the energy of the elastic non-transformable grain boundary will gradually become dominant in the phase transition process, and eventually bring fundamental changes of the deformation behaviors: breakdown of two-phase coexistence and vanishing of superelastic hysteresis. The predictions are supported by experimental data of nanocrystalline NiTi SMAs.

Ions, solutes and solvents, oh my!

Energy Technology Data Exchange (ETDEWEB)

Kemp, Daniel David [Iowa State Univ., Ames, IA (United States)

2009-08-01

Modern methods in ab initio quantum mechanics have become efficient and accurate enough to study many gas-phase systems. However, chemists often work in the solution phase. The presence of solvent molecules has been shown to affect reaction mechanisms1, lower reaction energy barriers2, participate in energy transfer with the solute3 and change the physical properties of the solute4. These effects would be overlooked in simple gas phase calculations. Careful study of specific solvents and solutes must be done in order to fully understand the chemistry of the solution phase. Water is a key solvent in chemical and biological applications. The properties of an individual water molecule (a monomer) and the behavior of thousands of molecules (bulk solution) are well known for many solvents. Much is also understood about aqueous microsolvation (small clusters containing ten water molecules or fewer) and the solvation characteristics when bulk water is chosen to solvate a solute. However, much less is known about how these properties behave as the cluster size transitions from the microsolvated cluster size to the bulk. This thesis will focus on species solvated with water clusters that are large enough to exhibit the properties of the bulk but small enough to consist of fewer than one hundred solvent molecules. New methods to study such systems will also be presented.

Computing in research and development in Africa benefits, trends, challenges and solutions

CERN Document Server

2015-01-01

This book describes the trends, challenges and solutions in computing use for scientific research and development within different domains in Africa, such as health, agriculture, environment, economy, energy, education and engineering. The benefits expected are discussed by a number of recognized, domain-specific experts, with a common theme being computing as solution enabler. This book is the first document providing such a representative up-to-date view on this topic at the continent level.   • Discusses computing for scientific research and development on the African continent, addressing domains such as engineering, health, agriculture, environment, economy, energy, and education; • Describes the state-of-the-art in usage of computing to address problems in developing countries pertaining to health, productivity, economic growth, and renewable energy; • Offers insights applicable to all developing countries on the use of computing technologies to address a variety of societal issues.

Solubility and phase separation of 4-morpholinepropanesulfonic acid (MOPS), and 3-morpholino-2-hydroxypropanesulfonic acid (MOPSO) in aqueous 1,4-dioxane and ethanol solutions

International Nuclear Information System (INIS)

Taha, Mohamed; Lee, Ming-Jer

2011-01-01

Highlights: → Solubilities of MOPS and MOPSO buffers in aqueous 1,4-dioxane and ethanol solutions. → We found that MOPS-induced phase separation of aqueous solution of 1,4-dioxane. → The phase diagram of (MOPS + water + 1,4-dioxane) system at 298.15 K is documented. → The tie-lines within the two-liquid phase region were also determined at 298.15 K. → The effective excluded volume theory was applied to correlate the binodal LLE data. - Abstract: The buffers 4-morpholinepropanesulfonic acid (MOPS) and 3-morpholino-2-hydroxypropanesulfonic acid (MOPSO) are useful biological zwitterionic buffers within the pH range of 6.5 to 7.9 and 6.2 to 7.6, respectively. The solubilities of these buffers were determined in binary mixtures (1,4-dioxane + water) and (ethanol + water) at T = 298.15 K by using the results of density measurements. It has been observed that MOPS induced liquid-liquid phase splitting for the mixtures of 40% to 90% (w/w) 1,4-dioxane in water. The two-liquid phase formation was visualized with disperse orange 25. The phase equilibrium boundaries, including the regions of one liquid, two liquids, (one liquid + one solid) and (two liquids + one solid), for the (MOPS + water + 1,4-dioxane) system have been determined experimentally at T = 298.15 K. The tie lines of the (liquid + liquid) equilibrium were also measured. The Othmer-Tobias and Bancroft equation were used to evaluate the reliability of the tie-line data. The binodal curve was fitted to an empirical equation and the effective excluded volume (EEV) model. The apparent free energies of transfer (ΔG tr ' ) of MOPS and MOPSO from water to 1,4-dioxane and ethanol solutions have been calculated from the solubility data. These ΔG tr ' values were compared with those of some related biological buffers (TRIS, TAPS, TAPSO, and TABS). Furthermore, we also calculated the contribution of transfer free energies (Δg tr ' ) of -OH group from water to 1,4-dioxane and ethanol solutions.

Defect and phase stability of solid solutions of Mg2X with an antifluorite structure: An ab initio study

International Nuclear Information System (INIS)

Viennois, Romain; Jund, Philippe; Colinet, Catherine; Tédenac, Jean-Claude

2012-01-01

First principles calculations are done for Mg 2 X (X=Si, Ge or Sn) antifluorite compounds and their solid solutions in order to investigate their pseudo-binary phase diagram. The formation energies of the end-member compounds agree qualitatively with the experiments. For X=Si and Ge, there is a complete solubility, but we observe a miscibility gap in the pseudo-binary phase diagram Mg 2 Si–Mg 2 Sn. This agrees with the most recent experiments and phase diagram assessments. Calculated electronic properties of Mg 2 Si 1−x Sn x alloys qualitatively agree with experiments and in particular the energy bandgap decreases when Si is substituted by Sn. Supercell calculations are also done in order to determine the most stable defects and the doping induced by these defects in the three end-member compounds. We find that the intrinsic n-doping in pure Mg 2 Si can be attributed to the presence of magnesium atoms in interstitial positions. In Mg 2 Ge and Mg 2 Sn, since other defects are stable, they can be also of p-type. - Graphical abstract: Evidence of a miscibility gap from the plot of the formation energy vs x Si (silicon content) for the solid solutions Mg 2 Si–Mg 2 Sn. Highlights: ► First-principles study of the stability of Mg 2 Si–Mg 2 X alloys (X=Ge or Sn) and their defects. ► Mg 2 Si–Mg 2 Ge alloys form a complete series of solid solutions. ► Miscibility gap is found in Mg 2 Si–Mg 2 Sn alloys. ► Interstitial defects are more stable in Mg 2 Si and induce n-doping.

Layout and Optics Solution for the LHC Insertion Upgrade Phase I

CERN Document Server

Fartoukh, S

2010-01-01

The main guidelines of the LHC IR upgrade Phase I project are the development of wider aperture (120 mm) and lower gradient (120 T/m) quadrupoles using the wellcharacterized Nb-Ti technology in order to build new inner triplets (IT) for the ATLAS and CMS experimental insertions, while minimizing the hardware modifications in the other parts of these insertions, in particular leaving unchanged the so-called "matching section" (MS) and "dispersion suppressor" (DS). While one of the initial goal was to squeeze the optics down to a B* of 25 cm, optics solutions with a B* of 30 cm are already at the edge of feasibility, both in terms of the IT and MS mechanical acceptance, gradients of the MS and DS quadrupole magnets, and correctability by the arc sextupoles of the huge chromatic aberrations generated at low B*. The layout of the new inner triplet and the corresponding injection and collision optics will be presented and analyzed in terms of aperture and chromatic correction.

Effects of large volume injection of aliphatic alcohols as sample diluents on the retention of low hydrophobic solutes in reversed-phase liquid chromatography.

Science.gov (United States)

David, Victor; Galaon, Toma; Aboul-Enein, Hassan Y

2014-01-03

Recent studies showed that injection of large volume of hydrophobic solvents used as sample diluents could be applied in reversed-phase liquid chromatography (RP-LC). This study reports a systematic research focused on the influence of a series of aliphatic alcohols (from methanol to 1-octanol) on the retention process in RP-LC, when large volumes of sample are injected on the column. Several model analytes with low hydrophobic character were studied by RP-LC process, for mobile phases containing methanol or acetonitrile as organic modifiers in different proportions with aqueous component. It was found that starting with 1-butanol, the aliphatic alcohols can be used as sample solvents and they can be injected in high volumes, but they may influence the retention factor and peak shape of the dissolved solutes. The dependence of the retention factor of the studied analytes on the injection volume of these alcohols is linear, with a decrease of its value as the sample volume is increased. The retention process in case of injecting up to 200μL of upper alcohols is dependent also on the content of the organic modifier (methanol or acetonitrile) in mobile phase. Copyright © 2013 Elsevier B.V. All rights reserved.

Phase-space dynamics of opposition control in wall-bounded turbulent flows

Science.gov (United States)

Hwang, Yongyun; Ibrahim, Joseph; Yang, Qiang; Doohan, Patrick

2017-11-01

The phase-space dynamics of wall-bounded shear flow in the presence of opposition control is explored by examining the behaviours of a pair of nonlinear equilibrium solutions (exact coherent structures), edge state and life time of turbulence at low Reynolds numbers. While the control modifies statistics and phase-space location of the edge state and the lower-branch equilibrium solution very little, it is also found to regularise the periodic orbit on the edge state by reverting a period-doubling bifurcation. Only the upper-branch equilibrium solution and mean turbulent state are significantly modified by the control, and, in phase space, they gradually approach the edge state on increasing the control gain. It is found that this behaviour results in a significant reduction of the life time of turbulence, indicating that the opposition control significantly increases the probability that the turbulent solution trajectory passes through the edge state. Finally, it is shown that the opposition control increases the critical Reynolds number of the onset of the equilibrium solutions, indicating its capability of transition delay. This work is sponsored by the Engineering and Physical Sciences Research Council (EPSRC) in the UK (EP/N019342/1).

Novel chemistry of alpha-tosyloxy ketones: applications to the solution- and solid-phase synthesis of privileged heterocycle and enediyne libraries

DEFF Research Database (Denmark)

Nicolaou, K C; Montagnon, T; Ulven, T

2002-01-01

New synthetic technologies for the preparation and elaboration of alpha-tosyloxy ketones in solution- and on solid-phase are described. Both olefins and ketones serve as precursors to these relatively stable chemical entities: olefins via a novel one-pot epoxidation, arylsulfonic acid displacemen...

Fundamental aspects of nucleation and growth in the solution-phase synthesis of germanium nanocrystals

KAUST Repository

Codoluto, Stephen C.

2010-01-01

Colloidal Ge nanocrystals (NCs) were synthesized via the solution phase reduction of germanium(ii) iodide. We report a systematic investigation of the nanocrystal nucleation and growth as a function of synthesis conditions including the nature of coordinating solvents, surface bound ligands, synthesis duration and temperature. NC synthesis in reaction environments with weakly bound phosphine surface ligand led to the coalescence of nascent particles leading to ensembles with broad lognormal particle diameter distributions. Synthesis in the presence of amine or alkene ligands mitigated particle coalescence. High-resolution transmission electron micrographs revealed that NCs grown in the presence of weak ligands had a high crystal defect density whereas NCs grown in amine solutions were predominantly defect-free. We applied infrared spectroscopy to study the NC surface chemistry and showed that alkene ligands project the NCs from surface oxidation. Photoluminescence spectroscopy measurements showed that alkene ligands passivate surface traps, as indicated by infrared fluorescence, conversely oxidized phosphine and amine passivated NCs did not fluoresce. © 2010 The Royal Society of Chemistry.

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

Science.gov (United States)

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

2005-12-01

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

Mixture-mixture design for the fingerprint optimization of chromatographic mobile phases and extraction solutions for Camellia sinensis.

Science.gov (United States)

Borges, Cleber N; Bruns, Roy E; Almeida, Aline A; Scarminio, Ieda S

2007-07-09

A composite simplex centroid-simplex centroid mixture design is proposed for simultaneously optimizing two mixture systems. The complementary model is formed by multiplying special cubic models for the two systems. The design was applied to the simultaneous optimization of both mobile phase chromatographic mixtures and extraction mixtures for the Camellia sinensis Chinese tea plant. The extraction mixtures investigated contained varying proportions of ethyl acetate, ethanol and dichloromethane while the mobile phase was made up of varying proportions of methanol, acetonitrile and a methanol-acetonitrile-water (MAW) 15%:15%:70% mixture. The experiments were block randomized corresponding to a split-plot error structure to minimize laboratory work and reduce environmental impact. Coefficients of an initial saturated model were obtained using Scheffe-type equations. A cumulative probability graph was used to determine an approximate reduced model. The split-plot error structure was then introduced into the reduced model by applying generalized least square equations with variance components calculated using the restricted maximum likelihood approach. A model was developed to calculate the number of peaks observed with the chromatographic detector at 210 nm. A 20-term model contained essentially all the statistical information of the initial model and had a root mean square calibration error of 1.38. The model was used to predict the number of peaks eluted in chromatograms obtained from extraction solutions that correspond to axial points of the simplex centroid design. The significant model coefficients are interpreted in terms of interacting linear, quadratic and cubic effects of the mobile phase and extraction solution components.

Process for removing a mixture containing iodine and alkyl iodine compounds from a gas phase or aqueous solution with ion-exchange resins

Energy Technology Data Exchange (ETDEWEB)

Shimizu, H; Mizuuchi, A; Yokoyama, F

1968-10-04

Iodine and alkyl iodine compounds are removed from a gas phase or aqueous solution containing salts, iodine and iodine compounds, such as the ambient gas in a reactor, if an accident should occur. The process comprises contacting the phase or solution: (a) with a hydrogen type strongly acidic cationic exchange resin, (b) with an anionic exchange resin containing quarternary ammonium and (c) with an anionic exchange resin containing free basic type tertiary amine, in this order or by reversing the order of the two anionic exchange resins. Although no problems arise in the liquid phase reaction, the ion-exchange resins in the gas phase reaction are desired in the moist state in order to stable maintain the migration speed of the materials to be removed regardless of the relative humidity of the amibent gas. In example I, Amberlite IRA-900 of 200 mm thickness as the lowermost bed, Amberlite IRA93 of 200 mm thickness as the middle bed and Amberlite 200 of 200 mm thickness as the uppermost bed were filled respectively, in a methacrylate resin cylinder with an inner diameter of 25 mm. A solution containing 15.9 mg/1 of iodine, 41.2 mg/1 of methyl iodide and 550 mg/1 of sodium carbonate flows at a rate of 15 liter/hr downward through the beds. As a result of testing, no iodine, iodine ions, iodic acid ions and methyl iodine were detected. The amount of water the beds could treat was 60 times the total quantity of the filled resins.

Synthesis of 2D Metal Chalcogenide Thin Films through the Process Involving Solution-Phase Deposition.

Science.gov (United States)

Giri, Anupam; Park, Gyeongbae; Yang, Heeseung; Pal, Monalisa; Kwak, Junghyeok; Jeong, Unyong

2018-04-24

2D metal chalcogenide thin films have recently attracted considerable attention owing to their unique physicochemical properties and great potential in a variety of applications. Synthesis of large-area 2D metal chalcogenide thin films in controllable ways remains a key challenge in this research field. Recently, the solution-based synthesis of 2D metal chalcogenide thin films has emerged as an alternative approach to vacuum-based synthesis because it is relatively simple and easy to scale up for high-throughput production. In addition, solution-based thin films open new opportunities that cannot be achieved from vacuum-based thin films. Here, a comprehensive summary regarding the basic structures and properties of different types of 2D metal chalcogenides, the mechanistic details of the chemical reactions in the synthesis of the metal chalcogenide thin films, recent successes in the synthesis by different reaction approaches, and the applications and potential uses is provided. In the last perspective section, the technical challenges to be overcome and the future research directions in the solution-based synthesis of 2D metal chalcogenides are discussed. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The status of research on CFD-PBM simulation of liquid-liquid two-phase flow in extraction columns

International Nuclear Information System (INIS)

Li Shaowei; Jing Shan; Wu Qiulin; Zhang Qi

2012-01-01

Computational fluid dynamics (CFD) simulation has gained more and more interest in the chemical engineering researchers and is becoming a useful tool for the chemical engineering research. The research on liquid-liquid two-phase flow CFD simulation in extraction columns is now in its initial stage. There is much work to do for the developing of this research field. The purpose of this article is to review the CFD simulation methods for two-phase flow in extraction column. The population balance model (PBM) is detailedly described in this article because it is the main method used in the two-phase flow CFD simulation currently. Then some examples for the two-phase flow simulation in extraction columns are briefly introduced. The strategy for the research on CFD simulation of two-phase flow in extraction columns is suggested at last. (authors)

Phases of Kaluza-Klein Black Holes

DEFF Research Database (Denmark)

Harmark, Troels; Obers, N. A.

2005-01-01

We review the latest progress in understanding the phase structure of static and neutral Kaluza-Klein black holes, i.e. static and neutral solutions of pure gravity with an event horizon that asymptote to a d-dimensional Minkowski-space times a circle. We start by reviewing the (mu,n) phase diagram...... and the split-up of the phase structure into solutions with an internal SO(d-1) symmetry and solutions with Kaluza-Klein bubbles. We then discuss the uniform black string, non-uniform black string and localized black hole phases, and how those three phases are connected, involving issues such as classical...... instability and horizon-topology changing transitions. Finally, we review the bubble-black hole sequences, their place in the phase structure and interesting aspects such as the continuously infinite non-uniqueness of solutions for a given mass and relative tension....

Liquid-Phase Packaging of a Glucose Oxidase Solution with Parylene Direct Encapsulation and an Ultraviolet Curing Adhesive Cover for Glucose Sensors

OpenAIRE

Seiichi Takamatsu; Hisanori Takano; Nguyen Binh-Khiem; Tomoyuki Takahata; Eiji Iwase; Kiyoshi Matsumoto; Isao Shimoyama

2010-01-01

We have developed a package for disposable glucose sensor chips using Parylene encapsulation of a glucose oxidase solution in the liquid phase and a cover structure made of an ultraviolet (UV) curable adhesive. Parylene was directly deposited onto a small volume (1 μL) of glucose oxidase solution through chemical vapor deposition. The cover and reaction chamber were constructed on Parylene film using a UV-curable adhesive and photolithography. The package was processed at room temperature to ...

Selective Recovery Of Copper From Solutions After Bioleaching Electronic Waste

Directory of Open Access Journals (Sweden)

Willner Joanna

2015-06-01

Full Text Available Research on selective extraction of copper from solution after bioleaching grounded printed circuit boards (PCBs using LIX 860N-IC were conducted. The effect of LIX 860N-IC concentration, phase ratio and influence of initial pH value of aqueous phase on the extraction of copper and iron was examined. It was found that the extraction rate of copper increases with the LIX 860N-IC concentration. Best results of Cu extraction (98 % were achieved with extractant concentration of 5 % and pH 1.9. Higher pH value of aqueous phase (pH=2.4 is conducive to the simultaneous effect of Fe co-extraction.

Solute segregation during irradiation

International Nuclear Information System (INIS)

Wiedersich, H.; Okamoto, P.R.; Lam, N.Q.

1977-01-01

Irradiation at elevated temperature induces redistribution of the elements in alloys on a microstructural level. This phenomenon is caused by differences in the coupling of the various alloy constituents to the radiation-induced defect fluxes. A simple model of the segregation process based on coupled reaction-rate and diffusion equations is discussed. The model gives a good description of the experimentally observed consequences of radiation-induced segregation, including enrichment or depletion of solute elements near defect sinks such as surfaces, voids and dislocations; precipitation of second phases in solid solutions; precipitate redistribution in two-phase alloys; and effects of defect-production rates on void-swelling rates in alloys with minor solute additions

Scalable solution-phase epitaxial growth of symmetry-mismatched heterostructures on two-dimensional crystal soft template.

Science.gov (United States)

Lin, Zhaoyang; Yin, Anxiang; Mao, Jun; Xia, Yi; Kempf, Nicholas; He, Qiyuan; Wang, Yiliu; Chen, Chih-Yen; Zhang, Yanliang; Ozolins, Vidvuds; Ren, Zhifeng; Huang, Yu; Duan, Xiangfeng

2016-10-01

Epitaxial heterostructures with precisely controlled composition and electronic modulation are of central importance for electronics, optoelectronics, thermoelectrics, and catalysis. In general, epitaxial material growth requires identical or nearly identical crystal structures with small misfit in lattice symmetry and parameters and is typically achieved by vapor-phase depositions in vacuum. We report a scalable solution-phase growth of symmetry-mismatched PbSe/Bi 2 Se 3 epitaxial heterostructures by using two-dimensional (2D) Bi 2 Se 3 nanoplates as soft templates. The dangling bond-free surface of 2D Bi 2 Se 3 nanoplates guides the growth of PbSe crystal without requiring a one-to-one match in the atomic structure, which exerts minimal restriction on the epitaxial layer. With a layered structure and weak van der Waals interlayer interaction, the interface layer in the 2D Bi 2 Se 3 nanoplates can deform to accommodate incoming layer, thus functioning as a soft template for symmetry-mismatched epitaxial growth of cubic PbSe crystal on rhombohedral Bi 2 Se 3 nanoplates. We show that a solution chemistry approach can be readily used for the synthesis of gram-scale PbSe/Bi 2 Se 3 epitaxial heterostructures, in which the square PbSe (001) layer forms on the trigonal/hexagonal (0001) plane of Bi 2 Se 3 nanoplates. We further show that the resulted PbSe/Bi 2 Se 3 heterostructures can be readily processed into bulk pellet with considerably suppressed thermal conductivity (0.30 W/m·K at room temperature) while retaining respectable electrical conductivity, together delivering a thermoelectric figure of merit ZT three times higher than that of the pristine Bi 2 Se 3 nanoplates at 575 K. Our study demonstrates a unique epitaxy mode enabled by the 2D nanocrystal soft template via an affordable and scalable solution chemistry approach. It opens up new opportunities for the creation of diverse epitaxial heterostructures with highly disparate structures and functions.

Radiotherapy physics research in the UK: challenges and proposed solutions.

Science.gov (United States)

Mackay, R I; Burnet, N G; Green, S; Illidge, T M; Staffurth, J N

2012-10-01

In 2011, the Clinical and Translational Radiotherapy Research Working Group (CTRad) of the National Cancer Research Institute brought together UK radiotherapy physics leaders for a think tank meeting. Following a format that CTRad had previously and successfully used with clinical oncologists, 23 departments were asked to complete a pre-meeting evaluation of their radiotherapy physics research infrastructure and the strengths, weaknesses, opportunities and threats within their own centre. These departments were brought together with the CTRad Executive Group and research funders to discuss the current state of radiotherapy physics research, perceived barriers and possible solutions. In this Commentary, we summarise the submitted materials, presentations and discussions from the meeting and propose an action plan. It is clear that there are challenges in both funding and staffing of radiotherapy physics research. Programme and project funding streams sometimes struggle to cater for physics-led work, and increased representation on research funding bodies would be valuable. Career paths for academic radiotherapy physicists need to be examined and an academic training route identified within Modernising Scientific Careers; the introduction of formal job plans may allow greater protection of research time, and should be considered. Improved access to research facilities, including research linear accelerators, would enhance research activity and pass on developments to patients more quickly; research infrastructure could be benchmarked against centres in the UK and abroad. UK National Health Service departments wishing to undertake radiotherapy research, with its attendant added value for patients, need to develop a strategy with their partner higher education institution, and collaboration between departments may provide enhanced opportunities for funded research.

Summer Research Institute Interfacial and Condensed Phase Chemical Physics

Energy Technology Data Exchange (ETDEWEB)

Barlow, Stephan E.

2004-10-01

Pacific Northwest National Laboratory (PNNL) hosted its first annual Summer Research Institute in Interfacial and Condensed Phase Chemical Physics from May through September 2004. During this period, fourteen PNNL scientists hosted sixteen young scientists from eleven different universities. Of the sixteen participants, fourteen were graduate students; one was transitioning to graduate school; and one was a university faculty member.

Direct visualization of β phase causing intergranular forms of corrosion in Al–Mg alloys

Energy Technology Data Exchange (ETDEWEB)

Yang, Young-Ki, E-mail: deltag@naver.com; Allen, Todd

2013-06-15

For a more effective examination of microstructure in Al–Mg alloys, a new etching solution has been developed; dissolved ammonium persulfate in water. It is demonstrated how β phase (Al{sub 3}Mg{sub 2}) in Al–Mg alloys respond to this solution using samples of a binary Al–Mg alloy and a commercial 5083 aluminum alloy. Nanometer sized β phase is clearly visualized for the first time using scanning electron microscopy (SEM) instead of transmission electron microscopy (TEM). It is anticipated that direct and unambiguous visualization of β phase will greatly augment intergranular corrosion research in 5xxx series aluminum alloys. - Highlights: • Nanometer sized β phase in Al-10% Mg is first clearly visualized with SEM. • Nanometer sized β phase in wrought alloy 5083 is first clearly visualized with SEM. • Grain boundary decorating β phase and isolated sponge-like β phase are shown. • This phase is confirmed to be β phase using composition analysis.

A New Approach to Commercialization of NASA's Human Research Program Technologies, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — This Phase I SBIR proposal describes, "A New Approach to Commercialization of NASA's Human Research Program Technologies." NASA has a powerful research program that...

Bridging the gap between selection decisions of facade systems at the early design phase: Issues, challenges and solutions

Directory of Open Access Journals (Sweden)

Mohamad Kassema

2015-11-01

Full Text Available Building facade has a significant impact on the environmental and economic performance of buildings and projects. The specification of their elements at the early design phase depends on numerous technical, environmental and economic factors and involves several stakeholders. The procurement and delivery of the facade work package from the early design phase, through detailed design and manufacture, to installation is a process with several inherent risk factors due to the involved cost, technical and engineering complexities and its position on the critical path in all projects. This research investigates the process of selection and specification of building facade elements at the early design phases with the overarching aim of identifying the issues affecting specification decisions, their root causes and impact on projects. The research utilizes a mixed research approach which combines a retrospective case study and an industry survey as two research methods that build on each other. The findings suggest that the complexity of specification at the early design phases is exacerbated by factors such as the inadequate technical knowledge of stakeholders involved in the decision making process, the non-involvement of building facade consultants, the late involvement of specialist facade subcontractors, and in a few cases by some commercial exclusivity agreements that restricts specification decisions. 

Overview of the 3rd phase crossover research on migration of radionuclides in biosphere

International Nuclear Information System (INIS)

Uchida, Shigeo; Amano, Hikaru; Chiba, Masaru; Hisamatsu, Shun'ichi; Enomoto, Shuichi; Matsumoto, Shiro

2003-01-01

In 1991, we started a series of projects in Nuclear Energy Generic Crossover Research, which is known as ''Crossover Research (CR)''. This 1st phase was successfully finished with the active cooperation of five organizations: Japan Atomic Energy Research Institute (JAERI), Meteorological Research Institute (MRI), National Institute of Radiological Sciences (NIRS), the Institute of Physical and Chemical Research (RIKEN) and Power Reactor and Nuclear Fuel Development Corporation (PNC). Subsequently we carried out the 2nd phase of CR (1996-1998). A new member, Institute for Environmental Sciences (IES) participated from this phase. In the 3rd phase CR, a project on ''Development of a dynamic transfer model of radionuclides in the soil ecosphere'', is currently being promoted (1999-2003). The following five researches are carried out in this project. (1) Research into the forms of existence of nuclide and their change in the soil (NIRS and JAERI), (2) Research into the transition behavior of radionuclides in plants (IES, RIKEN and NIRS), (3) Research into the relation to the microorganism and on environmental remediation (RIKEN, JAERI and NIRS), (4) Research on the migration of radionuclides from atmosphere to soil and plant (MRI and JAERI), and (5) Database construction on transfer parameters (JAERI, NIRS and MRI). Then, JAERI, MRI and NIRS are working on the development of a dynamic transfer model for radionuclides on the basis of a gained knowledge about the environmental behavior with the cooperation of universities, etc. The dynamic transfer model developed in this project is effective not only for Japan, but also for the Southeast Asian countries. Besides, this model is capable of predicting the behavior of materials that are harmful to the environment, i.e. hazardous heavy metals discharged in the soil ecosphere. (author)

OPTICAL PROPERTIES OF CARBAMIDE AQUEOUS SOLUTIONS

Directory of Open Access Journals (Sweden)

E. V. Avramenko

2016-03-01

Full Text Available Subject of Research. The paper presents the results of measurements of refractometric properties (refractive index n, its temperature factor dn/dt and the ultraviolet spectral absorption in carbonic acid diamide aqueous solutions (carbamide depending on solid residue mass fraction md = 0-50 % and on temperaturet = 10-70 °C.Method of Research. Laboratory methods ofliquid-phase medium refractometry and ultraviolet spectrophotometry were applied for the research. We carried out computational modeling of electronic states spectrum for the carbonic acid diamide molecule and theoretical calculation of the fundamental electronic absorption of the molecule in the ultraviolet wavelenght region.Main Results. We have established that the solution concentration md has a nonlinear character and may be represented by the quadratic polynomial with the error Δn= ± 0,0005. We have shown the refractive indexdependence on temperature n(t changes in linear fashion att = 10-70 °C.At that, the inclination of lines n(t increases at the increase of md; so, the temperature factor dn/dt may be approximated by the quadratic polynomial. Transmission spectra of solutions in the spectral region λ= 225-760 nm have no special features except for the sharp edge in the short-wavelength region; the fundamental electronic absorptionis responsible for it. We have established that dispersion dependences of the refraction index n(λ;md in aqueous solutions of carbamide at λ= 360-760 nm and at md = 0-50 % may be calculated with the satisfactory error without additional adjustable parameters from the ultraviolet absorption data in terms of the one-dimentional oscillator Lorentz model.PracticalRelevance. Representedmeasurements of carbonic acid diamide aqueous solutions optical properties may be applied for the adjustment and calibration of commercial refractometers at processing lines of the AdBlue reagent manufacture for the selective catalytic reduction (SCR of motor transport

Solute carrier transporters: Pharmacogenomics research ...

African Journals Online (AJOL)

Aghogho

2010-12-27

Dec 27, 2010 ... This paper reviews the solute carrier transporters and highlights the fact that there is much to be learnt from .... transporters, drug targets, effect or proteins and meta- ... basolateral or apical plasma membrane of polarized cells,.

Simultaneous Extraction, Enrichment and Removal of Dyes from Aqueous Solutions Using a Magnetic Aqueous Micellar Two-Phase System

Directory of Open Access Journals (Sweden)

Shuanggen Wu

2017-12-01

Full Text Available The magnetic aqueous micellar two-phase system (MAMTPS has the advantages combined of magnetic solid phase extraction (MSPE and aqueous micellar two-phase system (AMTPS. Thus, MAMTPS based on Fe3O4 magnetic nanoparticles (MNPs and a nonionic surfactant Triton X-114 (TX-114 was developed for the extraction, enrichment and removal of three dyes (Congo red, methyl blue, and methyl violet from aqueous solutions in this study. The MNPs Fe3O4@NH2 was screened as the optimal MNPs benefiting the extraction. Then, the influencing factors of MNPs amount, TX-114 concentration, vibration time, and extraction temperature were investigated in detail. The results showed that the extraction efficiencies of three dyes almost reached 100% using MAMTPS under the optimal conditions; MAMTPS had higher extraction ability than the individual MSPE or AMTPS. Thus, MAMTPS had the advantages of simple operation, high extraction ability, easy recycling of MNPs, and short phase-separation time, which showspotential for use in the extraction and analysis of contaminants from water samples.

Numerical solution of one-dimensional transient, two-phase flows with temporal fully implicit high order schemes: Subcooled boiling in pipes

Energy Technology Data Exchange (ETDEWEB)

López, R., E-mail: ralope1@ing.uc3m.es; Lecuona, A., E-mail: lecuona@ing.uc3m.es; Nogueira, J., E-mail: goriba@ing.uc3m.es; Vereda, C., E-mail: cvereda@ing.uc3m.es

2017-03-15

Highlights: • A two-phase flows numerical algorithm with high order temporal schemes is proposed. • Transient solutions route depends on the temporal high order scheme employed. • ESDIRK scheme for two-phase flows events exhibits high computational performance. • Computational implementation of the ESDIRK scheme can be done in a very easy manner. - Abstract: An extension for 1-D transient two-phase flows of the SIMPLE-ESDIRK method, initially developed for incompressible viscous flows by Ijaz is presented. This extension is motivated by the high temporal order of accuracy demanded to cope with fast phase change events. This methodology is suitable for boiling heat exchangers, solar thermal receivers, etc. The methodology of the solution consist in a finite volume staggered grid discretization of the governing equations in which the transient terms are treated with the explicit first stage singly diagonally implicit Runge-Kutta (ESDIRK) method. It is suitable for stiff differential equations, present in instant boiling or condensation processes. It is combined with the semi-implicit pressure linked equations algorithm (SIMPLE) for the calculation of the pressure field. The case of study consists of the numerical reproduction of the Bartolomei upward boiling pipe flow experiment. The steady-state validation of the numerical algorithm is made against these experimental results and well known numerical results for that experiment. In addition, a detailed study reveals the benefits over the first order Euler Backward method when applying 3rd and 4th order schemes, making emphasis in the behaviour when the system is subjected to periodic square wave wall heat function disturbances, concluding that the use of the ESDIRK method in two-phase calculations presents remarkable accuracy and computational advantages.

The phase diagram of KNO3-KClO3

International Nuclear Information System (INIS)

Zhang Xuejun; Tian Jun; Xu Kangcheng; Gao Yici

2004-01-01

The binary phase diagram of KNO 3 -KClO 3 is studied by means of differential scanning calorimetry (DSC) and high-temperature X-ray diffraction. The limited solid solutions, K(NO 3 ) 1-x (ClO 3 ) x (0 3 ) 1-x (ClO 3 ) x (0.90 3 -based solid solutions and KClO 3 -based solid solutions phase, respectively. For KNO 3 -based solid solutions, KNO 3 ferroelectric phase can be stable from 423 to 223 K as a result of substituting of NO 3 by ClO 3 -radicals. The temperatures for solidus and liquidus have been determined based on limited solid solutions. Two models, Henrian solution and regular solution theory for KNO 3 -based (α) phase and KClO 3 -based (β) phase, respectively, are employed to reproduce solidus and liquidus of the phase diagram. The results are in good agreement with the DSC data. The thermodynamic properties for α and β solid solutions have been derived from an optimization procedure using the experimental data. The calculated phase diagram and optimized thermodynamic parameters are thermodynamically self-consistent

Formation of Microcracks During Micro-Arc Oxidation in a Phytic Acid-Containing Solution on Two-Phase AZ91HP

Science.gov (United States)

Zhang, R. F.; Chang, W. H.; Jiang, L. F.; Qu, B.; Zhang, S. F.; Qiao, L. P.; Xiang, J. H.

2016-04-01

Micro-arc oxidation (MAO) is an effective method to produce ceramic coatings on magnesium alloys and can considerably improve their corrosion resistance. The coating properties are closely related with microcracks, which are always inevitably developed on the coating surface. In order to find out the formation and development regularity of microcracks, anodic coatings developed on two-phase AZ91HP after different anodizing times were fabricated in a solution containing environmentally friendly organic electrolyte phytic acid. The results show that anodic film is initially developed on the α phase. At 50 s, anodic coatings begin to develop on the β phase, evidencing the formation of a rough area. Due to the coating successive development, the microcracks initially appear at the boundary between the initially formed coating on the α phase and the subsequently developed coating on the β phase. With the prolonging treatment time, the microcracks near the β phase become evident. After treating for 3 min, the originally rough area on the β phase disappears and the coatings become almost uniform with microcracks randomly distributed on the sample surface. Inorganic phosphates are found in MAO coatings, suggesting that phytate salts are decomposed due to the high instantaneous temperature on the sample surface resulted from spark discharge.

Effects of gamma radiation on phase behaviour and critical micelle concentration of Triton X-100 aqueous solutions

International Nuclear Information System (INIS)

Valdes Diaz, G.; Rodriguez-Calvo, S.; Perez-Gramatges, A.; Rapado-Paneque, M.; Fernandez-Lima, F. A.; Ponciano, C. R.; Silveira, E. F. . E-mail. apgram@instec.cu

2007-01-01

Ionising radiation used for sterilisation can have an effect on the physico-chemical properties of pharmaceutically relevant excipient systems, affecting therefore the stability of the formulation. The effect of gamma irradiation on the phase behaviour (cloud point - CP) and critical micelle concentration (CMC) of aqueous solutions of Triton X-100, used as a model nonionic surfactant, is investigated in this paper. Micellar solutions irradiated with ?-rays in a dose range between 0 and 70 kGy, including the sterilisation range of pharmaceutical preparations, were analysed using mass spectrometry. Results show a slight shift in molecular mass distribution of ethoxylated surfactant, which indicates degradation of polyethoxylated chains by water radical attacks. This fact, combined with the formation of cross-linked species, is considered to be responsible for the decrease observed in CP and CMC values of micellar solutions at all absorbed doses. There is no spectroscopic evidence of radiation damage to aromatic ring or hydrocarbon tail of surfactant. Models based on Flory-Huggins theory were employed to estimate CP from changes in mass distribution and to obtain cross-linking fractions. (Author)

Incentives to create and sustain healthy behaviors: technology solutions and research needs.

Science.gov (United States)

Teyhen, Deydre S; Aldag, Matt; Centola, Damon; Edinborough, Elton; Ghannadian, Jason D; Haught, Andrea; Jackson, Theresa; Kinn, Julie; Kunkler, Kevin J; Levine, Betty; Martindale, Valerie E; Neal, David; Snyder, Leslie B; Styn, Mindi A; Thorndike, Frances; Trabosh, Valerie; Parramore, David J

2014-12-01

Health-related technology, its relevance, and its availability are rapidly evolving. Technology offers great potential to minimize and/or mitigate barriers associated with achieving optimal health, performance, and readiness. In support of the U.S. Army Surgeon General's vision for a "System for Health" and its Performance Triad initiative, the U.S. Army Telemedicine and Advanced Technology Research Center hosted a workshop in April 2013 titled "Incentives to Create and Sustain Change for Health." Members of government and academia participated to identify and define the opportunities, gain clarity in leading practices and research gaps, and articulate the characteristics of future technology solutions to create and sustain real change in the health of individuals, the Army, and the nation. The key factors discussed included (1) public health messaging, (2) changing health habits and the environmental influence on health, (3) goal setting and tracking, (4) the role of incentives in behavior change intervention, and (5) the role of peer and social networks in change. This report summarizes the recommendations on how technology solutions could be employed to leverage evidence-based best practices and identifies gaps in research where further investigation is needed. Reprint & Copyright © 2014 Association of Military Surgeons of the U.S.

Radiotherapy physics research in the UK: challenges and proposed solutions

Science.gov (United States)

Mackay, R I; Burnet, N G; Green, S; Illidge, T M; Staffurth, J N

2012-01-01

In 2011, the Clinical and Translational Radiotherapy Research Working Group (CTRad) of the National Cancer Research Institute brought together UK radiotherapy physics leaders for a think tank meeting. Following a format that CTRad had previously and successfully used with clinical oncologists, 23 departments were asked to complete a pre-meeting evaluation of their radiotherapy physics research infrastructure and the strengths, weaknesses, opportunities and threats within their own centre. These departments were brought together with the CTRad Executive Group and research funders to discuss the current state of radiotherapy physics research, perceived barriers and possible solutions. In this Commentary, we summarise the submitted materials, presentations and discussions from the meeting and propose an action plan. It is clear that there are challenges in both funding and staffing of radiotherapy physics research. Programme and project funding streams sometimes struggle to cater for physics-led work, and increased representation on research funding bodies would be valuable. Career paths for academic radiotherapy physicists need to be examined and an academic training route identified within Modernising Scientific Careers; the introduction of formal job plans may allow greater protection of research time, and should be considered. Improved access to research facilities, including research linear accelerators, would enhance research activity and pass on developments to patients more quickly; research infrastructure could be benchmarked against centres in the UK and abroad. UK National Health Service departments wishing to undertake radiotherapy research, with its attendant added value for patients, need to develop a strategy with their partner higher education institution, and collaboration between departments may provide enhanced opportunities for funded research. PMID:22972972

The eigenvalue problem in phase space.

Science.gov (United States)

Cohen, Leon

2018-06-30

We formulate the standard quantum mechanical eigenvalue problem in quantum phase space. The equation obtained involves the c-function that corresponds to the quantum operator. We use the Wigner distribution for the phase space function. We argue that the phase space eigenvalue equation obtained has, in addition to the proper solutions, improper solutions. That is, solutions for which no wave function exists which could generate the distribution. We discuss the conditions for ascertaining whether a position momentum function is a proper phase space distribution. We call these conditions psi-representability conditions, and show that if these conditions are imposed, one extracts the correct phase space eigenfunctions. We also derive the phase space eigenvalue equation for arbitrary phase space distributions functions. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Soil conditions under a Fagus sylvatica CONECOFOR stand in Central Italy: an integrated assessment through combined solid phase and solution studies

Directory of Open Access Journals (Sweden)

Guido SANESI

2002-09-01

Full Text Available As soil solution represents the major phase of soil chemical reactions, its study is a powerful tool for ecological investigations. Soil solution chemical composition gives a realistic idea about the soil chemical components immediately available in the environment, mainly in relation to the soil ecosystem reaction to the disturbance due to acidifying loads. Within the CONECOFOR Program, the monitoring of forest soil conditions was performed in a level II plot (ABR I, under a Fagus sylvatica (European beech stand, through the study of throughfall and soil solutions collected from depths ranging between the base of the litter layers and 90 cm. To be able to investigate solution contents of nutrients, acidifying agents and DOC throughout the profile, both zero tension and tension lysimeters were used. The first ones were inserted below the organic horizons, while tension lysimeters were placed within the mineral horizons at 15, 25, 55 and 90 cm depth. Sampled solutions were analyzed for Na, K, Ca, Mg, NH4, Cl, F, NO3, SO4, and DOC. The results evidence a clear seasonal pattern, mainly for macronutrients and inorganic N components. Acidic pulses were mostly evident below the organic horizons, in relation to strong nitric N releases from litter; these last were not always immediately neutralized by basic cations. Acid solutions leaving the organic horizons were invariably neutralized in the surface mineral horizons, within 15 cm depth. Temporal patterns of sulphate retention and release suggest that the soil has low retention capability for this anion. Such behaviour can be explained by the composition of the solid phase, where potential anion adsorbants appear strongly linked with organic matter in long residence time complexes. Sulphate and nitrate loading of this soil appear, anyway, to be mostly non-anthropogenic, but rather linked to natural mineralization pulses and, for sulphate, to aeolian solid transport from the south.

Extraction of Oxytetracycline Hydrochloride in Aqueous Two-phase System of Acetone and Ammonium Sulfate

International Nuclear Information System (INIS)

Han, J.

2013-01-01

Summary: Aqueous two-phase system (ATPS) is an efficient implement for separation of various substrates, and extracted by an aqueous two-phase system has been successful ly applied in the downstream processing of various biological compounds. In this research, the extraction of oxytetracycline hydrochloride (OTC-HCl) was carried out in an aqueous two-phase system containing acetone and ammonium sulfate solution, which partitioned the antibiotic to the upper phase. The effects of some parameters on the extraction efficiency of OTC-HCl were studied in detail, including temperature, the volume of acetone, the pH value of ammonium sulfate solution, the concentrations of (NH/sub 4/)/sub 2/ SO/sub 4/ and OTC-HCl. The results showed that the volume of acetone, the pH value of ammonium sulfate solution and the concentration of OTC-HCl in feed had significant effects on the extraction efficiency of OTC-HCl, but the effects of temperature on the extraction of OTC-HCl was not obvious. (author)

Extraction of Oxytetracycline Hydrochloride in Aqueous Two-phase System of Acetone and Ammonium Sulfate

Energy Technology Data Exchange (ETDEWEB)

Han, J. [Jiangsu Univ., Zhenjiang (China). Dept. of Food and Biological Engineering

2013-02-15

Summary: Aqueous two-phase system (ATPS) is an efficient implement for separation of various substrates, and extracted by an aqueous two-phase system has been successful ly applied in the downstream processing of various biological compounds. In this research, the extraction of oxytetracycline hydrochloride (OTC-HCl) was carried out in an aqueous two-phase system containing acetone and ammonium sulfate solution, which partitioned the antibiotic to the upper phase. The effects of some parameters on the extraction efficiency of OTC-HCl were studied in detail, including temperature, the volume of acetone, the pH value of ammonium sulfate solution, the concentrations of (NH/sub 4/)/sub 2/ SO/sub 4/ and OTC-HCl. The results showed that the volume of acetone, the pH value of ammonium sulfate solution and the concentration of OTC-HCl in feed had significant effects on the extraction efficiency of OTC-HCl, but the effects of temperature on the extraction of OTC-HCl was not obvious. (author)

Small Business Innovation Research. Abstracts of Phase I awards, 1999

Energy Technology Data Exchange (ETDEWEB)

None

1999-12-01

This booklet presents technical abstracts of Phase I awards made in Fiscal Year (FY) 1999 under the DOE Small Business Innovation Research (SBIR) program. SBIR research explores innovative concepts in important technological and scientific areas that can lead to valuable new technology and products. The work described in the abstracts is novel, high-risk research, but the benefits will also be potentially high if the objectives are met. Brief comments on the potential applications, as described by the awardee, are given after each abstract. Individuals and organizations, including venture capital and larger industrial firms, with an interest in the research described in any of the abstracts are encouraged to contact the appropriate small business directly.

Innovative Approaches in Chronic Disease Management: Health Literacy Solutions and Opportunities for Research Validation.

Science.gov (United States)

Villaire, Michael; Gonzalez, Diana Peña; Johnson, Kirby L

2017-01-01

This chapter discusses the need for innovative health literacy solutions to combat extensive chronic disease prevalence and costs. The authors explore the intersection of chronic disease management and health literacy. They provide specific examples of successful health literacy interventions for managing several highly prevalent chronic diseases. This is followed by suggestions on pairing research and practice to support effective disease management programs. In addition, the authors discuss strategies for collection and dissemination of knowledge gained from collaborations between researchers and practitioners. They identify current challenges specific to disseminating information from the health literacy field and offer potential solutions. The chapter concludes with a brief look at future directions and organizational opportunities to integrate health literacy practices to address the need for effective chronic disease management.

Mean-field solution of the Potts glass near the transition temperature to the ordered phase

Czech Academy of Sciences Publication Activity Database

Janiš, Václav; Klíč, Antonín

2011-01-01

Roč. 84, č. 6 (2011), "064446-1"-"064446-10" ISSN 1098-0121 Institutional research plan: CEZ:AV0Z10100520 Keywords : Potts glass * hierarchic solutions with replicated spins * continuous replica-symmetry breaking Subject RIV: BE - Theoretical Physics Impact factor: 3.691, year: 2011

Molecular thermodynamics using fluctuation solution theory

DEFF Research Database (Denmark)

Ellegaard, Martin Dela

. The framework relates thermodynamic variables to molecular pair correlation functions of liquid mixtures. In this thesis, application of the framework is illustrated using two approaches: 1. Solubilities of solid solutes in mixed solvent systems are determined from fluctuation solution theory application......Properties of chemicals and their mutual phase equilibria are critical variables in process design. Reliable estimates of relevant equilibrium properties, from thermodynamic models, can form the basis of good decision making in the development phase of a process design, especially when access...... to relevant experimental data is limited. This thesis addresses the issue of generating and using simple thermodynamic models within a rigorous statistical mechanical framework, the so-called fluctuation solution theory, from which relations connecting properties and phase equilibria can be obtained...

Density Functional Theory for Phase-Ordering Transitions

Energy Technology Data Exchange (ETDEWEB)

Wu, Jianzhong [Univ. of California, Riverside, CA (United States)

2016-03-30

Colloids display astonishing structural and dynamic properties that can be dramatically altered by modest changes in the solution condition or an external field. This complex behavior stems from a subtle balance of colloidal forces and intriguing mesoscopic and macroscopic phase transitions that are sensitive to the processing conditions and the dispersing environment. Whereas the knowledge on the microscopic structure and phase behavior of colloidal systems at equilibrium is now well-advanced, quantitative predictions of the dynamic properties and the kinetics of phase-ordering transitions in colloids are not always realized. Many important mesoscopic and off-equilibrium colloidal states remain poorly understood. The proposed research aims to develop a new, unifying approach to describe colloidal dynamics and the kinetics of phase-ordering transitions based on accomplishments from previous work for the equilibrium properties of both uniform and inhomogeneous systems and on novel concepts from the state-of-the-art dynamic density functional theory. In addition to theoretical developments, computational research is designed to address a number of fundamental questions on phase-ordering transitions in colloids, in particular those pertinent to a competition of the dynamic pathways leading to various mesoscopic structures, off-equilibrium states, and crystalline phases. By providing a generic theoretical framework to describe equilibrium, metastable as well as non-ergodic phase transitions concurrent with the colloidal self-assembly processes, accomplishments from this work will have major impacts on both fundamental research and technological applications.

Optics Challenges and Solutions for the LHC Insertion Upgrade Phase I

CERN Document Server

Fartoukh, S

2010-01-01

The goal of the LHC Insertion (IR) Upgrade Phase-I is to enable a reliable operation of the machine with a performance at least doubled with respect to its design luminosity. One key ingredient is ideally a reduction of Beta* down to 25 cm, using a new inner triplet (IT) with longer Nb-Ti quadrupoles operating at a lower gradient (~ 120 T/m) and therefore offering a larger aperture (120 mm). Reducing Beta*, but also operating at a lower IT gradient (which, at a given Beta*, further increases the size of the Beta-functions all over the long straight section), has however a certain number of drawbacks which cannot be solved by only increasing the aperture of the new low-beta quadrupoles. Without modifying the current layout of the matching section (MS) and assuming that the arc sextupoles cannot safely operate above nominal current (550A), optics solutions with a Beta* of 30 cm are already at the edge of feasibility, both in terms of mechanical aperture in the MS and new IT (assuming 120 mm aperture), in terms ...

Effect of Foam on Liquid Phase Mobility in Porous Media

DEFF Research Database (Denmark)

Eftekhari, Ali Akbar; Farajzadeh, R.

2017-01-01

We investigate the validity of the assumption that foam in porous media reduces the mobility of gas phase only and does not impact the liquid-phase mobility. The foam is generated by simultaneous injection of nitrogen gas and a surfactant solution into sandstone cores and its strength is varied...... by changing surfactant type and concentration. We find, indeed, that the effect of foam on liquid-phase mobility is not pronounced and can be ignored. Our new experimental results and analyses resolve apparent discrepancies in the literature. Previously, some researchers erroneously applied relative...

Research ICT Africa - Phase III | CRDI - Centre de recherches pour ...

International Development Research Centre (IDRC) Digital Library (Canada)

Launched in 2003, Research ICT Africa (RIA) has successfully conducted demand- and supply-side studies with a view to better understanding information and communication technology (ICT) access and usage in Africa. The network expanded over the first two phases of support (101584 and 103114) to include members ...

Selected topics in solution-phase biomolecular NMR spectroscopy

Science.gov (United States)

Kay, Lewis E.; Frydman, Lucio

2017-05-01

Solution bio-NMR spectroscopy continues to enjoy a preeminent role as an important tool in elucidating the structure and dynamics of a range of important biomolecules and in relating these to function. Equally impressive is how NMR continues to 'reinvent' itself through the efforts of many brilliant practitioners who ask increasingly demanding and increasingly biologically relevant questions. The ability to manipulate spin Hamiltonians - almost at will - to dissect the information of interest contributes to the success of the endeavor and ensures that the NMR technology will be well poised to contribute to as yet unknown frontiers in the future. As a tribute to the versatility of solution NMR in biomolecular studies and to the continued rapid advances in the field we present a Virtual Special Issue (VSI) that includes over 40 articles on various aspects of solution-state biomolecular NMR that have been published in the Journal of Magnetic Resonance in the past 7 years. These, in total, help celebrate the achievements of this vibrant field.

CERPHASE: Computer-generated phase diagrams

International Nuclear Information System (INIS)

Ruys, A.J.; Sorrell, C.C.; Scott, F.H.

1990-01-01

CERPHASE is a collection of computer programs written in the programming language basic and developed for the purpose of teaching the principles of phase diagram generation from the ideal solution model of thermodynamics. Two approaches are used in the generation of the phase diagrams: freezing point depression and minimization of the free energy of mixing. Binary and ternary phase diagrams can be generated as can diagrams containing the ideal solution parameters used to generate the actual phase diagrams. Since the diagrams generated utilize the ideal solution model, data input required from the operator is minimal: only the heat of fusion and melting point of each component. CERPHASE is menu-driven and user-friendly, containing simple instructions in the form of screen prompts as well as a HELP file to guide the operator. A second purpose of CERPHASE is in the prediction of phase diagrams in systems for which no experimentally determined phase diagrams are available, enabling the estimation of suitable firing or sintering temperatures for otherwise unknown systems. Since CERPHASE utilizes ideal solution theory, there are certain limitations imposed on the types of systems that can be predicted reliably. 6 refs., 13 refs

Phase separation and formation of omega phase in the beta matrix of a Ti-V-Cu alloy

Energy Technology Data Exchange (ETDEWEB)

Ng, H.P. [ARC Centre of Excellence for Design in Light Metals, Department of Materials Engineering, Monash University, Victoria 3800 (Australia); Devaraj, A.; Nag, S. [Center for Advanced Research and Technology, Department of Materials Science and Engineering, University of North Texas, Denton, TX (United States); Bettles, C.J. [ARC Centre of Excellence for Design in Light Metals, Department of Materials Engineering, Monash University, Victoria 3800 (Australia); Gibson, M. [CSIRO Process Science and Engineering, Locked Bag 10, Clayton South, Victoria 3169 (Australia); Fraser, H.L. [Center for the Accelerated Maturation of Materials, Department of Materials Science and Engineering, The Ohio State University, Columbus, OH (United States); Muddle, B.C. [ARC Centre of Excellence for Design in Light Metals, Department of Materials Engineering, Monash University, Victoria 3800 (Australia); Banerjee, R., E-mail: rajarshi.banerjee@unt.edu [Center for Advanced Research and Technology, Department of Materials Science and Engineering, University of North Texas, Denton, TX (United States)

2011-05-15

The formation of the {omega} phase in the presence of simultaneous development of compositional modulations (or phase separation) within the body-centered cubic {beta} matrix phase of a Ti-10V-6Cu (wt.%) alloy during continuous cooling has been investigated using a combination of transmission electron microscopy and atom probe tomography. While a water quench from the high-temperature {beta} phase field allows apparently athermal formation of {omega} domains without any significant partitioning of solute or modulation in matrix composition, subsequent annealing at 500 {sup o}C for just 60 s leads to unusually rapid growth of the {omega} domains concurrent with, but apparently independent of, a slower development of finer-scale modulations in solute composition occurring apparently uniformly across both {omega} and {beta} phases. In contrast, on slower air cooling from the solution treatment temperature, there are pronounced compositional fluctuations within the {beta} phase, presumably as a product of spinodal decomposition, that are detectable prior to the formation of {omega} phase. The {omega} phase subsequently forms preferentially in solute-depleted regions of the matrix {beta}, with a composition reflecting the local matrix composition and a solute content significantly lower than the average matrix composition. As a result, it has a cuboidal morphology, distinguishably different from the elliposoidal form that is observed in samples water-quenched and annealed at 500 deg. C.

Behavior of neutral solutes in pressurized flow driven electrochromatography using a mixed stationary phase of ODS and anion-exchange.

Science.gov (United States)

Kitagawa, Shinya; Tsuda, Takao

2003-05-02

The behavior of neutral sample solutes in pressurized flow driven electrochromatography using a mixed stationary phase, which consisted of ODS and anion-exchange (ODS-SAX), was studied. Applications of both positive and negative voltage on a column induced increases in retention factors of sample solutes. The direction of an electroosmotic flow under applications of positive and negative voltage were the same, therefore, the sign of the surface charge density under positive and negative voltage was opposite. We proposed a new equation for the relationship between applied voltage and surface charge density, and the practical electroosmotic flow conformed to this equation. Studying the electroosmotic flow using our proposed equation revealed that the applied negative voltage accelerates the protonation of the quaternary ammonium group and dissociation of the silanol group on packing materials. The retention behavior of a neutral solute was affected by the existence of the charged functional groups. We propose that this phenomenon is applicable to the control of the retention behavior of a sample solute using an electric field.

Surface modeling and chemical solution deposition of SrO(SrTiO3)n Ruddlesden-Popper phases

International Nuclear Information System (INIS)

Zschornak, M.; Gemming, S.; Gutmann, E.; Weissbach, T.; Stoecker, H.; Leisegang, T.; Riedl, T.; Traenkner, M.; Gemming, T.; Meyer, D.C.

2010-01-01

Strontium titanate (STO) is a preferred substrate material for functional oxide growth, whose surface properties can be adjusted through the presence of Ruddlesden-Popper (RP) phases. Here, density functional theory (DFT) is used to model the (1 0 0) and (0 0 1) surfaces of SrO(SrTiO 3 ) n RP phases. Relaxed surface structures, electronic properties and stability relations have been determined. In contrast to pure STO, the near-surface SrO-OSr stacking fault can be employed to control surface roughness by adjusting SrO and TiO 2 surface rumpling, to stabilize SrO termination in an SrO-rich surrounding or to increase the band gap in the case of TiO 2 termination. RP thin films have been epitaxially grown on (0 0 1) STO substrates by chemical solution deposition. In agreement with DFT results, the fraction of particular RP phases n = 1-3 changes with varying heating rate and molar ratio Sr:Ti. This is discussed in terms of bulk formation energy.

Is community-based electrocardiography education feasible in the early phase of an undergraduate medical curriculum?

Directory of Open Access Journals (Sweden)

Carol O. Larson

2017-10-01

Full Text Available Accreditation authorities expect medical schools to increase their teaching standards and civic engagement, despite limited resources. The aim of this study was to investigate the feasibility of community-based (CB electrocardiography (ECG instruction in semesters 4and/or 5 of the undergraduate MBChB programme at the University of the Free State in Bloemfontein, South Africa. A literature review and 34 structured interviews were employed, using a mixed-methods QUAN (þqual research design. Regarding the preclinical phase, 18 interviewees strongly supported community-based learning (CBL and 21strongly supported task-based (TB CBL. Responses were more conservative regarding the practicability of TB CBL. Twenty-two interviewees supported preclinical phase ECG-specific CBL. There was more support for implementing CB ECG in the clinical phase than in the preclinical phase. Challenges identified included finances, transport, personnel availability, clinic space, curriculum time constraints, student and driver absenteeism, and ethical aspects. Solutions for the preclinical phase included combining electrocardiography with other CBL tasks. Many interviewees supported preclinical phase TB CBL, although several factors determine its feasibility. Availability of human and other resources and curriculum time significantly impact CB ECG learning. Solutions necessitate additional location-specific research.

AOI 1— COMPUTATIONAL ENERGY SCIENCES:MULTIPHASE FLOW RESEARCH High-fidelity multi-phase radiation module for modern coal combustion systems

Energy Technology Data Exchange (ETDEWEB)

Modest, Michael

2013-11-15

The effects of radiation in particle-laden flows were the object of the present research. The presence of particles increases optical thickness substantially, making the use of the “optically thin” approximation in most cases a very poor assumption. However, since radiation fluxes peak at intermediate optical thicknesses, overall radiative effects may not necessarily be stronger than in gas combustion. Also, the spectral behavior of particle radiation properties is much more benign, making spectral models simpler (and making the assumption of a gray radiator halfway acceptable, at least for fluidized beds when gas radiation is not large). On the other hand, particles scatter radiation, making the radiative transfer equation (RTE) much more di fficult to solve. The research carried out in this project encompassed three general areas: (i) assessment of relevant radiation properties of particle clouds encountered in fluidized bed and pulverized coal combustors, (ii) development of proper spectral models for gas–particulate mixtures for various types of two-phase combustion flows, and (iii) development of a Radiative Transfer Equation (RTE) solution module for such applications. The resulting models were validated against artificial cases since open literature experimental data were not available. The final models are in modular form tailored toward maximum portability, and were incorporated into two research codes: (i) the open-source CFD code OpenFOAM, which we have extensively used in our previous work, and (ii) the open-source multi-phase flow code MFIX, which is maintained by NETL.

Fabrication of platinum nanoparticles in aqueous solution and solid phase using amphiphilic PB-b-PEO copolymer nanoreactors

International Nuclear Information System (INIS)

Hoda, Numan; Budama, Leyla; Çakır, Burçin Acar; Topel, Önder; Ozisik, Rahmi

2013-01-01

Graphical abstract: TEM image of Pt nanoparticles produced by reducing by NaBH 4 within PB-b-PEO micelles in aqueous media (scale bar 1 nm). - Highlights: • Pt nanoparticles were synthesized within amphiphilic diblock copolymer micelles. • The effects of reducing agents and precursor dose on Pt np size were investigated. • The effect on fabrication of Pt np by reducing in aqueous and solid phases was compared. • The size of nanoparticles was about 1.4 nm for all doses and reducing agents types. - Abstract: Fabrication of Pt nanoparticles using an amphiphilic copolymer template in aqueous solution was achieved via polybutadiene-block-polyethyleneoxide copolymer micelles, which acted as nanoreactors. In addition, Pt nanoparticles were synthesized using hydrogen gas as the reducing agent in solid state for the first time to compare against solution synthesis. The influences of loaded precursor salt amount to micelles and the type of reducing agent on the size of nanoparticles were investigated through transmission electron microscopy. It was found that increasing the ratio of precursor salt to copolymer and using different type of reducing agent, even in solid phase reduction, did not affect the nanoparticle size. The average size of Pt nanoparticles was estimated to be 1.4 ± 0.1 nm. The reason for getting same sized nanoparticles was discussed in the light of nucleation, growth process, stabilization and diffusion of nanoparticles within micelles

New Directions of Research in Molecules and Materials

Indian Academy of Sciences (India)

Wintec

New Directions of Research in Molecules and Materials. Foreword. 'Materials' has ... Solution phase chemistry is a central aspect of materials as demonstrated by. Panchakarla and ... Changes at the atomic scale affect bulk properties such as ...

Small business innovation research. Abstracts of 1988 phase 1 awards

Science.gov (United States)

1990-01-01

Non-proprietary proposal abstracts of Phase 1 Small Business Innovation Research (SBIR) projects supported by NASA are presented. Projects in the fields of aeronautical propulsion, aerodynamics, acoustics, aircraft systems, materials and structures, teleoperators and robots, computer sciences, information systems, data processing, spacecraft propulsion, bioastronautics, satellite communication, and space processing are covered.

Solute transport in aggregated and layered porous media

International Nuclear Information System (INIS)

Koch, S.

1993-01-01

This work is a contribution to research in soil physics dealing with solute transport in porous media. The influence of structural inhomogeneities on solute transport is investigated. Detailed experiments at the laboratory scale are used to enlighten distinct processes which cannot be studied separately at field scale. Two main aspects are followed up: (i) to show the influence of aggregation of a porous medium on breakthrough time and spreading of an inert tracer and consequences on the estimation of parameter values of models describing solute transport in aggregated systems, (ii) to investigate the influences on the dispersion process when stratification is perpendicular to the direction of flow. Several concepts of modelling solute transport in soil are discussed. Models based on the convection-dispersion equation (CDE) are emphasized because they are used here to model solute transport experiments conducted with aggregated porous media. Stochastic concepts are introduced to show the limitations of the deterministic CDE approaches. Experiments are done in columns containing two kinds of solid phases and were saturated with water. The solid phases are porous and solid glass beads exhibiting a distinctly unimodal or bimodal pore size distribution. Experimental breakthrough curves (BTCs) are modelled with the CDE, a bicontinuum model with a phenomenological mass transfer rate and a bicontinuum spherical diffusion model. Experiments are also done in columns that are unsaturated containing porous materials that are layered. Flow is made at a steady rate. It is shown that layer boundaries have a severe influence on lateral mixing. They may force streamlines to converge or cause a lateral redistribution of solutes. (author) figs., tabs., 122 refs

Evaluation of the low corrosion resistant phase formed during the sigma phase precipitation in duplex stainless steels

Directory of Open Access Journals (Sweden)

Darlene Yuko Kobayashi

1999-10-01

Full Text Available The duplex stainless steels, having a volumetric fraction of 50% ferrite and 50% austenite, conciliate high corrosion resistance with good mechanical properties. But, in many circumstances different phase transformations may occur, such as that responsible for sigma phase precipitation, which make the steel susceptible to localized corrosion. During the sigma phase precipitation a new austenitic phase is formed with a very low corrosion resistance. In the present research the composition of this new austenitic phase was evaluated in four duplex stainless steels, with different Mo, N and Cu contents. After the solution anneal at 1050 °C, samples of these steels were aged at 850 °C during 1 h and 5 h for sigma phase precipitation. Using the ferritoscope and an image analyzer it was possible to determine the volumetric fractions of ferrite and sigma phase, respectively, while those of austenite and the new austenitic phase were determined by difference to 100% volume. Finally, by using mass balance it was possible to determine theoretically the composition of the new austenitic phase. This phase is poor in Cr and Mo free, which explains its poor corrosion resistance.

Corrosion of non-irradiated UAl{sub x}-Al fuel in the presence of clay pore solution. A quantitative XRD secondary phase analysis applying the DDM method

Energy Technology Data Exchange (ETDEWEB)

Neumann, Andreas [Halle-Wittenberg Univ. (Germany). Dept. of Mineralogy and Geochemistry; RWTH Aachen Univ. (Germany). Inst. of Crystallography; Klinkenberg, Martina; Curtius, Hildegard [Forschungszentrum Juelich GmbH (Germany). Inst. of Energy and Climate Research, IEK-6 Nuclear Waste Management

2017-04-01

Corrosion experiments with non-irradiated metallic UAl{sub x}-Al research reactor fuel elements were carried out in autoclaves to identify and quantify the corrosion products. Such compounds, considering the long-term safety assessment of final repositories, can interact with the released inventory and this constitutes a sink for radionuclide migration in formation waters. Therefore, the metallic fuel sample was subjected to clay pore solution to investigate its process of disintegration by analyzing the resulting products and the remnants, i.e. the secondary phases. Due to the fast corrosion rate a full sample disintegration was observed within the experimental period of 1 year at 90 C. The obtained solids were subdivided into different grain size fractions and prepared for analysis. The elemental analysis of the suspension showed that, uranium and aluminum are concentrated in the solids, whereas iron was mainly dissolved. Non-ambient X-ray diffraction (XRD) combined with the derivative difference minimization (DDM) method was applied for the qualitative and quantitative phase analysis (QPA) of the secondary phases. Gypsum and hemihydrate (bassanite), residues of non-corroded nuclear fuel, hematite, and goethite were identified. The quantitative phase analysis showed that goethite is the major crystalline phase. The amorphous content exceeded 80 wt% and hosted the uranium. All other compounds were present to a minor content. The obtained results by XRD were well supported by complementary scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS) analysis.

Phase-field model and its numerical solution for coring and microstructure evolution studies in alloys

Science.gov (United States)

Turchi, Patrice E. A.; Fattebert, Jean-Luc; Dorr, Milo R.; Wickett, Michael E.; Belak, James F.

2011-03-01

We describe an algorithm for the numerical solution of a phase-field model (PFM) of microstructure evolution in alloys using physical parameters from thermodynamic (CALPHAD) and kinetic databases. The coupled system of PFM equations includes a local order parameter, a quaternion representation of local crystal orientation and a species composition parameter. Time evolution of microstructures and alloy composition is obtained using an implicit time integration of the system. Physical parameters in databases can be obtained either through experiment or first-principles calculations. Application to coring studies and microstructure evolution of Au-Ni will be presented. Prepared by LLNL under Contract DE-AC52-07NA27344

Automating Phase Change Lines and Their Labels Using Microsoft Excel(R).

Science.gov (United States)

Deochand, Neil

2017-09-01

Many researchers have rallied against drawn in graphical elements and offered ways to avoid them, especially regarding the insertion of phase change lines (Deochand, Costello, & Fuqua, 2015; Dubuque, 2015; Vanselow & Bourret, 2012). However, few have offered a solution to automating the phase labels, which are often utilized in behavior analytic graphical displays (Deochand et al., 2015). Despite the fact that Microsoft Excel® is extensively utilized by behavior analysts, solutions to resolve issues in our graphing practices are not always apparent or user-friendly. Considering the insertion of phase change lines and their labels constitute a repetitious and laborious endeavor, any minimization in the steps to accomplish these graphical elements could offer substantial time-savings to the field. The purpose of this report is to provide an updated way (and templates in the supplemental materials) to add phase change lines with their respective labels, which stay embedded to the graph when they are moved or updated.

Unexpectedly normal phase behavior of single homopolymer chains

International Nuclear Information System (INIS)

Paul, W.; Strauch, T.; Rampf, F.; Binder, K.

2007-01-01

Employing Monte Carlo simulations, we show that the topology of the phase diagram of a single flexible homopolymer chain changes in dependence on the range of an attractive square well interaction between the monomers. For a range of attraction larger than a critical value, the equilibrium phase diagram of the single polymer chain and the corresponding polymer solution phase diagram exhibit vapor (swollen coil, dilute solution), liquid (collapsed globule, dense solution), and solid phases. Otherwise, the liquid-vapor transition vanishes from the equilibrium phase diagram for both the single chain and the polymer solution. This change in topology of the phase diagram resembles the behavior known for colloidal dispersions. The interplay of enthalpy and conformational entropy in the polymer case thus can lead to the same topology of phase diagrams as the interplay of enthalpy and translational entropy in simple liquids

A Designer Fluid for Aluminum Phase Change Devices, Vol. 1 of 3: General Inorganic Aqueous Solution (IAS) Chemistry

Science.gov (United States)

2016-11-17

out in wicked phase change heat transfer devices. Wen [18] used nanoparticle suspensions to successfully increase the boiling heat transfer...Aqueous Solution of an Anionic Surfactant,” Journal of Heat Transfer 122, No. 4: 708. [18] Wen , D. and Ding, Y., 2005, “Experimental Investigation...Li, Y., 1974, “Diffusion of Ions in Sea Water and in Deep -Sea Sediments,” Geochimica et Cosmochimica Acta, Vol. 88, pp. 703-714. [36] Negishi, K

Radionuclide release from research reactor spent fuel

Energy Technology Data Exchange (ETDEWEB)

Curtius, H., E-mail: h.curtius@fz-juelich.de [Forschungszentrum Juelich, Institut fuer Energieforschung, IEF-6 Sicherheitsforschung und Reaktortechnik, Geb. 05.3, D-52425 Juelich (Germany); Kaiser, G.; Mueller, E.; Bosbach, D. [Forschungszentrum Juelich, Institut fuer Energieforschung, IEF-6 Sicherheitsforschung und Reaktortechnik, Geb. 05.3, D-52425 Juelich (Germany)

2011-09-01

Numerous investigations with respect to LWR fuel under non oxidizing repository relevant conditions were performed. The results obtained indicate slow corrosion rates for the UO{sub 2} fuel matrix. Special fuel-types (mostly dispersed fuels, high enriched in {sup 235}U, cladded with aluminium) are used in German research reactors, whereas in German nuclear power plants, UO{sub 2}-fuel (LWR fuel, enrichment in {sup 235}U up to 5%, zircaloy as cladding) is used. Irradiated research reactor fuels contribute less than 1% to the total waste volume. In Germany, the state is responsible for fuel operation and for fuel back-end options. The institute for energy research (IEF-6) at the Research Center Juelich performs investigation with irradiated research reactor spent fuels under repository relevant conditions. In the study, the corrosion of research reactor spent fuel has been investigated in MgCl{sub 2}-rich salt brine and the radionuclide release fractions have been determined. Leaching experiments in brine with two different research reactor fuel-types were performed in a hot cell facility in order to determine the corrosion behaviour and the radionuclide release fractions. The corrosion of two dispersed research reactor fuel-types (UAl{sub x}-Al and U{sub 3}Si{sub 2}-Al) was studied in 400 mL MgCl{sub 2}-rich salt brine in the presence of Fe{sup 2+} under static and initially anoxic conditions. Within these experimental parameters, both fuel types corroded in the experimental time period of 3.5 years completely, and secondary alteration phases were formed. After complete corrosion of the used research reactor fuel samples, the inventories of Cs and Sr were quantitatively detected in solution. Solution concentrations of Am and Eu were lower than the solubility of Am(OH){sub 3}(s) and Eu(OH){sub 3}(s) solid phases respectively, and may be controlled by sorption processes. Pu concentrations may be controlled by Pu(IV) polymer species, but the presence of Pu(V) and Pu

Caractérisation des solutions de tensio-actif utilisées en récupération assistée Characterization of Surfactant Solutions Used in Enhanced Recovery

Directory of Open Access Journals (Sweden)

Moulu J. C.

2006-11-01

Full Text Available Des solutions de tensio-actif sont étudiées en vue de déterminer celles qui doivent être les plus efficaces pour le déplacement d'huile résiduelle en milieu poreux. Selon les propriétés de ces solutions au moment de leur injection, un banc d'huile se forme rapidement et progresse au niveau du front de tensio-actif, ou au contraire, les globules d'huile sont entraînés avec une vitesse faible dans l'ensemble du bouchon, les échanges entre les phases peuvent alors être importants. On a donc cherché à évaluer les caractéristiques des solutions en tenant compte des échanges qu'elles ont pu avoir avec l'huile et en particulier dans les deux cas extrêmes : solutions aqueuses sans huile et solutions équilibrées avec un grand volume d'huile. Pour ces deux états des solutions aqueuses, on a mis en évidence des comportements rhéologiques et interfaciaux très différents, dus à la migration d'alcool et d'huile entre les phases en présence. Ces propriétés des solutions de tensio-actif ont par ailleurs été reliées à la présence de structures cristallines et à leur transformation au cours des échanges qui se produisent. Research is being done on surfactant solutions to determine the ones that should be the most efficient for driving residual oil in porous media. Depending on the properties of these solutions at the time of their injection, an oil bank is formed quickly and progresses at the level of the surfactant front or, on the contrary, the oil ganglia are displaced slowly in the slug as a whole, and exchanges between the phases may then be great. Therefore, an effort was made to assess the characteristics of solutions while considering the exchanges they may have had with the oil, and particularly in the two extreme cases, i. e. aqueous solutions without oil and equilibrated solutions with a large volume of oil. For these two states of aqueous solutions, very different rheological and interfacial behaviors were found as

The next phase in professional services research: From implementation to sustainability.

Science.gov (United States)

Crespo-Gonzalez, Carmen; Garcia-Cardenas, Victoria; Benrimoj, Shalom I

The provision of professional pharmacy services has been heralded as the professional and the economic future of pharmacy. There are different phases involved in a service creation including service design, impact evaluation, implementation and sustainability. The two first phases have been subject to extensive research. In the last years the principles of Implementation science have been applied in pharmacy to study the initial uptake and integration of evidence-based services into routine practice. However, little attention has been paid to the sustainability of those services, during which there is a continued use of the service previously implemented to achieve and sustain long-term outcomes. The objective of this commentary is to describe the differences and common characteristics between the implementation and the sustainability phase and to propose a definition for pharmacy. A literature search was performed. Four critical elements were identified: 1. The aim of the implementation phase is to incorporate new services into practice, the sustainability phase's aim is to make the services routine to achieve and sustain long-term benefits 2. At the implementation phase planned activities are used as a process to integrate the new service, at the sustainability phase there is a continuous improvement of the service 3. The implementation phase occurs during the period of time between the adoption of a service and its integration. Some authors suggest the sustainability phase is a concomitant phase with the implementation phase and others suggest it is independent 4. There is a lack of consensus regarding the duration of each phase. The following definition of sustainability for pharmacy services is proposed: "Sustainability is a phase in the process of a professional pharmacy service, in which the service previously integrated into practice during the implementation phase is routinized and institutionalized over time to achieve and sustain the expected service

Precipitation in Al–Mg solid solution prepared by solidification under high pressure

International Nuclear Information System (INIS)

Jie, J.C.; Wang, H.W.; Zou, C.M.; Wei, Z.J.; Li, T.J.

2014-01-01

The precipitation in Al–Mg solid solution containing 21.6 at.% Mg prepared by solidification under 2 GPa was investigated. The results show that the γ-Al 12 Mg 17 phase is formed and the β′ phase cannot be observed in the solid solution during ageing process. The precipitation of γ and β phases takes place in a non-uniform manner during heating process, i.e. the γ and β phases are first formed in the interdendritic region, which is caused by the inhomogeneous distribution of Mg atoms in the solid solution solidified under high pressure. Peak splitting of X-ray diffraction patterns of Al(Mg) solid solution appears, and then disappears when the samples are aged at 423 K for different times, due to the non-uniform precipitation in Al–Mg solid solution. The direct transformation from the γ to β phase is observed after ageing at 423 K for 24 h. It is considered that the β phase is formed through a peritectoid reaction of α + γ → β which needs the diffusion of Mg atoms across the interface of α/γ phases. - Highlights: • The γ phase is formed and the β′ phase is be observed in Al(Mg) solid solution. • Peak splitting of XRD pattern of Al(Mg) solid solution appears during aged at 150 °C. • The β phase is formed through a peritectoid reaction of α + γ → β

Two-liquid-phase boundaries and critical phenomena at 275 to 4000C for high-temperature aqueous potassium phosphate and sodium phosphate solutions. Potential applications for steam generators

International Nuclear Information System (INIS)

Marshall, W.L.

1982-01-01

Two-liquid-phase boundaries at temperatures between 275 and 400 0 C were determined for potassium phosphate and sodium phosphate aqueous solutions for compositions from 0 to 60 wt % dissolved salt. The stoichiometric mole ratios, K/PO 4 or Na/PO 4 , were varied from 1.00 to 2.12 and from 1.00 to 2.16 for the potassium and sodium systems, respectively. Liquid-vapor critical temperatures were also determined for most of the dilute liquid phases that formed. The minimum temperatures (below which a single solution existed) of two-liquid-phase formation were 360 0 C for the potassium system and 279 0 C for the sodium system at mole ratios of 2.00 and 2.16, respectively. For the sodium system at mole ratios greater than 2.16, solids crystallized at lower temperatures as expected from earlier studies. In contrast, potassium solutions that were explored at mole ratios from 2.12 to 3.16 and at temperatures below 360 0 C did not produce solid phases or liquid-liquid immisibilities. Aside from the generally unusual observations of two immiscible liquids in an aqueous inorganic salt system, the results could possibly be applied to the use of phosphate additives in steam power generators

A complete solution of cartographic displacement based on elastic beams model and Delaunay triangulation

Science.gov (United States)

Liu, Y.; Guo, Q.; Sun, Y.

2014-04-01

In map production and generalization, it is inevitable to arise some spatial conflicts, but the detection and resolution of these spatial conflicts still requires manual operation. It is become a bottleneck hindering the development of automated cartographic generalization. Displacement is the most useful contextual operator that is often used for resolving the conflicts arising between two or more map objects. Automated generalization researches have reported many approaches of displacement including sequential approaches and optimization approaches. As an excellent optimization approach on the basis of energy minimization principles, elastic beams model has been used in resolving displacement problem of roads and buildings for several times. However, to realize a complete displacement solution, techniques of conflict detection and spatial context analysis should be also take into consideration. So we proposed a complete solution of displacement based on the combined use of elastic beams model and constrained Delaunay triangulation (CDT) in this paper. The solution designed as a cyclic and iterative process containing two phases: detection phase and displacement phase. In detection phase, CDT of map is use to detect proximity conflicts, identify spatial relationships and structures, and construct auxiliary structure, so as to support the displacement phase on the basis of elastic beams. In addition, for the improvements of displacement algorithm, a method for adaptive parameters setting and a new iterative strategy are put forward. Finally, we implemented our solution on a testing map generalization platform, and successfully tested it against 2 hand-generated test datasets of roads and buildings respectively.

Solid phase extraction of uranium and thorium on octadecyl bonded silica modified with Cyanex 302 from aqueous solutions

International Nuclear Information System (INIS)

Nilchi, A.; Shariati Dehaghan, T.; Rasouli Garmarodi, S.

2013-01-01

A simple and reliable method for rapid extraction and determination of uranium and thorium using octadecyl-bonded silica modified with Cyanex 302 is presented. Extraction efficiency and the influence of various parameters such as aqueous phase pH, flow rate of sample solution and amount of extractant has been investigated. The study showed that the extraction of uranium and thorium increase with increasing pH value and was found to be quantitative at pH 6; and the retention of ions was not affected significantly by the flow rate of sample solution. The extraction percent were found to be 89.55 and 86.27 % for uranium and thorium, respectively. The maximal capacity of the cartridges modified by 30 mg of Cyanex 302 was found to be 20 mg of uranium and thorium. The method was successfully applied to the extraction and determination of uranium and thorium in aqueous solutions. The percentage recovery of uranium and thorium in a number of natural as well as seawater samples of Iran were also investigated and found to be in the range of 85-95%. (author)

Intermolecular interactions in the condensed phase

DEFF Research Database (Denmark)

Christensen, Anders S.; Kromann, Jimmy Charnley; Jensen, Jan Halborg

2017-01-01

To facilitate further development of approximate quantum mechanical methods for condensed phase applications, we present a new benchmark dataset of intermolecular interaction energies in the solution phase for a set of 15 dimers, each containing one charged monomer. The reference interaction energy...... and solution phases. As most approximate QM methods are parametrized and evaluated using data measured or calculated in the gas phase, the dataset represents an important first step toward calibrating QM based methods for application in the condensed phase where polarization and exchange repulsion need...

Small business innovation research: Abstracts of 1984. Phase 1 awards

Science.gov (United States)

1985-01-01

On September 27, 1984, the National Aeronautics and Space Administration announced the selection of Phase I projects for the Small Business Innovation Research Program. These awards resulted from the evaluation of proposals submitted in response to the 1984 Program Solicitation, SBIR 84-1. In order to make available information on the technical content of the Phase I projects supported by the NASA SBIR Program, the abstracts of those proposals which resulted in awards of contracts are given. In addition, the name and address of the firm performing the work are given for those who may desired additional information about the project. Propulsion, aerodynamics, computer techniques, exobiology and composite materials are among the areas covered.

Research on one-dimensional two-phase flow

International Nuclear Information System (INIS)

Adachi, Hiromichi

1988-10-01

In Part I the fundamental form of the hydrodynamic basic equations for a one-dimensional two-phase flow (two-fluid model) is described. Discussions are concentrated on the treatment of phase change inertial force terms in the equations of motion and the author's equations of motion which have a remarkable uniqueness on the following three points. (1) To express force balance of unit mass two-phase fluid instead of that of unit volume two-phase fluid. (2) To pick up the unit existing mass and the unit flowing mass as the unit mass of two-phase fluid. (3) To apply the kinetic energy principle instead of the momentum low in the evaluation of steady inertial force term. In these three, the item (1) is for excluding a part of momentum change or kinetic energy change due to mass change of the examined part of fluid, which is independent of force. The item (2) is not to introduce a phenomenological physical model into the evaluation of phase change inertial force term. And the item (3) is for correctly applying the momentum law taking into account the difference of representative velocities between the main flow fluid (vapor phase or liquid phase) and the phase change part of fluid. In Part II, characteristics of various kinds of high speed two-phase flow are clarified theoretically by the basic equations derived. It is demonstrated that the steam-water two-phase critical flow with violent flashing and the airwater two-phase critical flow without phase change can be described with fundamentally the same basic equations. Furthermore, by comparing the experimental data from the two-phase critical discharge test and the theoretical prediction, the two-phase discharge coefficient, C D , for large sharp-edged orifice is determined as the value which is not affected by the experimental facility characteristics, etc. (author)

Chemical stability of oseltamivir in oral solutions.

Science.gov (United States)

Albert, K; Bockshorn, J

2007-09-01

The stability of oseltamivir in oral aqueous solutions containing the preservative sodium benzoate was studied by a stability indicating HPLC-method. The separation was achieved on a RP-18 ec column using a gradient of mobile phase A (aqueous solution of 50 mM ammonium acetate) and mobile phase B (60% (v/v) acetonitrile/40% (v/v) mobile phase A). The assay was subsequently validated according to the ICH guideline Q2(R1). The extemporaneously prepared "Oseltamivir Oral Solution 15 mg/ml for Adults or for Children" (NRF 31.2.) according to the German National Formulary ("Neues Rezeptur-Formularium") was stable for 84 days if stored under refrigeration. After storage at 25 degrees C the content of oseltamivir decreased to 98.4%. Considering the toxicological limit of 0.5% of the 5-acetylamino derivative (the so-called isomer I) the solution is stable for 46 days. Oseltamivir was less stable in a solution prepared with potable water instead of purified water. Due to an increasing pH the stability of this solution decreased to 14 days. Furthermore a white precipitate of mainly calcium phosphate was observed. The addition of 0.1% anhydrous citric acid avoided these problems and improved the stability of the solution prepared with potable water to 63 days. Sodium benzoate was stable in all oral solutions tested.

Application of solution-mineral equilibrium chemistry to solution mining of uranium ores

International Nuclear Information System (INIS)

Riese, A.C.; Popp, C.J.

1979-01-01

The tests described were undertaken to determine the extent to leach solution-rock interactions with uranium-bearing ore obtained from the Mariano Lake mine. Leach solutions of an acidic (H/sub 2/O/sub 4/-sulfuric acid) and basic (NaHCO/sub 3/-sodium bicarbonate) nature were tested, in addition to a leach solution containing potassium chloride and sulfuric acid (KCl/H/sub 2/SO/sub 4/). The latter solution was chosen in an attempt to equilibrate the aqueous phase with the rock-forming silicate minerals and minimize adverse effects such as clay formation, porosity loss, and lixiviant loss. 29 refs

Smart solutions for low-income buildings rehabilitation: international researches and experiences

Directory of Open Access Journals (Sweden)

Eugenio Arbizzani

2015-11-01

Full Text Available Smart City concept briefly refers to a sustainable city where innovative Smart strategies will be adopted to an efficient management of resources flows and social interoperability. Aligned with the most relevant European research experiences, the paper describes the relations between an on-going research from the PDTA Dept., centered on a knowledge platform tool for energy-efficient interactive buildings design, and the contribution of the ELIH-MED project on the use of industrialized solutions and smart devices during the rehabilitation process in Mediterranean low-income housings. A pilot project in the Spanish climate context reveals the important role of Smart Monitoring Devices to encourage energy savings and tackle recognized needs through a participative process where stakeholders and beneficiaries are actively involved.

Scaled Model Technology for Flight Research of General Aviation Aircraft, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — Our proposed future Phase II activities are aimed at developing a scientifically based "tool box" for flight research using scaled models. These tools will be of...

Understanding the Conceptual Development Phase of Applied Theory-Building Research: A Grounded Approach

Science.gov (United States)

Storberg-Walker, Julia

2007-01-01

This article presents a provisional grounded theory of conceptual development for applied theory-building research. The theory described here extends the understanding of the components of conceptual development and provides generalized relations among the components. The conceptual development phase of theory-building research has been widely…

Reduced analysis and confirmatory research on co-adaptability theoretical solution to conflicting events in construction engineering projects

Institute of Scientific and Technical Information of China (English)

无

2010-01-01

The co-adaptability theoretical solution to conflicting events in construction engineering projects has three problems. First, the transformation of constraint conditions of theoretical solution is very difficult in practical engineering applications; second, some coefficients are difficult to be determined; third, there are overfull circular arithmetic operations involved in it. To resolve these problems, a new method to reduce the theoretical solution complications is proposed. By analyzing the operating mechanism of theoretical solution model, redundancies in the theoretical solution can be eliminated, and the ISM mapping with the co-adaptability solution can be set up. Based on this approach, a procedure to solve practical conflicting events in construction projects is established by replacing characteristic variables with mathematic variables. The research results show that the procedure can replace the co-adaptability theoretical solution effectively and solve practical conflicting events in construction projects.

Effect of isotopic substitution upon the gas phase and solution electron affinities of nitrobenzene

International Nuclear Information System (INIS)

Stevenson, G.R.; Reiter, R.C.; Espe, M.E.; Bartmess, J.E.

1987-01-01

Ion cyclotron resonance and electron spin resonance have been utilized to determine the equilibrium constant for the electron transfer from the nitrobenzene anion radical to 15 N labeled nitrobenzene (Ph 14 NO 2 - + Ph 15 NO 2 ↔ Ph 14 NO 2 + Ph 15 NO 2 9 . It was found that the equilibrium constant is within experimental error of unity at 305 K. Molecular orbital calculations indicate that this might be accounted for by the shortening of the C-N bond and a counterbalancing lengthening of the N-O bonds upon electron attachment to nitrobenzene. An equilibrium constant that is much larger than unity can be observed in liquid ammonia at 208 K when K + serves as the gegenion (K/sub eq/ = 2.1). However, when Na + serves as the gegenion, the solution electron affinity of Ph 14 NO 2 is greater than that of Ph 15 NO 2 (K/sub eq/ = 0.4). These results are explained in terms of ion association. When the hydrogen atoms are replaced with deuteriums, the gas phase electron affinity is decreased. A similar decrease is observed in liquid ammonia. In the gas phase this is attributed to the slight lengthening of all the C-H bonds upon electron attachment

Solubility and hydrolysis of Np(V) in dilute to concentrated alkaline NaCl solutions. Formation of Na-Np(V)-OH solid phases at 22 C

Energy Technology Data Exchange (ETDEWEB)

Petrov, Vladimir G. [Lomonosov Moscow State Univ. (Russian Federation). Dept. of Chemistry; Fellhauer, David; Gaona, Xavier; Dardenne, Kathy; Rothe, Joerg; Altmaier, Marcus [Karlsruhe Institute of Technology (Germany). Inst. for Nuclear Waste Disposal; Kalmykov, Stepan N. [Lomonosov Moscow State Univ. (Russian Federation). Dept. of Chemistry; NRC Kurchatov Institute, Moscow (Russian Federation)

2017-03-01

The solubility of Np(V) was investigated at T=22±2 C in alkaline NaCl solutions of different ionic strength (0.1-5.0 M). The solid phases controlling the solubility at different -log{sub 10} m{sub H{sup +}}(pH{sub m}) and NaCl concentration were characterized by XRD, quantitative chemical analysis, SEM-EDS and XAFS (both XANES and EXAFS). Aqueous phases in equilibrium with Np(V) solids were investigated for selected samples within 8.9≤pH{sub m}≤10.3 by UV-vis/NIR absorption spectroscopy. In 0.1 M NaCl, the experimental solubility of the initial greenish NpO{sub 2}OH(am) solid phase is in good agreement with previous results obtained in NaClO{sub 4} solutions, and is consistent with model calculations for fresh NpO{sub 2}OH(am) using the thermodynamic data selection in NEA-TDB. Below pH{sub m}∝11.5 and for all NaCl concentrations studied, Np concentration in equilibrium with the solid phase remained constant during the timeframe of this study (∝2 years). This observation is in contrast to the aging of the initial NpO{sub 2}OH(am) into a more crystalline modification with the same stoichiometry, NpO{sub 2}OH(am, aged), as reported in previous studies for concentrated NaClO{sub 4} and NaCl. Instead, the greenish NpO{sub 2}OH(am) transforms into a white solid phase in those systems with [NaCl]≥1.0 M and pH{sub m}≥11.5, and into two different pinkish phases above pH{sub m}∝13.2. The solid phase transformation is accompanied by a drop in Np solubility of 0.5-2 log{sub 10}-units (depending upon NaCl concentration). XANES analyses of green, white and pink phases confirm the predominance of Np(V) in all cases. Quantitative chemical analysis shows the incorporation of Na{sup +} in the original NpO{sub 2}OH(am) material, with Na:Np ≤ 0.3 for the greenish solids and 0.8 ≤ Na:Np ≤ 1.6 for the white and pinkish phases. XRD data confirms the amorphous character of the greenish phase, whereas white and pink solids show well-defined but discrepant XRD patterns

Advanced Envelope Research for Factory Built Housing, Phase 3 -- Whole-House Prototyping

Energy Technology Data Exchange (ETDEWEB)

Levy, E.; Mullens, M.; Rath, P.

2014-04-01

The Advanced Envelope Research effort will provide factory homebuilders with high performance, cost-effective envelope designs that can be effectively integrated into the plant production process while meeting the thermal requirements of the 2012 IECC standards. Given the affordable nature of manufactured homes, impact on first cost is a major consideration in developing new envelope technologies. This work is part of a multi-phase effort. Phase 1 identified seven envelope technologies and provided a preliminary assessment of three methods for building high performance walls. Phase 2 focused on developing viable product designs, manufacturing strategies, addressing code and structural issues, and cost analysis of the three selected options. An industry advisory committee helped narrow the research focus to perfecting a stud wall design with exterior continuous insulation (CI). Phase 3, completed in two stages, continued the design development effort, exploring and evaluating a range or methods for applying CI to factory built homes. The scope also included material selection, manufacturing and cost analysis, and prototyping and testing. During this phase, a home was built with CI, evaluated, and placed in service. The experience of building a mock up wall section with CI and then constructing on line a prototype home resolved important concerns about how to integrate the material into the production process. First steps were taken toward finding least expensive approaches for incorporating CI in standard factory building practices and a preliminary assessment suggested that even at this early stage the technology is attractive when viewed from a life cycle cost perspective.

Investigation into isomolar series of Al(NO/sub 3/)/sub 3/, Na/sub 3/VO/sub 4/ solution mixture and composition of solid phases

Energy Technology Data Exchange (ETDEWEB)

Chernysh, L F; Nakhodnova, A P; Makarova, R A [Donetskij Gosudarstvennyj Univ. (Ukrainian SSR)

1979-11-01

Conducted is investigation of properties of isomolar series of aluminium nitrate and sodium vanadate solutions at pH of the latter 12.5; 10.0; 7.0 and the temperature of 25 deg C using the methods of pH-metry, conductometry, ''seeming'' volume of precipitations, residual concentration of aluminium and vanadium. It is shown, that the composition property diagram of the system investigated does not reflect the true composition of solid-phase products of the reaction, which depends on the component ratio in solution. Bottom phases of isomolar series are mainly heterogeneous. At the excess of sodium vanadate solution and its high pH values conditions for the basic salt formation are created. At pH of the Na/sub 3/VO/sub 4/ solution of 12.5 and 10.0 and Al(NO/sub 3/)/sub 3/: Na/sub 3/VO/sub 4/ ratios 4:6 and 3:7 respectively obtained are the basic aluminium vanadates of the (AlOH)/sub 3/(VO/sub 4/)/sub 2/x 7.5H/sub 2/O and (AlOH)/sub 2/V/sub 2/O/sub 7/x5H/sub 2/O composition, some of their physicochemical properties being investigated.

Three-dimensional electron diffraction as a complementary technique to powder X-ray diffraction for phase identification and structure solution of powders

Directory of Open Access Journals (Sweden)

Yifeng Yun

2015-03-01

Full Text Available Phase identification and structure determination are important and widely used techniques in chemistry, physics and materials science. Recently, two methods for automated three-dimensional electron diffraction (ED data collection, namely automated diffraction tomography (ADT and rotation electron diffraction (RED, have been developed. Compared with X-ray diffraction (XRD and two-dimensional zonal ED, three-dimensional ED methods have many advantages in identifying phases and determining unknown structures. Almost complete three-dimensional ED data can be collected using the ADT and RED methods. Since each ED pattern is usually measured off the zone axes by three-dimensional ED methods, dynamic effects are much reduced compared with zonal ED patterns. Data collection is easy and fast, and can start at any arbitrary orientation of the crystal, which facilitates automation. Three-dimensional ED is a powerful technique for structure identification and structure solution from individual nano- or micron-sized particles, while powder X-ray diffraction (PXRD provides information from all phases present in a sample. ED suffers from dynamic scattering, while PXRD data are kinematic. Three-dimensional ED methods and PXRD are complementary and their combinations are promising for studying multiphase samples and complicated crystal structures. Here, two three-dimensional ED methods, ADT and RED, are described. Examples are given of combinations of three-dimensional ED methods and PXRD for phase identification and structure determination over a large number of different materials, from Ni–Se–O–Cl crystals, zeolites, germanates, metal–organic frameworks and organic compounds to intermetallics with modulated structures. It is shown that three-dimensional ED is now as feasible as X-ray diffraction for phase identification and structure solution, but still needs further development in order to be as accurate as X-ray diffraction. It is expected that three

Three-dimensional electron diffraction as a complementary technique to powder X-ray diffraction for phase identification and structure solution of powders.

Science.gov (United States)

Yun, Yifeng; Zou, Xiaodong; Hovmöller, Sven; Wan, Wei

2015-03-01

Phase identification and structure determination are important and widely used techniques in chemistry, physics and materials science. Recently, two methods for automated three-dimensional electron diffraction (ED) data collection, namely automated diffraction tomography (ADT) and rotation electron diffraction (RED), have been developed. Compared with X-ray diffraction (XRD) and two-dimensional zonal ED, three-dimensional ED methods have many advantages in identifying phases and determining unknown structures. Almost complete three-dimensional ED data can be collected using the ADT and RED methods. Since each ED pattern is usually measured off the zone axes by three-dimensional ED methods, dynamic effects are much reduced compared with zonal ED patterns. Data collection is easy and fast, and can start at any arbitrary orientation of the crystal, which facilitates automation. Three-dimensional ED is a powerful technique for structure identification and structure solution from individual nano- or micron-sized particles, while powder X-ray diffraction (PXRD) provides information from all phases present in a sample. ED suffers from dynamic scattering, while PXRD data are kinematic. Three-dimensional ED methods and PXRD are complementary and their combinations are promising for studying multiphase samples and complicated crystal structures. Here, two three-dimensional ED methods, ADT and RED, are described. Examples are given of combinations of three-dimensional ED methods and PXRD for phase identification and structure determination over a large number of different materials, from Ni-Se-O-Cl crystals, zeolites, germanates, metal-organic frameworks and organic compounds to intermetallics with modulated structures. It is shown that three-dimensional ED is now as feasible as X-ray diffraction for phase identification and structure solution, but still needs further development in order to be as accurate as X-ray diffraction. It is expected that three-dimensional ED methods

Nanofluid two-phase flow and thermal physics: a new research frontier of nanotechnology and its challenges.

Science.gov (United States)

Cheng, Lixin; Bandarra Filho, Enio P; Thome, John R

2008-07-01

Nanofluids are a new class of fluids engineered by dispersing nanometer-size solid particles in base fluids. As a new research frontier, nanofluid two-phase flow and thermal physics have the potential to improve heat transfer and energy efficiency in thermal management systems for many applications, such as microelectronics, power electronics, transportation, nuclear engineering, heat pipes, refrigeration, air-conditioning and heat pump systems. So far, the study of nanofluid two-phase flow and thermal physics is still in its infancy. This field of research provides many opportunities to study new frontiers but also poses great challenges. To summarize the current status of research in this newly developing interdisciplinary field and to identify the future research needs as well, this paper focuses on presenting a comprehensive review of nucleate pool boiling, flow boiling, critical heat flux, condensation and two-phase flow of nanofluids. Even for the limited studies done so far, there are some controversies. Conclusions and contradictions on the available nanofluid studies on physical properties, two-phase flow, heat transfer and critical heat flux (CHF) are presented. Based on a comprehensive analysis, it has been realized that the physical properties of nanofluids such as surface tension, liquid thermal conductivity, viscosity and density have significant effects on the nanofluid two-phase flow and heat transfer characteristics but the lack of the accurate knowledge of these physical properties has greatly limited the study in this interdisciplinary field. Therefore, effort should be made to contribute to the physical property database of nanofluids as a first priority. Secondly, in particular, research on nanofluid two-phase flow and heat transfer in microchannels should be emphasized in the future.

Two-phase framework for optimal multi-target Lambert rendezvous

OpenAIRE

Bang, Jun; Ahn, Jaemyung

2017-01-01

This paper proposes a two-phase framework to solve an optimal multi-target Lambert rendezvous problem. The first phase solves a series of single-target rendezvous problems for all departure-arrival object pairs to generate the elementary solutions, which provides candidate rendezvous trajectories (elementary solutions). The second phase formulates a variant of traveling salesman problem (TSP) using the elementary solutions prepared in the first phase and determines the best rendezvous sequenc...

Rheological characterization of chicory root (Cichorium intybus L. inulin solution

Directory of Open Access Journals (Sweden)

J. T. C. L. Toneli

2008-09-01

Full Text Available Inulin is a polysaccharide frequently used as a sugar or fat replacer in the food industry, which offers the advantage of a functional effect similar to those of dietary fibers. By cooling or freezing an inulin concentrated solution, a more concentrated solution precipitates as a paste-like substance, while the liquid phase forms a diluted solution. In this work, the effect of storage temperature of inulin concentrated solution as well as temperature on the rheological behavior of liquid and precipitated phases obtained from a process of phase separation were evaluated. The precipitated phase of inulin was evaluated under two conditions: pure and formulated with encapsulating agents. It was observed that a reduction in storage temperature resulted in a higher inulin precipitation, which produced higher apparent viscosity values for the precipitated phase. All the samples analyzed had a shear-thinning rheological behavior.

Small Business Innovation Research. Abstracts of Phase I awards, 1999; TOPICAL

International Nuclear Information System (INIS)

1999-01-01

This booklet presents technical abstracts of Phase I awards made in Fiscal Year (FY) 1999 under the DOE Small Business Innovation Research (SBIR) program. SBIR research explores innovative concepts in important technological and scientific areas that can lead to valuable new technology and products. The work described in the abstracts is novel, high-risk research, but the benefits will also be potentially high if the objectives are met. Brief comments on the potential applications, as described by the awardee, are given after each abstract. Individuals and organizations, including venture capital and larger industrial firms, with an interest in the research described in any of the abstracts are encouraged to contact the appropriate small business directly

An approach to the research on ion and water properties in the interphase between the plasma membrane and bulk extracellular solution.

Science.gov (United States)

Hibino, Hiroshi; Takai, Madoka; Noguchi, Hidenori; Sawamura, Seishiro; Takahashi, Yasufumi; Sakai, Hideki; Shiku, Hitoshi

2017-07-01

In vivo, cells are immersed in an extracellular solution that contains a variety of bioactive substances including ions and water. Classical electrophysiological analyses of epithelial cells in the stomach and small intestine have revealed that within a distance of several hundred micrometers above their apical plasma membrane, lies an extracellular layer that shows ion concentration gradients undetectable in the bulk phase. This "unstirred layer", which contains stagnant solutes, may also exist between the bulk extracellular solution and membranes of other cells in an organism and may show different properties. On the other hand, an earlier study using a bacterial planar membrane indicated that H + released from a transporter migrates in the horizontal direction along the membrane surface much faster than it diffuses vertically toward the extracellular space. This result implies that between the membrane surface and unstirred layer, there is a "nanointerface" that has unique ionic dynamics. Advanced technologies have revealed that the nanointerface on artificial membranes possibly harbors a highly ordered assembly of water molecules. In general, hydrogen bonds are involved in formation of the ordered water structure and can mediate rapid transfer of H + between neighboring molecules. This description may match the phenomenon on the bacterial membrane. A recent study has suggested that water molecules in the nanointerface regulate the gating of K + channels. Here, the region comprising the unstirred layer and nanointerface is defined as the interphase between the plasma membrane and bulk extracellular solution (iMES). This article briefly describes the physicochemical properties of ions and water in the iMES and their physiological significance. We also describe the methodologies that are currently used or will be applicable to the interphase research.

2008 Summer Research Institute Interfacial and Condensed Phase Chemical Physics Annual Report

Energy Technology Data Exchange (ETDEWEB)

Garrett, Bruce C.; Tonkyn, Russell G.; Avery, Nachael B.

2008-11-01

For the fifth year, the Pacific Northwest National Laboratory in Richland, Washington, invited graduate students, postdoctoral fellows, university faculty, and students entering graduate students from around the world to participate in the Summer Research Institute in Interfacial and Condensed Phase Chemical Physics. The institute offers participants the opportunity to gain hands-on experience in top-notch research laboratories while working along internationally respected mentors. Of the 38 applicants, 20 were accepted for the 8- to 10-week program. The participants came from universities as close as Seattle and Portland and as far away as Germany and Singapore. At Pacific Northwest National Laboratory, the 20 participants were mentored by 13 scientists. These mentors help tailor the participant’s experience to the needs of that person. Further, the mentors provide guidance on experimental and theoretical techniques, research design and completion, and other aspects of scientific careers in interfacial and condensed phase chemical physics. The research conducted at the institute can result in tangible benefits for the participants. For example, many have co-authored papers that have been published in peer-reviewed journals, including top-rated journals such as Science. Also, they have presented their research at conferences, such as the Gordon Research Conference on Dynamics at Surfaces and the AVS national meeting. Beyond that, many of the participants have started building professional connections with researchers at Pacific Northwest National Laboratory, connections that will serve them well during their careers.

Hydrogeological characterization on surface-based investigation phase in the Mizunami underground research laboratory project, in Japan

International Nuclear Information System (INIS)

Saegusa, Hiromitsu; Onoe, Hironori; Takeuchi, Shinji; Takeuchi, Ryuji; Ohyama, Takuya

2007-01-01

The Mizunami Underground Research Laboratory (MIU) project is being carried out by Japan Atomic Energy Agency in the Cretaceous Toki granite in the Tono area, central Japan. The MIU project is a purpose-built generic underground research laboratory project that is planned for a broad scientific study of the deep geological environment as a basis of research and development for geological disposal of nuclear wastes. One of the main goals of the MIU project is to establish comprehensive techniques for investigation, analysis, and assessment of the deep geological environment. The MIU project has three overlapping phases: Surface-based Investigation (Phase I), Construction (Phase II) and Operation (Phase III). Hydrogeological investigations using a stepwise process in Phase I have been carried out in order to obtain information on important properties such as, location of water conducting features, hydraulic conductivity and so on. Hydrogeological modeling and groundwater flow simulations in Phase I have been carried out in order to synthesize these investigation results, to evaluate the uncertainty of the hydrogeological model and to identify the main issues for further investigations. Using the stepwise hydrogeological characterization approach and combining the investigation with modeling and simulation, understanding of the hydrogeological environment has been progressively improved. (authors)

Phase separation and shape deformation of two-phase membranes

International Nuclear Information System (INIS)

Jiang, Y.; Lookman, T.; Saxena, A.

2000-01-01

Within a coupled-field Ginzburg-Landau model we study analytically phase separation and accompanying shape deformation on a two-phase elastic membrane in simple geometries such as cylinders, spheres, and tori. Using an exact periodic domain wall solution we solve for the shape and phase separating field, and estimate the degree of deformation of the membrane. The results are pertinent to preferential phase separation in regions of differing curvature on a variety of vesicles. (c) 2000 The American Physical Society

Bonding and orientation of 1,4-benzenedimethanethiol on Au(111) prepared from solution and from gas phase

International Nuclear Information System (INIS)

Pasquali, L; Terzi, F; Zanardi, C; Seeber, R; Paolicelli, G; Mahne, N; Nannarone, S

2007-01-01

The orientation and bonding of 1,4-benzenedimethanethiol molecules on Au(111) is studied by means of x-ray and ultraviolet (UV) photoemission, x-ray absorption and metastable deexcitation spectroscopy. The organic films are prepared both from solution and by exposing the clean substrate to the vapours of the substance in an evacuated environment. This leads to two different growth modes: when self-assembled monolayers (SAMs) are prepared from solution, the molecules tend to form a bilayer film with the molecules standing upright and with the molecular axis forming an angle of about 30 0 with respect to the substrate normal; when growth is carried out from the gas phase, the molecules tend to assume at the earliest stages of exposure a flat-lying configuration, with both sulfur end-groups bonding to Au; at increasing exposure the surface coverage presents a saturation and the chemisorbed molecules tend to assume an upright arrangement

Supersaturated calcium carbonate solutions are classical

Energy Technology Data Exchange (ETDEWEB)

Henzler, Katja; Fetisov, Evgenii O.; Galib, Mirza; Baer, Marcel D.; Legg, Benjamin A.; Borca, Camelia; Xto, Jacinta M.; Pin, Sonia; Fulton, John L.; Schenter, Gregory K.; Govind, Niranjan; Siepmann, J. Ilja; Mundy, Christopher J.; Huthwelker, Thomas; De Yoreo, James J.

2018-01-01

We will present a description of nucleation phenomena in the condensed phase that takes into account non-ideal solution effects associated with cluster-cluster interaction. To do this we employ aggregation-volume bias Monte Carlo simulation, making the estimation of free-energy of large pre-critical clusters of sizes 10-20 tractable. We will compare and contrast empirical potential and electronic structure (e.g. Density functional theory) based descriptions of molecular interaction associated with the nucleation of CaCO3, highlighting free-energy trends and qualitative differences in populations of pre-critical clusters as a function of supersaturation. The influence of how the precise local interaction influences the non-ideal solution behavior on the nucleation and growth processes will be highlighted. This research was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.

Hydrothermal interactions of cesium and strontium phases from spent unreprocessed fuel with basalt phases and basalts

International Nuclear Information System (INIS)

Komarneni, S.; Scheetz, B.E.; McCarthy, G.J.; Coons, W.E.

1980-03-01

This investigation is a segment of an extensive research program aimed at investigating the feasibility of long-term, subsurface storage of commercial nuclear waste. Specifically, it is anticipated that the waste will be housed in a repository mined from the basalt formations which lie beneath the Hanford Site. The elements monitored during the present experiments were Cs and Sr. These two elements represent significant biohazards if released from a repository and are the major heat producing radionuclides present in commercial radioactive waste. Several Cs phases and/or solutions were reacted with either isolated basalt phases or bulk-rock basalt, and the resulting solids and solutions were analyzed. The hydrothermal reactivity of SrZrO 3 , which is believed to be a probable host for Sr in SFE was investigated. While so far no evidence exists which indicates that Sr is present in a water soluble phase in spent fuel elements (SFE), detailed investigation of a potential hazard is warranted. This investigation has determined that some Cs compounds likely to be stable components of spent fuel (i.e., CsOH, Cs 2 MoO 4 , Cs 2 U 2 O 7 ) have significant hydrothermal solubilities. These solubilities are greatly decreased in the presence of basalt and/or basalt minerals. The decrease in the amount of Cs in solution results from reactions which form pollucite and/or CsAlSiO 4 , with the production of pollucite exceeding that of CsAlSiO 4 . Dissolution of β-Cs 2 U 2 O 7 implies solubilizing a uranium species to an undetermined extent. The production of schoepite (UO 3 .3H 2 O) during some experiments containing basalt phases, indicates a tendency to oxidize U 4+ to U 6+ . When diopside (nominally CaMgSi 2 O 6 ) and β-Cs 2 U 2 O 7 were hydrothermally reacted, at 300 0 C both UO 2 and UO 3 .3H 2 O were produced. Experiments on SrZrO 3 show it to be an unreactive phase

Significance chasing in research practice: causes, consequences and possible solutions.

Science.gov (United States)

Ware, Jennifer J; Munafò, Marcus R

2015-01-01

The low reproducibility of findings within the scientific literature is a growing concern. This may be due to many findings being false positives which, in turn, can misdirect research effort and waste money. We review factors that may contribute to poor study reproducibility and an excess of 'significant' findings within the published literature. Specifically, we consider the influence of current incentive structures and the impact of these on research practices. The prevalence of false positives within the literature may be attributable to a number of questionable research practices, ranging from the relatively innocent and minor (e.g. unplanned post-hoc tests) to the calculated and serious (e.g. fabrication of data). These practices may be driven by current incentive structures (e.g. pressure to publish), alongside the preferential emphasis placed by journals on novelty over veracity. There are a number of potential solutions to poor reproducibility, such as new publishing formats that emphasize the research question and study design, rather than the results obtained. This has the potential to minimize significance chasing and non-publication of null findings. Significance chasing, questionable research practices and poor study reproducibility are the unfortunate consequence of a 'publish or perish' culture and a preference among journals for novel findings. It is likely that top-down change implemented by those with the ability to modify current incentive structure (e.g. funders and journals) will be required to address problems of poor reproducibility. © 2014 Society for the Study of Addiction.

Advanced waste forms research and development. Final report, October 1, 1978-September 30, 1979

International Nuclear Information System (INIS)

McCarthy, G.J.

1979-08-01

Research on supercalcine-ceramics was conducted with the objectives of characterizing the phases and of applying them to fluorine-containing Thorex wastes. This report is concerned with quantitative phase analysis of complex ceramics using x-ray powder diffraction methods and with scanning transmission electron microscopy of these ceramics and its correlation with fluorite structure solid solution phase diagrams

Phase equilibrium condition of marine carbon dioxide hydrate

International Nuclear Information System (INIS)

Sun, Shi-Cai; Liu, Chang-Ling; Ye, Yu-Guang

2013-01-01

Highlights: ► CO 2 hydrate phase equilibrium was studied in simulated marine sediments. ► CO 2 hydrate equilibrium temperature in NaCl and submarine pore water was depressed. ► Coarse-grained silica sand does not affect CO 2 hydrate phase equilibrium. ► The relationship between equilibrium temperature and freezing point was discussed. - Abstract: The phase equilibrium of ocean carbon dioxide hydrate should be understood for ocean storage of carbon dioxide. In this paper, the isochoric multi-step heating dissociation method was employed to investigate the phase equilibrium of carbon dioxide hydrate in a variety of systems (NaCl solution, submarine pore water, silica sand + NaCl solution mixture). The experimental results show that the depression in the phase equilibrium temperature of carbon dioxide hydrate in NaCl solution is caused mainly by Cl − ion. The relationship between the equilibrium temperature and freezing point in NaCl solution was discussed. The phase equilibrium temperature of carbon dioxide hydrate in submarine pore water is shifted by −1.1 K to lower temperature region than that in pure water. However, the phase equilibrium temperature of carbon dioxide hydrate in mixture samples of coarsed-grained silica sand and NaCl solution is in agreement with that in NaCl solution with corresponding concentrations. The relationship between the equilibrium temperature and freezing point in mixture samples was also discussed.

stripping of uranium from DEHPA/TOPO solvent by ammonium carbonate solutions

International Nuclear Information System (INIS)

Khorfan, S.; Shino, O.; Wahood, A.; Dahdouh, A.

2002-01-01

Uranium is recovered from phosphoric acid by the DEHPA/TOPO process. In this process uranium is stripped from the loaded DEHPA/TOPO solvent in the second cycle by an ammonium carbonate solution. This paper studied stripping of uranium from 0.3 Mol DEHPA/0.075 Mol TOPO in kerosene by different ammonium carbonate solutions. The ammonium carbonate solutions tested were either made locally from ammonia and carbon dioxide gases or commercial and laboratory grades available on the market. A comparison was made between these carbonate solutions in terms of purity, stripping efficiency and phase separation. Both stripping and phase separation were carried out under different conditions of phase ratio and concentrations. The results obtained showed that ammonium carbonate prepared from direct synthesis of ammonia and carbon dioxide gases had a high purity and gave the same stripping yield as the laboratory grade. The phase separation was also slightly improved using a pure synthesized ammonium carbonate solution. the phase separation was found to be best at concentration of 0.5 Mol/L ammonium carbonate solution and at a phase A/O of 1/1 and a temperature of 50 degree centigrade. It was possible to obtain >99% yield by operating 2 stripping stages counter currently under these conditions. (authors)

Structures and solid solution mechanisms of pyrochlore phases in the systems Bi2O3-ZnO-(Nb, Ta)2O5

International Nuclear Information System (INIS)

Tan, K.B.; Khaw, C.C.; Lee, C.K.; Zainal, Z.; Miles, G.C.

2010-01-01

Research highlights: → Combined XRD and ND Rietveld structural refinement of pyrochlores. → Structures and solid solution mechanisms of Bi-pyrochlores. → Bi and Zn displaced off-centre to different 96g A-site positions. → Summary of composition-structure-property of Bi-pyrochlores. - Abstract: The crystal structures of two pyrochlore phases have been determined by Rietveld refinement of combined X-ray and neutron powder diffraction data. These are stoichiometric, Bi 1.5 ZnTa 1.5 O 7 and non-stoichiometric Bi 1.56 Zn 0.92 Nb 1.44 O 6.86 . In both structures, Zn is distributed over A- and B-sites; Bi and Zn are displaced off-centre, to different 96g A-site positions; of the three sets of oxygen positions, O(1) are full, O(2) contain vacancies and O(3) contain a small number of oxygen, again in both cases. Comparisons between these structures, those of related Sb analogues and literature reports are made.

Existence and regularity of solutions of a phase field model for solidification with convection of pure materials in two dimensions

Directory of Open Access Journals (Sweden)

Jose Luiz Boldrini

2003-11-01

Full Text Available We study the existence and regularity of weak solutions of a phase field type model for pure material solidification in presence of natural convection. We assume that the non-stationary solidification process occurs in a two dimensional bounded domain. The governing equations of the model are the phase field equation coupled with a nonlinear heat equation and a modified Navier-Stokes equation. These equations include buoyancy forces modelled by Boussinesq approximation and a Carman-Koseny term to model the flow in mushy regions. Since these modified Navier-Stokes equations only hold in the non-solid regions, which are not known a priori, we have a free boundary-value problem.

2007 Annual Report Summer Research Institute Interfacial and Condensed Phase Chemical Physics

Energy Technology Data Exchange (ETDEWEB)

Beck, Kenneth M.

2007-10-31

The Pacific Northwest National Laboratory (PNNL) hosted its fourth annual Summer Research Institute in Interfacial and Condensed Phase Chemical Physics from April through September 2007. During this time, 21 PNNL scientists hosted 23 participants from 20 different universities. Of the 23 participants, 20 were graduate students, 1 was a postdoctoral fellow, and 2 were university faculty members. This report covers the essense of the program and the research the participants performed.

Distribution of uranium and radium radionuclides in the 'solid phase-interstitial soil solution' system and their migratory properties in ecosystems

International Nuclear Information System (INIS)

Sokolik, G.A.; Ovsyannikova, S.V.; Vojnikova, E.V.; Popenya, M.V.

2008-01-01

The background content of the main alpha-emitting radionuclides of uranium and radium in the soils of the south-east territory of the Republic of Belarus has been established. The reserve of migratory active species of uranium and radium in the soils has been determined using the data on the content of the radionuclides in the interstitial soil solutions, which are the most important chain of geochemical and biological migration of the chemical elements in ecosystems. The values of radionuclides distribution coefficients in the 'solid phase - interstitial solution of soil' system were estimated. It was shown that the migratory ability of uranium in the investigated soils is higher than that of radium. A direct correlation between the contents of organic components and uranium in the soil solution has been revealed. The used approach to the investigation of the uranium and radium behavior allows comparing their abilities to the migration in dependence of the soil medium peculiarities. (authors)

Numerical-solution package for transient two-phase-flow equations

International Nuclear Information System (INIS)

Mahaffy, J.H.; Liles, D.

1982-01-01

The methods presented have proven to be extremely reliable tools for reactor safety analysis. They can handle a wide range of fluid conditions and time scales with minimal failures, while maintaining time step sizes well above those possible with most other techniques. This robustness is due not only to the finite-difference equations themselves, but also to the choice of solution technique, because poorly chosen iterative solution procedures often require a limit on the time-step size for proper convergence of the iteration

Advanced Envelope Research for Factory Built Housing, Phase 3. Whole-House Prototyping

Energy Technology Data Exchange (ETDEWEB)

Levy, E. [Advanced Residential Integrated Energy Solutions (ARIES), New York, NY (United States); Mullens, M. [Advanced Residential Integrated Energy Solutions (ARIES), New York, NY (United States); Rath, P. [Advanced Residential Integrated Energy Solutions (ARIES), New York, NY (United States)

2014-04-01

The Advanced Envelope Research effort will provide factory homebuilders with high performance, cost-effective envelope designs that can be effectively integrated into the plant production process while meeting the thermal requirements of the 2012 IECC standards. This work is part of a multiphase effort. Phase 1 identified seven envelope technologies and provided a preliminary assessment of three methods for building high performance walls. Phase 2 focused on developing viable product designs, manufacturing strategies, addressing code and structural issues, and cost analysis of the three selected options. An industry advisory committee helped narrow the research focus to perfecting a stud wall design with exterior continuous insulation (CI). This report describes Phase 3, which was completed in two stages and continued the design development effort, exploring and evaluating a range or methods for applying CI to factory built homes. The scope also included material selection, manufacturing and cost analysis, and prototyping and testing. During this phase, a home was built with CI, evaluated, and placed in service. The experience of building a mock up wall section with CI and then constructing on line a prototype home resolved important concerns about how to integrate the material into the production process. First steps were taken toward finding least expensive approaches for incorporating CI in standard factory building practices and a preliminary assessment suggested that even at this early stage the technology is attractive when viewed from a life cycle cost perspective.

Teaching Qualitative Research for Human Services Students: A Three-Phase Model

Science.gov (United States)

Goussinsky, Ruhama; Reshef, Arie; Yanay-Ventura, Galit; Yassour-Borochowitz, Dalit

2011-01-01

Qualitative research is an inherent part of the human services profession, since it emphasizes the great and multifaceted complexity characterizing human experience and the sociocultural context in which humans act. In the department of human services at Emek Yezreel College, Israel, we have developed a three-phase model to ensure a relatively…

Negative Saturation Approach for Non-Isothermal Compositional Two-Phase Flow Simulations

NARCIS (Netherlands)

Salimi, H.; Wolf, K.H.; Bruining, J.

2011-01-01

This article deals with developing a solution approach, called the non-isothermal negative saturation (NegSat) solution approach. The NegSat solution approach solves efficiently any non-isothermal compositional flow problem that involves phase disappearance, phase appearance, and phase transition.

Phase 2 of the International Piping Integrity Research Group programme

International Nuclear Information System (INIS)

Darlaston, B.J.

1994-01-01

The results of phase 1 of the International Piping Integrity Research Group (IPIRG-1) programme have been widely reported. The significance of the results is reviewed briefly, in order to put the phase 2 programme into perspective. The success of phase 1 led the participants to consider further development and validation of pipe and pipe component fracture analysis technology as part of another international group programme (IPIRG-2). The benefits of combined funding and of the technical exchanges and interactions are considered to be of significant advantage and value. The phase 2 programme has been designed with the overall objective of developing and experimentally validating methods of predicting the fracture behaviour of nuclear reactor safety-related piping, to both normal operating and accident loads. The programme will add to the engineering estimation analysis methods that have been developed for straight pipes. The pipe system tests will expand the database to include seismic loadings and flaws in fittings, such as bends, elbows and tees, as well as ''short'' cracks. The results will be used to validate further the analytical methods, expand the capability to make fittings and extend the quasi-static results for the USNRC's new programme on short cracks in piping and piping welds. The IPIRG-2 programme is described to provide a clear understanding of the content, strategy, potential benefits and likely significance of the work. ((orig.))

Applications of Electrospray Ionization Mass Spectrometry in Mechanistic Studies and Catalysis Research

Czech Academy of Sciences Publication Activity Database

Schröder, Detlef

2012-01-01

Roč. 45, č. 9 (2012), s. 1521-1532 ISSN 0001-4842 Grant - others:European Research Council(XE) AdG HORIZOMS Institutional support: RVO:61388963 Keywords : cross - coupling reactions * Baylis–Hillman reaction * molecular-dynamics simulations * solution-phase mechanism * gas-phase * infrared-spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 20.833, year: 2012

Phases of polymer systems in solution studied via molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Anderson, Joshua Allen [Iowa State Univ., Ames, IA (United States)

2009-05-01

Polymers are amazingly versatile molecules with a tremendous range of applications. Our lives would be very different without them. There would be no multitudes of plastic encased electronic gizmos, no latex paint on the walls and no rubber tires, just to name a few of the many commonplace polymer materials. In fact, life as we know it wouldn’t exist without polymers as two of the most essential types of molecules central to cellular life, Proteins and DNA, are both polymers! [1] With their wide range of application to a variety of uses, polymers are still a very active field in basic research. Of particular current interest is the idea of combining polymers with inorganic particles to form novel composite materials. [2] As computers are becoming faster, they are becoming all the more powerful tools for modeling and simulating real systems. With recent advances in computing on graphics processing units (GPUs) [3–7], questions can now be answered via simulation that could not even be asked before. This thesis focuses on the use of computer simulations to model novel polymerinorganic composite systems in order to predict what possible phases can form and under what conditions. The goal is to provide some direction for future experiments and to gain a deeper understanding of the fundamental physics involved. Along the way, there are some interesting and essential side-tracks in the areas of equilibrating complicated phases and accelerating the available computer power with GPU computing, both of which are necessary steps to enable the study of polymer nanocomposites.

NATO Advanced Research Workshop on Approximation by Solutions of Partial Differential Equations, Quadrature Formulae, and Related Topics

CERN Document Server

Goldstein, M; Haussmann, W; Hayman, W; Rogge, L

1992-01-01

This volume consists of the proceedings of the NATO Advanced Research Workshop on Approximation by Solutions of Partial Differential Equations, Quadrature Formulae, and Related Topics, which was held at Hanstholm, Denmark. These proceedings include the main invited talks and contributed papers given during the workshop. The aim of these lectures was to present a selection of results of the latest research in the field. In addition to covering topics in approximation by solutions of partial differential equations and quadrature formulae, this volume is also concerned with related areas, such as Gaussian quadratures, the Pompelu problem, rational approximation to the Fresnel integral, boundary correspondence of univalent harmonic mappings, the application of the Hilbert transform in two dimensional aerodynamics, finely open sets in the limit set of a finitely generated Kleinian group, scattering theory, harmonic and maximal measures for rational functions and the solution of the classical Dirichlet problem. In ...

Progress of research on the influence of alkaline cation and alkaline solution on bentonite properties

International Nuclear Information System (INIS)

Ye Weimin; Zheng Zhenji; Chen Bao; Chen Yonggui

2011-01-01

Based on the previous laboratory studies and numerical simulation on bentonite in alkaline environments, the effects of alkaline cation and alkaline solution on mineral composition, microstructure, swelling capacity and hydraulic properties of bentonite are emphasized in this paper, temperature, pH values and concentration are discussed as main affecting factors. When bentonite is exposed to alkaline cation or alkaline solution, microstructure of bentonite will be changed due to the dissolution of montmorillonite and the formation of secondary minerals, which results in the decrease of swelling pressure. The amount of the reduction of swelling pressure depends on the concentration of alkaline solution. Temperature, polyvalent cation, salinity and concentration are the main factors affecting hydraulic properties of bentonite under alkaline conditions. Therefore, future research should focus on the mechanism of coupling effects of weak alkaline solutions on the mineral composition, microstructure, swelling capacity and hydraulic properties of bentonite under different temperatures and different pH values. (authors)

The Substitution Effect on Reaction Enthalpies of Antioxidant Mechanisms of Juglone and Its Derivatives in Gas and Solution Phase: DFT Study

Directory of Open Access Journals (Sweden)

Aymard Didier Tamafo Fouegue

2018-01-01

Full Text Available We examined the structure-reaction enthalpies-antioxidant activity relationship of the molecule library built around juglone and its derivatives at B3LYP/6-31+G(d,p level. Three major antioxidant mechanisms (hydrogen atom transfer (HAT, single electron transfer-proton transfer (SET-PT, and sequential proton loss electron transfer (SPLET have been investigated in five solvents and in the gas phase. The delocalization of the unpaired electrons in the radicals or cation radicals has been explored by the natural bond orbital analysis and the interpretation of spin density maps. The results obtained have proven that the HAT mechanism is the thermodynamically preferred mechanism in the gas phase. But, in the solution phase, the SPLET mechanism has been shown to be more predominant than HAT. The reactivity order of compounds towards selected reactive oxygen species has also been studied.

Solution-phase parallel synthesis of aryloxyimino amides via a novel multicomponent reaction among aromatic (Z)-chlorooximes, isocyanides, and electron-deficient phenols.

Science.gov (United States)

Mercalli, Valentina; Giustiniano, Mariateresa; Del Grosso, Erika; Varese, Monica; Cassese, Hilde; Massarotti, Alberto; Novellino, Ettore; Tron, Gian Cesare

2014-11-10

A library of 41 aryloxyimino amides was prepared via solution phase parallel synthesis by extending the multicomponent reaction of (Z)-chlorooximes and isocyanides to the use of electron-deficient phenols. The resulting aryloxyiminoamide derivatives can be used as intermediates for the synthesis of benzo[d]isoxazole-3-carboxamides, dramatically reducing the number of synthetic steps required by other methods reported in literature.

Exhaustive Classification of the Invariant Solutions for a Specific Nonlinear Model Describing Near Planar and Marginally Long-Wave Unstable Interfaces for Phase Transition

Science.gov (United States)

Ahangari, Fatemeh

2018-05-01

Problems of thermodynamic phase transition originate inherently in solidification, combustion and various other significant fields. If the transition region among two locally stable phases is adequately narrow, the dynamics can be modeled by an interface motion. This paper is devoted to exhaustive analysis of the invariant solutions for a modified Kuramoto-Sivashinsky equation in two spatial and one temporal dimensions is presented. This nonlinear partial differential equation asymptotically characterizes near planar interfaces, which are marginally long-wave unstable. For this purpose, by applying the classical symmetry method for this model the classical symmetry operators are attained. Moreover, the structure of the Lie algebra of symmetries is discussed and the optimal system of subalgebras, which yields the preliminary classification of group invariant solutions is constructed. Mainly, the Lie invariants corresponding to the infinitesimal symmetry generators as well as associated similarity reduced equations are also pointed out. Furthermore, the nonclassical symmetries of this nonlinear PDE are also comprehensively investigated.

NASA Research Announcement Phase 1 Report and Phase 2 Proposal for the Development of a Power Assisted Space Suit Glove Assembly

Science.gov (United States)

Cadogan, Dave; Lingo, Bob

1996-01-01

In July of 1996, ILC Dover was awarded Phase 1 of a contract for NASA to develop a prototype Power Assisted Space Suit glove to enhance the performance of astronauts during Extra-Vehicular Activity (EVA). This report summarizes the work performed to date on Phase 1, and details the work to be conducted on Phase 2 of the program. Phase 1 of the program consisted of research and review of related technical sources, concept brainstorming, baseline design development, modeling and analysis, component mock-up testing, and test data analysis. ILC worked in conjunction with the University of Maryland's Space Systems Laboratory (SSL) to develop the power assisted glove. Phase 2 activities will focus on the design maturation and the manufacture of a working prototype system. The prototype will be tested and evaluated in conjunction with existing space suit glove technology to determine the performance enhancement anticipated with the implementation of the power assisted joint technology in space suit gloves.

Study of the crystallographic phase change on copper (I) selenide thin films prepared through chemical bath deposition by varying the pH of the solution

Energy Technology Data Exchange (ETDEWEB)

Sandoval-Paz, M.G., E-mail: myrnasandoval@udec.cl [Departament of Physics, Faculty of Physical Sciences and Mathematics, University of Concepcion, Box 160-C, Concepción (Chile); Rodríguez, C.A. [Department of Materials Engineering, Faculty of Engineering, University of Concepción, Edmundo Larenas 270, Concepción 4070409 (Chile); Porcile-Saavedra, P.F. [Departament of Physics, Faculty of Physical Sciences and Mathematics, University of Concepcion, Box 160-C, Concepción (Chile); Trejo-Cruz, C. [Department of Physics, Faculty of Science, University of Biobío, Avenue Collao 1202, Box 5C, Concepción 4051381 (Chile)

2016-07-15

Copper (I) selenide thin films with orthorhombic and cubic structure were deposited on glass substrates by using the chemical bath deposition technique. The effects of the solution pH on the films growth and subsequently the structural, optical and electrical properties of the films were studied. Films with orthorhombic structure were obtained from baths wherein both metal complex and hydroxide coexist; while films with cubic structure were obtained from baths where the metal hydroxide there is no present. The structural modifications are accompanied by changes in bandgap energy, morphology and electrical resistivity of the films. - Graphical abstract: “Study of the crystallographic phase change on copper (I) selenide thin films prepared through chemical bath deposition by varying the pH of the solution” by M. G. Sandoval-Paz, C. A. Rodríguez, P. F. Porcile-Saavedra, C. Trejo-Cruz. Display Omitted - Highlights: • Copper (I) selenide thin films were obtained by chemical bath deposition. • Orthorhombic to cubic phase change was induced by varying the reaction solution pH. • Orthorhombic phase is obtained mainly from a hydroxides cluster mechanism. • Cubic phase is obtained mainly from an ion by ion mechanism. • Structural, optical and electrical properties are presented as a function of pH.

Contribution to the study of the evaporation of aqueous uranyl nitrate solutions; Contribution a l'etude de l'evaporation des solutions aqueuses de nitrate d'uranyle

Energy Technology Data Exchange (ETDEWEB)

Billy, J [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

1967-05-15

This work was carried out with a view to define the conditions under which is affected the concentration of aqueous uranyl nitrate solutions one of the steps in uranium extraction metallurgy. The first port is devoted to the experimental determination of the physical characteristics of aqueous uranyl nitrate solutions, from dilute to concentrated solutions. The second part of this work is devoted to the isothermal evaporation of solution a west ted-wall column; this chemical engineering study has been more particularly devoted to the definition of the influence of the dynamics of the liquid phase on the exchange of matter between the two phases in contact. (author) [French] La concentration par evaporation des solutions aqueuses de nitrate d'uranyle constitue une etape de la metallurgie de l'uranium dont ce travail a voulu preciser la connaissance. Dans ce but, une premiere partie a ete consacree a la determination experimentale de caracteristiques physiques des solutions aqueuses de nitrate d'uranyle, des solutions diluees aux solutions saturees. Dans une deuxieme partie, ce travail a porte sur l'evaporation isotherme des solutions dans une colonne a paroi mouillee; cette etude de genie chimique a ete plus particulierement orientee de facon a preciser l'influence de la dynamique de la phase liquide sur l'echange de matiere entre les deux phases en contact. (auteur)

Preliminary research on dual-energy X-ray phase-contrast imaging

Science.gov (United States)

Han, Hua-Jie; Wang, Sheng-Hao; Gao, Kun; Wang, Zhi-Li; Zhang, Can; Yang, Meng; Zhang, Kai; Zhu, Pei-Ping

2016-04-01

Dual-energy X-ray absorptiometry (DEXA) has been widely applied to measure the bone mineral density (BMD) and soft-tissue composition of the human body. However, the use of DEXA is greatly limited for low-Z materials such as soft tissues due to their weak absorption, while X-ray phase-contrast imaging (XPCI) shows significantly improved contrast in comparison with the conventional standard absorption-based X-ray imaging for soft tissues. In this paper, we propose a novel X-ray phase-contrast method to measure the area density of low-Z materials, including a single-energy method and a dual-energy method. The single-energy method is for the area density calculation of one low-Z material, while the dual-energy method aims to calculate the area densities of two low-Z materials simultaneously. Comparing the experimental and simulation results with the theoretical ones, the new method proves to have the potential to replace DEXA in area density measurement. The new method sets the prerequisites for a future precise and low-dose area density calculation method for low-Z materials. Supported by Major State Basic Research Development Program (2012CB825800), Science Fund for Creative Research Groups (11321503) and National Natural Science Foundation of China (11179004, 10979055, 11205189, 11205157)

Practicalization strategic research of FBR cycle

International Nuclear Information System (INIS)

2000-01-01

Practicalization strategic research of FBR cycle consists of two phases such as phase I (FY 1999-2000) and phase II (to FY 2005). In every phase, research and development plants and results are checked and reviewed. The assessment indexes are five development objects such as safety, economical efficiency, resource effective utilization, environmental load decrease and nuclear non-proliferation and technical realization, too. Reactor core, FBR plant system and fuel cycle system are investigated. We selected the research subjects of cooling materials as sodium, heavy metals (lead and lead bismuth alloy), gas (carbon dioxide and helium) and water (boiling water, power water and supercritical pressure water) and fuel types as cladding tube fuel (oxide, nitride and metal) and coated fuel particle (oxide and nitride) for helium gas cooling reactor. In FY1999, the good reactor core and FBR plant system for every cooling materials are studied. Two reprocessing (a wet reprocessing using aqueous solution and a dry method) were selected. In FY 2000, we will investigate effects of throughput, plant concept and cost and evaluate achievement of development objects and then decide the development plan. (S.Y.)

Regularity of solutions of a phase field model

KAUST Repository

Amler, Thomas; Botkin, Nikolai D.; Hoffmann, Karl Heinz; Ruf, K. A.

2013-01-01

are proved in the case of nonsmooth initial data. Continuity of solutions with respect to time is established. In particular, it is shown that the governing initial boundary value problem can be considered as a dynamical system. © 2013 International Press.

Investigation of Effect Additive Phase Change Materials on the Thermal Conductivity

Science.gov (United States)

Nakielska, Magdalena; Chalamoński, Mariusz; Pawłowski, Krzysztof

2017-10-01

The aim of worldwide policy is to reduce the amount of consumed energy and conventional fuels. An important branch of the economy that affects the energy balance of the country is construction industry. In Poland, since January 1st, 2017 new limit values have been valid regarding energy saving and thermal insulation of buildings. To meet the requirements of more and more stringent technical and environmental standards, new technological solutions are currently being looked for. When it comes to the use of new materials, phase-change materials are being widely introduced into construction industry. Thanks to phase-change materials, we can increase the amount of heat storage. Great thermal inertia of the building provides more stable conditions inside the rooms and allows the use of unconventional sources of energy such as solar energy. A way to reduce the energy consumption of the object is the use of modern solutions for ventilation systems. An example is the solar chimney, which supports natural ventilation in order to improve internal comfort of the rooms. Numerous studies are being carried out in order to determine the optimal construction of solar chimneys in terms of materials and construction parameters. One of the elements of solar chimneys is an absorption plate, which affects the amount of accumulated heat in the construction. In order to carry out the research on the thermal capacity of the absorption plate, the first research work has been already planned. The work presents the research results of a heat-transfer coefficient of the absorption plates samples made of cement, aggregate, water, and phase-change material in different volume percentage. The work also presents methodology and the research process of phase-change material samples.

Elucidating the weak protein-protein interaction mechanisms behind the liquid-liquid phase separation of a mAb solution by different types of additives.

Science.gov (United States)

Wu, Guoliang; Wang, Shujing; Tian, Zhou; Zhang, Ning; Sheng, Han; Dai, Weiguo; Qian, Feng

2017-11-01

Liquid-liquid phase separation (LLPS) has long been observed during the physical stability investigation of therapeutic protein formulations. The buffer conditions and the presence of various excipients are thought to play important roles in the formulation development of monoclonal antibodies (mAbs). In this study, the effects of several small-molecule excipients (histidine, alanine, glycine, sodium phosphate, sodium chloride, sorbitol and sucrose) with diverse physical-chemical properties on LLPS of a model IgG1 (JM2) solutions were investigated by multiple techniques, including UV-vis spectroscopy, circular dichroism, differential scanning calorimetry/fluorimetry, size exclusion chromatography and dynamic light scattering. The LLPS of JM2 was confirmed to be a thermodynamic equilibrium process with no structural changes or irreversible aggregation of proteins. Phase diagrams of various JM2 formulations were constructed, suggesting that the phase behavior of JM2 was dependent on the solution pH, ionic strength and the presence of other excipients such as glycine, alanine, sorbitol and sucrose. Furthermore, we demonstrated that for this mAb, the interaction parameter (k D ) determined at low protein concentration appeared to be a good predictor for the occurrence of LLPS at high concentration. Copyright © 2017 Elsevier B.V. All rights reserved.

Two-phase flow instrumentation research at RPI

International Nuclear Information System (INIS)

Lahey, R.T. Jr.; Krycuk, G.

1979-01-01

Novel instrumentation for the measurement of void fraction and phase velocity was developed. An optical digital interferometer and a dual beam x-ray equipment were designed for detection of voids. Pitot tube measurements were made to understand two-phase flow phenomena in liquid phase velocity

Small business innovation research. Abstracts of completed 1987 phase 1 projects

Science.gov (United States)

1989-01-01

Non-proprietary summaries of Phase 1 Small Business Innovation Research (SBIR) projects supported by NASA in the 1987 program year are given. Work in the areas of aeronautical propulsion, aerodynamics, acoustics, aircraft systems, materials and structures, teleoperators and robotics, computer sciences, information systems, spacecraft systems, spacecraft power supplies, spacecraft propulsion, bioastronautics, satellite communication, and space processing are covered.

Effect of solution annealing temperature on precipitation in 2205 duplex stainless steel

International Nuclear Information System (INIS)

Kashiwar, A.; Vennela, N. Phani; Kamath, S.L.; Khatirkar, R.K.

2012-01-01

In the present study, effect of solution annealing temperature (1050 °C and 1100 °C) and isothermal ageing (700 °C: 15 min to 6 h) on the microstructural changes in 2205 duplex stainless steel has been investigated systematically. Scanning electron microscopy and X-ray diffraction were adopted to follow the microstructural evolution, while an energy dispersive spectrometer attached to scanning electron microscope was used to obtain localised chemical information of various phases. The ferritic matrix of the two phase 2205 duplex stainless steel (∼ 45% ferrite and ∼ 55% austenite) undergoes a series of metallurgical transformations during ageing—formation of secondary austenite (γ 2 ) and precipitation of Cr and Mo rich intermetallic (chi-χ and sigma-σ) phases. For solution annealing at 1050 °C, significant amount of carbides were observed in the ferrite grains after 1 h of ageing at 700 °C. χ Phase precipitated after the precipitation of carbides—preferentially at the ferrite–ferrite and also at the ferrite–austenite boundaries. σ Phase was not observed in significant quantity even after 6 h of ageing. The sequence of precipitation in samples solution annealed at 1050 °C was found to be carbides → χ → σ. On the contrary, for samples solution annealed at 1100 °C, the precipitation of χ phase was negligible. χ Phase precipitated before σ phase, preferentially along the ferrite–ferrite grain boundaries and was later consumed in the σ phase precipitation. The σ phase precipitated via the eutectoid transformation of ferrite to yield secondary austenite γ 2 and σ phase in the ferrite and along the ferrite–austenite grain boundaries. An increase in the volume fraction of γ 2 and σ phase with simultaneous decrease in the ferrite was evidenced with ageing. - Highlights: ► Effect of solution annealing temperature on microstructural evolution is studied. ► χ Phase precipitated preferentially in the samples solution annealed at

Effect of solution annealing temperature on precipitation in 2205 duplex stainless steel

Energy Technology Data Exchange (ETDEWEB)

Kashiwar, A., E-mail: akashiwar@gmail.com [Department of Metallurgical and Materials Engineering, Visvesvaraya National Institute of Technology (VNIT), South Ambazari Road, Nagpur-440010, Maharashtra (India); Vennela, N. Phani, E-mail: phanivennela@gmail.com [Department of Metallurgical and Materials Engineering, Visvesvaraya National Institute of Technology (VNIT), South Ambazari Road, Nagpur-440010, Maharashtra (India); Kamath, S.L., E-mail: kamath@iitb.ac.in [Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay (IITB), Powai, Mumbai-400076, Maharashtra (India); Khatirkar, R.K., E-mail: rajesh.khatirkar@gmail.com [Department of Metallurgical and Materials Engineering, Visvesvaraya National Institute of Technology (VNIT), South Ambazari Road, Nagpur-440010, Maharashtra (India)

2012-12-15

In the present study, effect of solution annealing temperature (1050 Degree-Sign C and 1100 Degree-Sign C) and isothermal ageing (700 Degree-Sign C: 15 min to 6 h) on the microstructural changes in 2205 duplex stainless steel has been investigated systematically. Scanning electron microscopy and X-ray diffraction were adopted to follow the microstructural evolution, while an energy dispersive spectrometer attached to scanning electron microscope was used to obtain localised chemical information of various phases. The ferritic matrix of the two phase 2205 duplex stainless steel ({approx} 45% ferrite and {approx} 55% austenite) undergoes a series of metallurgical transformations during ageing-formation of secondary austenite ({gamma}{sub 2}) and precipitation of Cr and Mo rich intermetallic (chi-{chi} and sigma-{sigma}) phases. For solution annealing at 1050 Degree-Sign C, significant amount of carbides were observed in the ferrite grains after 1 h of ageing at 700 Degree-Sign C. {chi} Phase precipitated after the precipitation of carbides-preferentially at the ferrite-ferrite and also at the ferrite-austenite boundaries. {sigma} Phase was not observed in significant quantity even after 6 h of ageing. The sequence of precipitation in samples solution annealed at 1050 Degree-Sign C was found to be carbides {yields} {chi} {yields} {sigma}. On the contrary, for samples solution annealed at 1100 Degree-Sign C, the precipitation of {chi} phase was negligible. {chi} Phase precipitated before {sigma} phase, preferentially along the ferrite-ferrite grain boundaries and was later consumed in the {sigma} phase precipitation. The {sigma} phase precipitated via the eutectoid transformation of ferrite to yield secondary austenite {gamma}{sub 2} and {sigma} phase in the ferrite and along the ferrite-austenite grain boundaries. An increase in the volume fraction of {gamma}{sub 2} and {sigma} phase with simultaneous decrease in the ferrite was evidenced with ageing. - Highlights

Methods for partial differential equations qualitative properties of solutions, phase space analysis, semilinear models

CERN Document Server

Ebert, Marcelo R

2018-01-01

This book provides an overview of different topics related to the theory of partial differential equations. Selected exercises are included at the end of each chapter to prepare readers for the “research project for beginners” proposed at the end of the book. It is a valuable resource for advanced graduates and undergraduate students who are interested in specializing in this area. The book is organized in five parts: In Part 1 the authors review the basics and the mathematical prerequisites, presenting two of the most fundamental results in the theory of partial differential equations: the Cauchy-Kovalevskaja theorem and Holmgren's uniqueness theorem in its classical and abstract form. It also introduces the method of characteristics in detail and applies this method to the study of Burger's equation. Part 2 focuses on qualitative properties of solutions to basic partial differential equations, explaining the usual properties of solutions to elliptic, parabolic and hyperbolic equations for the archetypes...

Purification of biomaterials by phase partitioning

Science.gov (United States)

Harris, J. M.

1984-01-01

A technique which is particularly suited to microgravity environments and which is potentially more powerful than electrophoresis is phase partitioning. Phase partitioning is purification by partitioning between the two immiscible aqueous layers formed by solution of the polymers poly(ethylene glycol) and dextran in water. This technique proved to be very useful for separations in one-g but is limited for cells because the cells are more dense than the phase solutions thus tend to sediment to the bottom of the container before reaching equilibrium with the preferred phase. There are three phases to work in this area: synthesis of new polymers for affinity phase partitioning; development of automated apparatus for ground-based separations; and design of apparatus for performing simple phase partitioning space experiments, including examination of mechanisms for separating phases in the absence of gravity.

Clinical priorities, barriers and solutions in end-of-life cancer care research across Europe. Report from a workshop

DEFF Research Database (Denmark)

Sigurdardottir, Katrin Ruth; Haugen, Dagny Faksvåg; van der Rijt, Carin C D

2010-01-01

The PRISMA project is aiming to co-ordinate research priorities, measurement and practice in end-of-life (EOL) care in Europe. As part of PRISMA we undertook a questionnaire survey and a subsequent workshop to (1) identify clinical priorities for EOL care research in Europe and propose a future...... research agenda and (2) identify barriers to EOL care research, and possibilities and solutions to improve the research....

A positivity preserving and conservative variational scheme for phase-field modeling of two-phase flows

Science.gov (United States)

Joshi, Vaibhav; Jaiman, Rajeev K.

2018-05-01

We present a positivity preserving variational scheme for the phase-field modeling of incompressible two-phase flows with high density ratio. The variational finite element technique relies on the Allen-Cahn phase-field equation for capturing the phase interface on a fixed Eulerian mesh with mass conservative and energy-stable discretization. The mass conservation is achieved by enforcing a Lagrange multiplier which has both temporal and spatial dependence on the underlying solution of the phase-field equation. To make the scheme energy-stable in a variational sense, we discretize the spatial part of the Lagrange multiplier in the phase-field equation by the mid-point approximation. The proposed variational technique is designed to reduce the spurious and unphysical oscillations in the solution while maintaining the second-order accuracy of both spatial and temporal discretizations. We integrate the Allen-Cahn phase-field equation with the incompressible Navier-Stokes equations for modeling a broad range of two-phase flow and fluid-fluid interface problems. The coupling of the implicit discretizations corresponding to the phase-field and the incompressible flow equations is achieved via nonlinear partitioned iterative procedure. Comparison of results between the standard linear stabilized finite element method and the present variational formulation shows a remarkable reduction of oscillations in the solution while retaining the boundedness of the phase-indicator field. We perform a standalone test to verify the accuracy and stability of the Allen-Cahn two-phase solver. We examine the convergence and accuracy properties of the coupled phase-field solver through the standard benchmarks of the Laplace-Young law and a sloshing tank problem. Two- and three-dimensional dam break problems are simulated to assess the capability of the phase-field solver for complex air-water interfaces involving topological changes on unstructured meshes. Finally, we demonstrate the phase

Methods of Uranium Determination in solutions of Tributyl Phosphate and Kerosene

International Nuclear Information System (INIS)

Petrement Eguiluz, J.; Palomares Delgado, F.

1962-01-01

A new analytical method for the determination of uranium in organic solutions of tributyl phosphate and kerosene is proposed. In this method the uranium is reextracted from the aqueous phase by reduction with cadmium in acid solution. The uranium can be determined in this solution by the usual methods. In case of very diluted solutions, a direct spectrophtometrical determination of uranium in the organic phase with dibenzoylmethane is proposed. (Author) 21 refs

The Generalized Maxwell-Stefan Model Coupled with Vacancy Solution Theory of Adsorption for Diffusion in Zeolites

Directory of Open Access Journals (Sweden)

Seyyed Milad Salehi

2014-01-01

Full Text Available It seems using the Maxwell-Stefan (M-S diffusion model in combination with the vacancy solution theory (VST and the single-component adsorption data provides a superior, qualitative, and quantitative prediction of diffusion in zeolites. In the M-S formulation, thermodynamic factor (Г is an essential parameter which must be estimated by an adsorption isotherm. Researchers usually utilize the simplest form of adsorption isotherms such as Langmuir or improved dual-site Langmuir, which eventually cannot predict the real behavior of mixture diffusion particularly at high concentrations of adsorbates because of ignoring nonideality in the adsorbed phase. An isotherm model with regard to the real behavior of the adsorbed phase, which is based on the vacancy solution theory (VST and considers adsorbate-adsorbent interactions, is employed. The objective of this study is applying vacancy solution theory to pure component data, calculating thermodynamic factor (Г, and finally evaluating the simulation results by comparison with literature. Vacancy solution theory obviously predicts thermodynamic factor better than simple models such as dual-site Langmuir.

Exact solution for a two-phase Stefan problem with variable latent heat and a convective boundary condition at the fixed face

Science.gov (United States)

Bollati, Julieta; Tarzia, Domingo A.

2018-04-01

Recently, in Tarzia (Thermal Sci 21A:1-11, 2017) for the classical two-phase Lamé-Clapeyron-Stefan problem an equivalence between the temperature and convective boundary conditions at the fixed face under a certain restriction was obtained. Motivated by this article we study the two-phase Stefan problem for a semi-infinite material with a latent heat defined as a power function of the position and a convective boundary condition at the fixed face. An exact solution is constructed using Kummer functions in case that an inequality for the convective transfer coefficient is satisfied generalizing recent works for the corresponding one-phase free boundary problem. We also consider the limit to our problem when that coefficient goes to infinity obtaining a new free boundary problem, which has been recently studied in Zhou et al. (J Eng Math 2017. https://doi.org/10.1007/s10665-017-9921-y).

Photo-induced isomerization of ethylene-bridged azobenzene explored by ab initio based non-adiabatic dynamics simulation: A comparative investigation of the isomerization in the gas and solution phases

Energy Technology Data Exchange (ETDEWEB)

Cao Jun; Liu Lihong; Fang Weihai [Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875 (China); Xie Zhizhong [Department of Chemistry, School of Science, Wuhan University of Technology, Wuhan 430070 (China); Zhang Yong [Department of Chemistry, Chemical Biology, and Biomedical Engineering, Stevens Institute of Technology, Castle Point on Hudson, Hoboken, New Jersey 07030 (United States)

2013-04-07

Azobenzene is one of the most widely used photoactive units and recently an ethylene-bridged azobenzene (BAB) was reported to have greatly enhanced conversion efficiency, quantum yield, and other favorable properties. As the first step towards exploring its photo-switchable character in real systems, we report here a systematic study on the photoisomerization dynamics between trans (E) and cis (Z) isomers in the gas phase and the CH{sub 3}OH solution, using ab initio based surface hopping and molecular dynamics, which is the first report of dynamics simulation to reveal the environmental effects on BAB photoreactions. Results show that while the relatively faster S{sub 1} relaxation of the photo-induced E{yields}Z process is only mildly affected by the solvent effect, the relatively slower S{sub 1} relaxation of the reverse reaction becomes even slower in the solution compared to the gas phase. The subsequent S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub E}) to Z is accelerated in solution compared to the gas phase because of avoided re-crossing to the S{sub 1} state, while the S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub Z}) to E are basically the same in both phases. Overall, the solvent effect was found to enhance the back-and-forth photo-switch efficiency between the Z and E isomers compared to the gas phase, while the quantum yields are reduced. But the solution yields of both the forward and backward photoreactions are still around 0.4. Therefore, BAB may have good photo-responsive properties if used as a photoactive unit in real systems. These results will facilitate future experimental and theoretical studies in this area to help design new azobenzene derivatives as photoactive units in biological processes, nanoscale devices, and photo-responsive materials.

The SIMRAND methodology - Simulation of Research and Development Projects

Science.gov (United States)

Miles, R. F., Jr.

1984-01-01

In research and development projects, a commonly occurring management decision is concerned with the optimum allocation of resources to achieve the project goals. Because of resource constraints, management has to make a decision regarding the set of proposed systems or tasks which should be undertaken. SIMRAND (Simulation of Research and Development Projects) is a methodology which was developed for aiding management in this decision. Attention is given to a problem description, aspects of model formulation, the reduction phase of the model solution, the simulation phase, and the evaluation phase. The implementation of the considered approach is illustrated with the aid of an example which involves a simplified network of the type used to determine the price of silicon solar cells.

Research prototype of remote controlled engineering vehicle system for CBRN threat. Phase 2

International Nuclear Information System (INIS)

Uemura, Keisuke; Naruse, Masahiro; Shigematsu, Kosuke; Morishita, Masahiro

2015-01-01

This research was triggered by the nuclear accident that successively happened after the Great East Japan Earthquake. The project focuses on the Remote Controlled Engineering Vehicle System that can be used for multi purposes such as debris/obstacle clearing operation, various reconnaissance operation, under CBRN threat. In this report, we describe research prototype of remote controlled engineering vehicle system for CBRN threat (phase 2). (author)

EnergySolution's Clive Disposal Facility Operational Research Model - 13475

Energy Technology Data Exchange (ETDEWEB)

Nissley, Paul; Berry, Joanne [EnergySolutions, 2345 Stevens Dr. Richland, WA 99354 (United States)

2013-07-01

EnergySolutions owns and operates a licensed, commercial low-level radioactive waste disposal facility located in Clive, Utah. The Clive site receives low-level radioactive waste from various locations within the United States via bulk truck, containerised truck, enclosed truck, bulk rail-cars, rail boxcars, and rail inter-modals. Waste packages are unloaded, characterized, processed, and disposed of at the Clive site. Examples of low-level radioactive waste arriving at Clive include, but are not limited to, contaminated soil/debris, spent nuclear power plant components, and medical waste. Generators of low-level radioactive waste typically include nuclear power plants, hospitals, national laboratories, and various United States government operated waste sites. Over the past few years, poor economic conditions have significantly reduced the number of shipments to Clive. With less revenue coming in from processing shipments, Clive needed to keep its expenses down if it was going to maintain past levels of profitability. The Operational Research group of EnergySolutions were asked to develop a simulation model to help identify any improvement opportunities that would increase overall operating efficiency and reduce costs at the Clive Facility. The Clive operations research model simulates the receipt, movement, and processing requirements of shipments arriving at the facility. The model includes shipment schedules, processing times of various waste types, labor requirements, shift schedules, and site equipment availability. The Clive operations research model has been developed using the WITNESS{sup TM} process simulation software, which is developed by the Lanner Group. The major goals of this project were to: - identify processing bottlenecks that could reduce the turnaround time from shipment arrival to disposal; - evaluate the use (or idle time) of labor and equipment; - project future operational requirements under different forecasted scenarios. By identifying

Crystal phase transition in LixNa1-xGdF4 solid solution nanocrystals - Tuning of optical properties

KAUST Repository

Bański, Mateusz

2014-01-01

The influence of precursor composition on the crystallization of LixNa1-xGdF4 is investigated and discussed. Nanocrystals are prepared from the thermal decomposition of trifluoroacetates in the presence of trioctylphosphine oxide to provide control over particle size. A crystal phase transition from hexagonal to cubic and to tetragonal is observed by increasing lithium trifluoroacetate (Li-TFA) in the solution. Controlling the composition of LixNa1-xGdF4 nanocrystals results in modified crystal field symmetry and emission properties from doped europium (Eu3+) ions. We report that for lithium (Li+) substitution <15%, the hexagonal crystal field is preferred, while the Eu3+ emission is already tuned, whereas at higher Li+ substitution, a phase change takes place and the number of crystalline matrix defects increases which is reflected in the optical properties of Eu3+. From Eu3+ emission properties, the optimum Li+ content is determined to be ∼6.2% in the prepared LixNa1-xGdF4 nanocrystals.

New developments in two-phase flow heat transfer with emphasis on nuclear safety research

International Nuclear Information System (INIS)

Mayinger, F.

1987-01-01

The literature on two-phase flow - with and without heat transfer - shows an explosive-like growth of published papers within the last ten years. Many of these papers were published as a result of nuclear safety research. It is impossible to deal with all new developments reported in this extensive literature. So one has to ask: Are there trends of special interest, where this report could be concentrated on? Looking over the situation, there seem to be three very promising fields of research having high actuality, especially for nuclear safety, namely: fluiddynamic and thermodynamic nonequilibrium in steady state, transient conditions, and scaling. The discussion on new developments in two-phase flow heat transfer, therefore, is limited on these subjects

Numerical solution of non-linear dual-phase-lag bioheat transfer equation within skin tissues.

Science.gov (United States)

Kumar, Dinesh; Kumar, P; Rai, K N

2017-11-01

This paper deals with numerical modeling and simulation of heat transfer in skin tissues using non-linear dual-phase-lag (DPL) bioheat transfer model under periodic heat flux boundary condition. The blood perfusion is assumed temperature-dependent which results in non-linear DPL bioheat transfer model in order to predict more accurate results. A numerical method of line which is based on finite difference and Runge-Kutta (4,5) schemes, is used to solve the present non-linear problem. Under specific case, the exact solution has been obtained and compared with the present numerical scheme, and we found that those are in good agreement. A comparison based on model selection criterion (AIC) has been made among non-linear DPL models when the variation of blood perfusion rate with temperature is of constant, linear and exponential type with the experimental data and it has been found that non-linear DPL model with exponential variation of blood perfusion rate is closest to the experimental data. In addition, it is found that due to absence of phase-lag phenomena in Pennes bioheat transfer model, it achieves steady state more quickly and always predict higher temperature than thermal and DPL non-linear models. The effect of coefficient of blood perfusion rate, dimensionless heating frequency and Kirchoff number on dimensionless temperature distribution has also been analyzed. The whole analysis is presented in dimensionless form. Copyright © 2017 Elsevier Inc. All rights reserved.

Transport of organic solutes through amorphous teflon AF films.

Science.gov (United States)

Zhao, Hong; Zhang, Jie; Wu, Nianqiang; Zhang, Xu; Crowley, Katie; Weber, Stephen G

2005-11-02

Fluorous media have great potential for selective extraction (e.g., as applied to organic synthesis). Fluorous polymer films would have significant advantages in fluorous separations. Stable films of Teflon AF 2400 were cast from solution. Films appear defect-free (SEM; AFM). Rigid aromatic solutes are transported (from chloroform solution to chloroform receiving phase) in a size-dependent manner (log permeability is proportional to -0.0067 times critical volume). Benzene's permeability is about 2 orders of magnitude higher than in comparable gas-phase experiments. The films show selectivity for fluorinated solutes in comparison to the hydrogen-containing control. Transport rates are dependent on the solvent making up the source and receiving phases. The effect of solvent is, interestingly, not due to changes in partition ratio, but rather it is due to changes in the solute diffusion coefficient in the film. Solvents plasticize the films. A less volatile compound, -COOH-terminated poly(hexafluoropropylene oxide) (4), plasticizes the films (T(g) = -40 degrees C). Permeabilities are decreased in comparison to 4-free films apparently because of decreased diffusivity of solutes. The slope of dependence of log permeability on critical volume is not changed, however.

Towards the description of the phase behavior of electrolyte solutions in slit-like pores. Density functional approach for the restricted primitive model

Directory of Open Access Journals (Sweden)

O.Pizio

2004-01-01

Full Text Available We develop a density functional approach for the phase behavior of the restricted primitive model for electrolyte solutions confined to slit-like pores. The theory permits to evaluate the effects of confinement on the ionic vapor - ionic liquid coexistence envelope. We have shown that due to confinement in pores with uncharged walls the critical temperature of the model decreases compared to the bulk. Also the coexistence envelope of the transition is narrower in comparison to the bulk model. The transition between dense and dilute phase represents capillary evaporation. We have analyzed changes of the density profiles of ions during transition. Possible extensions of this study are discussed.

TAM-based external factors related to ERP solutions acceptance in organizations

Directory of Open Access Journals (Sweden)

Simona Zabukovsek

2013-01-01

Full Text Available To improve the efficiency and effectiveness of ERP solutions use, understanding of critical success factors of ERP solutions assimilation in organizations is crucial. The technology acceptance model (TAM proposed by Davis (1989 has been the most widely used model for researching user acceptance and usage of IT/IS. The purpose of this paper is to extend the original TAM with groups of external factors which impact actual ERP system use. First, we focus on ERP system use in companies’ maturity phase. Second, we expose and examine three groups of external factors which influence ERP usage. The model was empirically tested using data collected from a survey of ERP users in 44 organizations. Survey data have been collected from ERP users who have been exposed to an ERP system which has operated for more than one year. The proposed research model was analyzed using the PLS approach.

Thermodynamically Consistent Algorithms for the Solution of Phase-Field Models

KAUST Repository

Vignal, Philippe

2016-01-01

of thermodynamically consistent algorithms for time integration of phase-field models. The first part of this thesis focuses on an energy-stable numerical strategy developed for the phase-field crystal equation. This model was put forward to model microstructure

Phasing in crystallography a modern perspective

CERN Document Server

Giacovazzo, Carmelo

2014-01-01

Modern crystallographic methods originate from the synergy of two main research streams, the small-molecule and the macro-molecular streams. The first stream was able to definitively solve the phase problem for molecules up to 200 atoms in the asymmetric unit. The achievements obtained by the macromolecular stream are also impressive. A huge number of protein structures have been deposited in the Protein Data Bank. The solution of them is no longer reserved to an elite group of scientists, but may be attained in a large number of laboratories around the world, even by young scientists. New probabilistic approaches have been tailored to deal with larger structures, errors in the experimental data, and modest data resolution. Traditional phasing techniques like ab initio, molecular replacement, isomorphous replacement, and anomalous dispersion techniques have been revisited. The new approaches have been implemented in robust phasing programs, which have been organized in automatic pipelines usable even by non-e...

High-temperature experimental and thermodynamic modelling research on the pyrometallurgical processing of copper

Science.gov (United States)

Hidayat, Taufiq; Shishin, Denis; Decterov, Sergei A.; Hayes, Peter C.; Jak, Evgueni

2017-01-01